WorldWideScience

Sample records for glassy crystal state

  1. Generation and extinction of crystal nuclei in an extremely non-equilibrium glassy state of salol

    Paladi, F

    2003-01-01

    Strange generation and subsequent extinction of crystal nuclei were observed in the glassy state of salol (phenyl salicylate) during the course of ageing at very low constant-temperatures. The presence/absence of crystal nuclei within the glass were judged, by using a differential scanning calorimeter (DSC), from whether the crystal growth and fusion phenomena were observed in the following heating process or not. The liquid sample was cooled rapidly at 200 K min sup - sup 1 from 333 K above the fusion temperature down to a desired ageing temperature (T sub a) below the glass transition temperature (T sub g = 220 K), aged there for different periods (t sub a), and then heated up to 213 K at 200 K min sup - sup 1. The DSC measurement was carried out at 10 K min sup - sup 1 from 213 to 333 K. The ageing periods were taken in a range between 30 s and 316 min. At T sub a = 213 K, crystal nucleation was found to proceed for ageing longer than 100 min. No crystal nucleation was found at T sub a in between 123 and 1...

  2. On the solubility advantage of a pharmaceutical’s glassy state over the crystal state, and of its crystal polymorphs

    Johari, G.P.; Shanker, Ravi M.

    2014-01-01

    Highlights: • Heat capacity data do not yield the solubility advantage of amorphous and metastable crystal pharmaceuticals. • There is no reversible equilibrium of an amorphous solid with its saturated solution. • Solubility advantage of an amorphous solid depends upon the solvent and other interactions. - Abstract: At equilibrium, the saturation solubility and vapor pressure of a material in a state of high free energy are greater than in its state of low free energy. This knowledge from classical thermodynamics is currently used for increasing the solubility of crystalline pharmaceuticals by producing them in their glassy state, or in other solid states of high free energy. The ratio of the apparent saturation solubility of these solids to that of a crystal, calculated from the thermodynamic data of the pure solute, ϕ cal , is called the solubility advantage, and it is used as a guide for increasing the solubility of a pharmaceutical. We argue that the ϕ cal differs from the measured solubility ratio, ϕ meas , because, (i) ϕ cal is independent of the solvent, but ϕ meas is not so, (ii) ϕ cal would increase with the dissolution time monotonically to a constant value, but ϕ meas would first reach a maximum and then decrease, and (iii) approximations are made in estimating ϕ cal and the effect of thermal history on high free energy solids is ignored. On the other hand, ϕ meas is affected by, (a) another chemical equilibrium in the solution, e.g., hydrogen-bond formation and ionic dissociation, (b) the production method and thermal history of a glass or an amorphous samples, and (c) mutarotation in the solution, isomerization or tautomeric conversion in the solid. We also discuss the effects of structural relaxation and crystallization on ϕ meas . The ϕ meas value of a (crystal) polymorph would be affected by all the three, and further if the polymorph is orientationally disordered. We provide evidence for these effects from analysis of the known

  3. Thermodynamic picture of the glassy state

    Nieuwenhuizen, T.M.

    2000-01-01

    A picture for the thermodynamics of the glassy state is introduced. It assumes that one extra parameter, the effective temperature, is needed to describe the glassy state. This explains the classical paradoxes concerning the Ehrenfest relations and the Prigogine-Defay ratio. As a second feature, the

  4. How Glassy States Affect Brown Carbon Production?

    Liu, P.; Li, Y.; Wang, Y.; Bateman, A. P.; Zhang, Y.; Gong, Z.; Gilles, M. K.; Martin, S. T.

    2015-12-01

    Secondary organic material (SOM) can become light-absorbing (i.e. brown carbon) via multiphase reactions with nitrogen-containing species such as ammonia and amines. The physical states of SOM, however, potentially slow the diffusion of reactant molecules in organic matrix under conditions that semisolids or solids prevail, thus inhibiting the browning reaction pathways. In this study, the physical states and the in-particle diffusivity were investigated by measuring the evaporation kinetics of both water and organics from aromatic-derived SOMs using a quartz-crystal-microbalance (QCM). The results indicate that the SOMs derived from aromatic precursors toluene and m-xylene became solid (glassy) and the in particle diffusion was significantly impeded for sufficiently low relative humidity ( toluene-derived SOM after ammonia exposure at varied RHs. The results suggest that the production of light-absorbing nitrogen-containing compounds from multiphase reactions with ammonia was kinetically limited in the glassy organic matrix, which otherwise produce brown carbon. The results of this study have significant implications for production and optical properties of brown carbon in urban atmospheres that ultimately influence the climate and tropospheric photochemistry.

  5. Two Glass Transitions Associated to Different Dynamic Disorders in the Nematic Glassy State of a Non-Symmetric Liquid Crystal Dimer Dopped with γ-Alumina Nanoparticles

    Diez-Berart, Sergio; López, David O.; Salud, Josep; Diego, José Antonio; Sellarès, Jordi; Robles-Hernández, Beatriz; de la Fuente, María Rosario; Ros, María Blanca

    2015-01-01

    In the present work, the nematic glassy state of the non-symmetric LC dimer α-(4-cyanobiphenyl-4′-yloxy)-ω-(1-pyrenimine-benzylidene-4′-oxy) undecane is studied by means of calorimetric and dielectric measurements. The most striking result of the work is the presence of two different glass transition temperatures: one due to the freezing of the flip-flop motions of the bulkier unit of the dimer and the other, at a lower temperature, related to the freezing of the flip-flop and precessional motions of the cyanobiphenyl unit. This result shows the fact that glass transition is the consequence of the freezing of one or more coupled dynamic disorders and not of the disordered phase itself. In order to avoid crystallization when the bulk sample is cooled down, the LC dimer has been confined via the dispersion of γ-alumina nanoparticles, in several concentrations.

  6. Electrical resistivity in Zr48Nb8Cu12Fe8Be24 glassy and crystallized alloys

    Bai, H. Y.; Tong, C. Z.; Zheng, P.

    2004-02-01

    The electrical resistivity of Zr48Nb8Cu12Fe8Be24 bulk metallic glassy and crystallized alloys in the temperature range of 4.2-293 K is investigated. It is found that the resistivity in glassy and crystallized states shows opposite temperature coefficients. For the metallic glass, the resistivity shows a negative logarithmic dependence at temperatures below 16 K, whereas it has more normal behavior for the crystallized alloy. At higher temperatures, the resistivity in both glassy and crystallized alloys shows dependence upon both T and T2, but the signs of the T and T2 terms are opposite. The results are interpreted in terms of scattering from two-level tunneling states in glasses and the generalized Ziman diffraction model.

  7. Crystal-like nature of acoustic excitations in glassy ethanol

    Matic, A.; Engberg, D.; Boerjesson, L.; Masciovecchio, C.; Santucci, S.C.; Monaco, G.; Verbeni, R.

    2004-01-01

    We report on inelastic x-ray scattering experiments on crystalline and glassy phases of ethanol in order to directly compare the influence of disorder on high frequency acoustic excitations. We find that both the dispersion and the line-width of the longitudinal acoustic excitations in the glass are the same as in the polycrystal in the reciprocal space portion covering the 1st and 2nd Brillouin zones. The structural disorder is found to play little role apart from an intrinsic angular averaging, and the nature of these excitations must essentially be the same in both glass and poly crystal

  8. Thermodynamic behavior of glassy state of structurally related compounds.

    Kaushal, Aditya Mohan; Bansal, Arvind Kumar

    2008-08-01

    Thermodynamic properties of amorphous pharmaceutical forms are responsible for enhanced solubility as well as poor physical stability. The present study was designed to investigate the differences in thermodynamic parameters arising out of disparate molecular structures and associations for four structurally related pharmaceutical compounds--celecoxib, valdecoxib, rofecoxib, and etoricoxib. Conventional and modulated temperature differential scanning calorimetry were employed to study glass forming ability and thermodynamic behavior of the glassy state of model compounds. Glass transition temperature of four glassy compounds was in a close range of 327.6-331.8 K, however, other thermodynamic parameters varied considerably. Kauzmann temperature, strength parameter and fragility parameter showed rofecoxib glass to be most fragile of the four compounds. Glass forming ability of the compounds fared similar in the critical cooling rate experiments, suggesting that different factors were determining the glass forming ability and subsequent behavior of the compounds in glassy state. A comprehensive understanding of such thermodynamic facets of amorphous form would help in rationalizing the approaches towards development of stable glassy pharmaceuticals.

  9. Orbital physics in sulfur spinels: ordered, liquid and glassy ground states

    Buettgen, N; Hemberger, J; Fritsch, V; Krimmel, A; Muecksch, M; Nidda, H-A Krug von; Lunkenheimer, P; Fichtl, R; Tsurkan, V; Loidl, A

    2004-01-01

    Measurements of magnetization M(T, H), heat capacity C(T), NMR lineshift K(T) and linewidth Δ(T), neutron scattering S(Q, ω, T) and broadband dielectric spectroscopy ε(ω, T) provide experimental evidence of the different orbital ground states in the cubic sulfur spinels under investigation. In all compounds, the tetrahedrally coordinated Jahn-Teller ions Fe 2+ are characterized by a degeneracy of the orbital degrees of freedom. Particularly, we found a long-range orbital ordering in polycrystalline (PC) FeCr 2 S 4 , and a glassy freezing of the orbital degrees of freedom in FeCr 2 S 4 (single crystals) (SCs). In contrast, FeSc 2 S 4 belongs to the rare class of spin-orbital liquids, where quantum fluctuations accompanying the glassy freezing of the orbitals suppress long-range magnetic order

  10. Observation of glassy state relaxation during annealing of frozen sugar solutions by X-ray computed tomography.

    Nakagawa, Kyuya; Tamiya, Shinri; Do, Gabsoo; Kono, Shinji; Ochiai, Takaaki

    2018-06-01

    Glassy phase formation in a frozen product determines various properties of the freeze-dried products. When an aqueous solution is subjected to freezing, a glassy phase forms as a consequence of freeze-concentration. During post-freezing annealing, the relaxation of the glassy phase and the ripening of ice crystals (i.e. Ostwald ripening) spontaneously occur, where the kinetics are controlled by the annealing and glass transition temperatures. This study was motivated to observe the progress of glassy state relaxation separate from ice coarsening during annealing. X-ray computed tomography (CT) was used to observe a frozen and post-freezing annealed solutions by using monochromatized X-ray from the synchrotron radiation. CT images were successfully obtained, and the frozen matrix were analyzed based on the gray level values that were equivalent to the linear X-ray attenuation coefficients of the observed matters. The CT images obtained from rapidly frozen sucrose and dextrin solutions with different concentrations gave clear linear relationships between the linear X-ray attenuation coefficients values and the solute concentrations. It was confirmed that the glassy state relaxation progressed as increasing annealing time, and this trend was larger in the order of the glass transition temperature of the maximally freeze-concentrated phase. The sucrose-water system required nearly 20 h of annealing time at -5 °C for the completion of the glassy phase relaxation, whereas dextrin-water systems required much longer periods because of their higher glass transition temperatures. The trends of ice coarsening, however, did not perfectly correspond to the trends of the relaxation, suggesting that the glassy phase relaxation and Ostwald ripening would jointly control the ice crystal growth/ripening kinetics, and the dominant mechanism differed by the annealing stage. Copyright © 2018 Elsevier B.V. All rights reserved.

  11. Evidence for a glassy state in strongly driven carbon

    Brown, C.R.D.; Gericke, D.O.; Wunsch, K.; Cammarata, M.; Fritz, D.; Glenzer, S.H.; Heimann, P.; Lee, H.J.; Lemke, H.; Nagler, B.; Zhu, D.; Galtier, E.; Moinard, A.; Rosmej, F.B.

    2014-01-01

    Here, we report results of an experiment creating a transient, highly correlated carbon state using a combination of optical and x-ray lasers. Scattered x-rays reveal a highly ordered state with an electrostatic energy significantly exceeding the thermal energy of the ions. Strong Coulomb forces are predicted to induce nucleation into a crystalline ion structure within a few picoseconds. However, we observe no evidence of such phase transition after several tens of picoseconds but strong indications for an over-correlated fluid state. The experiment suggests a much slower nucleation and points to an intermediate glassy state where the ions are frozen close to their original positions in the fluid. (authors)

  12. Time evolution of quenched state and correlation to glassy effects

    Kilic, K.; Kilic, A.; Altinkok, A.; Yetis, H.; Cetin, O.; Durust, Y.

    2005-01-01

    In this work, dynamic changes generated by the driving current were studied in superconducting bulk polycrystalline YBCO sample via transport relaxation measurements (V-t curves). The evolution of nonlinear V-t curves was interpreted in terms of the formation of resistive and nonresistive flow channels and the spatial reorganization of the transport current in a multiply connected network of weak-link structure. The dynamic re-organization of driving current could cause an enhancement or suppression in the superconducting order parameter due to the magnitude of the driving current and coupling strength of weak-link structure along with the chemical and anisotropic states of the sample as the time proceeds. A nonzero voltage decaying with time, correlated to the quenched state, was recorded when the magnitude of initial driving current is reduced to a finite value. It was found that, after sufficiently long waiting time, the evolution of the quenched state could result in a superconducting state, depending on the magnitude of the driving current and temperature. We showed that the decays in voltage over time are consistent with an exponential time dependence which is related to the glassy state. Further, the effect of doping of organic material Bis dimethyl-glyoximato Copper (II) to YBCO could be monitored apparently via the comparison of the V-t curves corresponding to doped and undoped YBCO samples

  13. {sup 35}Cl NQR in glassy crystal, 3-chlorothiophene

    Fujimori, H., E-mail: fujimori@chs.nihon-u.ac.jp; Kaneko, T.; Asaji, T. [Nihon University, Department of Chemistry, College of Humanities and Sciences (Japan)

    2008-01-15

    {sup 35}Cl NQR measurements were carried out between 77 and 209 K for 3-chlorothiophene, which has a glass transition in a stable crystalline state. An NQR signal with full widths of about 100 kHz at half maximum was observed in this temperature range. The spin-lattice relaxation time T{sub 1} was measured at the peak frequencies. The activation energy {Delta}{epsilon}{sub a} obtained from the results of the T{sub 1} measurements showed a good agreement with those estimated from calorimetric measurements.

  14. Study of crystallization kinetics and structural relaxation behavior in phase separated Ag{sub 33}Ge{sub 17}Se{sub 50} glassy alloys

    Kumar, Praveen, E-mail: prafiziks@gmail.com [Semiconductors Laboratory, Department of Physics, GND University, Amritsar 143005 (India); Nanotechnology Research Centre, DAV Institute of Engineering and Technology, Kabir Nagar, Jalandhar 144008 (India); Yannopoulos, S.N. [Foundation for Research and Technology Hellas, Institute of Chemical Engineering and High Temperature Chemical Processes (FORTH/ICE-HT), P.O. Box 1414, GR-26 504, Rio-Patras (Greece); Sathiaraj, T.S. [Department of Physics, University of Botswana, Gaborone (Botswana); Thangaraj, R., E-mail: rthangaraj@rediffmail.com [Semiconductors Laboratory, Department of Physics, GND University, Amritsar 143005 (India)

    2012-07-16

    We report on the crystallization processes and structure (crystal phases) of Ag{sub 33}Ge{sub 17}Se{sub 50} glassy alloy using differential scanning calorimetry and x-ray diffraction techniques, respectively. The devitrification that gives rise to the first exothermic peak results in the crystallization of Ag{sub 2}Se and Ag{sub 8}GeSe{sub 6} phases, while the growth of GeSe{sub 2} accompanied by the transformation of Ag{sub 8}GeSe{sub 6} to Ag{sub 2}Se phase occurs during the second crystallization process. Different theoretical models are used to elucidate various kinetic parameters for the crystallization transformation process in this phase separated system. With annealing below the glass transition temperature, an inverse behavior between the variation of the optical gap and the band tailing parameter is observed for the thermally evaporated films. These results are explained as the mixing of different clusters/species in the amorphous state and/or changes caused by structural relaxation of the glassy network for the thermally evaporated films. - Highlights: Black-Right-Pointing-Pointer Phase separation in Ag{sub 33}Ge{sub 17}Se{sub 50} glassy alloy bordering two glass forming regions. Black-Right-Pointing-Pointer Transformation of Ag{sub 8}GeSe{sub 6} {yields} Ag{sub 2}Se along with crystallization GeSe{sub 2} phase. Black-Right-Pointing-Pointer Elucidation of various kinetic parameters for the crystalline transformation. Black-Right-Pointing-Pointer Structural relaxation in thermally evaporated films by optical spectroscopy.

  15. Laser irradiation and thermal treatment inducing selective crystallization in Sb2O3-Sb2S3 glassy films

    Avila, L. F.; Pradel, A.; Ribeiro, S. J. L.; Messaddeq, Y.; Nalin, M.

    2015-02-01

    The influence of both thermal treatment and laser irradiation on the structural and optical properties of films in the Sb2O3-Sb2S3 system was investigated. The films were prepared by RF-sputtering using glass compositions as raw materials. Irreversible photodarkening effect was observed after exposure the films to a 458 nm solid state laser. It is shown, for the first time, the use of holographic technique to measure "in situ", simultaneously and independently, the phase and amplitude modulations in glassy films. The films were also photo-crystallized and analysed "in situ" using a laser coupled to a micro-Raman equipment. Results showed that Sb2S3 crystalline phase was obtained after irradiation. The effect of thermal annealing on the structure of the films was carried out. Different from the result obtained by irradiation, thermal annealing induces the crystallization of the Sb2O3 phase. Photo and thermal induced effects on films were studied using UV-Vis and Raman spectroscopy, atomic force microscopy (AFM), thermal analysis (DSC), X-ray diffraction, scanning electron microscopy (MEV) and energy-dispersive X-ray spectroscopy (EDX).

  16. Formulation of thermodynamics for the glassy state : Configurational energy as a modest source of energy

    Nieuwenhuizen, T.M.

    2001-01-01

    Glass is an under-cooled liquid that very slowly relaxes towards the equilibrium crystalline state. Its energy balance is ill understood, since it is widely believed that the glassy state cannot be described thermodynamically. However, the classical paradoxes involving the Ehrenfest relations and

  17. Polyamorphism in Water: Amorphous Ices and their Glassy States

    Amann-Winkel, K.; Boehmer, R.; Fujara, F.; Gainaru, C.; Geil, B.; Loerting, T.

    2015-12-01

    Water is ubiquitous and of general importance for our environment. But it is also known as the most anomalous liquid. The fundamental origin of the numerous anomalies of water is still under debate. An understanding of these anomalous properties of water is closely linked to an understanding of the phase diagram of the metastable non-crystalline states of ice. The process of pressure induced amorphization of ice was first observed by Mishima et al. [1]. The authors pressurized hexagonal ice at 77 K up to a pressure of 1.6 GPa to form high density amorphous ice (HDA). So far three distinct structural states of amorphous water are known [2], they are called low- (LDA), high- (HDA) and very high density amorphous ice (VHDA). Since the discovery of multiple distinct amorphous states it is controversy discussed whether this phenomenon of polyamorphism at high pressures is connected to the occurrence of more than one supercooled liquid phase [3]. Alternatively, amorphous ices have been suggested to be of nanocrystalline nature, unrelated to liquids. Indeed inelastic X-ray scattering measurements indicate sharp crystal-like phonons in the amorphous ices [4]. In case of LDA the connection to the low-density liquid (LDL) was inferred from several experiments including the observation of a calorimetric glass-to-liquid transition at 136 K and ambient pressure [5]. Recently also the glass transition in HDA was observed at 116 K at ambient pressure [6] and at 140 K at elevated pressure of 1 GPa [7], using calorimetric measurements as well as dielectric spectroscopy. We discuss here the general importance of amorphous ices and their liquid counterparts and present calorimetric and dielectric measurements on LDA and HDA. The good agreement between dielectric and calorimetric results convey for a clearer picture of water's vitrification phenomenon. [1] O. Mishima, L. D. Calvert, and E. Whalley, Nature 314, 76, 1985 [2] D.T. Bowron, J. L. Finney, A. Hallbrucker, et al., J. Chem

  18. Crystallized Schroedinger cat states

    Castanos, O.; Lopez-Pena, R.; Man'ko, V.I.

    1995-01-01

    Crystallized Schroedinger cat states (male and female) are introduced on the base of extension of group construction for the even and odd coherent states of the electromagnetic field oscillator. The Wigner and Q functions are calculated and some are plotted for C 2 , C 3 , C 4 , C 5 , C 3v Schroedinger cat states. Quadrature means and dispersions for these states are calculated and squeezing and correlation phenomena are studied. Photon distribution functions for these states are given explicitly and are plotted for several examples. A strong oscillatory behavior of the photon distribution function for some field amplitudes is found in the new type of states

  19. Different glassy states, as indicated by a violation of the generalized Cauchy relation

    Krueger, J K [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Britz, T [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Coutre, A le [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Baller, J [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Possart, W [Universitaet des Saarlandes, Fakultaet fuer Chemie, Pharmazie und Werkstoffwissenschaften 8.15, Gebaeude 22, D-66041 Saarbruecken (Germany); Alnot, P [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Sanctuary, R [Centre Universitaire de Luxembourg, Departement des Sciences, Laboratoire 1.19, 162a Avenue de la Faiencerie, L-1511, Luxembourg (Luxembourg)

    2003-07-01

    Using Brillouin spectroscopy as a probe for high-frequency clamped acoustic properties, a shear modulus c{sub 44}{sup {infinity}} can be measured in addition to the longitudinal modulus c{sub 11}{sup {infinity}} already well above the thermal glass transition. On slow cooling of the liquid through the thermal glass transition temperature T{sub g}, both moduli show a kink-like behaviour and the function c{sub 11}{sup {infinity}} = c{sub 11}{sup {infinity}}(c{sub 44}{sup {infinity}}) follows a generalized Cauchy relation (gCR) defined by the linear relation c{sub 11}{sup {infinity}} = 3c{sub 44}{sup {infinity}} + constant, which completely hides the glass transition. In this work we show experimentally that on fast cooling this linear transformation becomes violated within the glassy state, but that thermal ageing drives the elastic coefficients towards the gCR, i.e. towards a unique glassy state.

  20. How mechanical behavior of glassy polymers enables us to characterize melt deformation: elastic yielding in glassy state after melt stretching?

    Wang, Shi-Qing; Zhao, Zhichen; Tsige, Mesfin; Zheng, Yexin

    Fast melt deformation well above the glass transition temperature Tg is known to produce elastic stress in an entangled polymer due to the chain entropy loss at the length scale of the network mesh size. Here chains of high molecular weight are assumed to form an entanglement network so that such a polymer behaves transiently like vulcanized rubber capable of affine deformation. We consider quenching a melt-deformed glassy polymer to well below Tg to preserve the elastic stress. Upon heating such a sample to Tg, the sample can return to the shape it took before melt deformation. This is the basic principle behind the design of all polymer-based shape-memory materials. This work presents intriguing evidence based on both experiment and computer simulation that the chain network, deformed well above Tg, can drive the glassy polymer to undergo elastic yielding. Our experimental systems include polystyrene, poly(methyl methacrylate) and polycarbonate; the molecular dynamics simulation is based on Kremer-Grest bead-spring model. National Science Foundation (DMR-1444859 and DMR-1609977).

  1. Glass-forming ability and crystallization behavior of some binary and ternary Ni-based glassy alloys

    Louzguine-Luzgin, Dmitri V.; Louzguina-Luzgina, Larissa V.; Xie Guoqiang; Li Song; Zhang Wei; Inoue, Akihisa

    2008-01-01

    The purpose of the current paper is to study the influence of Ti, V, Nb, Al, Sn and Pd additions on the glass-forming ability, formation of a supercooled liquid region and a devitrification process of some Ni-Zr glassy alloys as well as to compare the results with those obtained for similar Cu-based alloys studied earlier. The Ni-based glassy alloys were investigated by using X-ray diffraction, differential scanning and isothermal calorimetries. Although the studied Ni-based alloys showed high values of the reduced glass-transition temperature of about 0.6, their glass-forming ability is quite low. This fact may be explained by low stability of the supercooled liquid against crystallization and formation of the equilibrium intermetallic compounds with a high growth rate compared to those observed in similar Cu-based alloys studied earlier. Relatively low thermal conductivity of Ni-based alloys is also found to be another factor limiting their glass-forming ability

  2. Glassy Dynamics

    Jensen, Henrik J.; Sibani, Paolo

    2007-01-01

    The term glassy dynamics is often used to refer to the extremely slow relaxation observed in several types of many component systems. The time span needed to reach a steady, time independent, state will typically be far beyond experimentally accessible time scales. When melted alloys are cooled...... down they typically do not enter a crystalline ordered state. Instead the atoms retain the amorphous arrangement characteristic of the liquid high temperature phase while the mobility of the molecules decreases very many orders of magnitude. This colossal change in the characteristic dynamical time...

  3. Encoding Gaussian Curvature in Glassy and Elastomeric Liquid Crystal Solids (Postprint)

    2016-05-04

    attention to director fields of the form n = cosψ(x2) ê1 + sinψ(x2) ê2, whose alignment angle field varies only with respect to one of the...λ−2 − λ2ν)/L2 < 0. (Online version in colour .) For a fixed two-dimensional metric, the problem of identifying equilibrium configurations that...length of 10 mm. (b) Positive (left) and negative (right) Gaussian curvature in 15µm thick glassy LC solid film at 175◦C. (Online version in colour .) (b

  4. New Scenario of Dynamical Heterogeneity in Supercooled Liquid and Glassy States of 2D Monatomic System.

    Van Hoang, Vo; Teboul, Victor; Odagaki, Takashi

    2015-12-24

    Via analysis of spatiotemporal arrangements of atoms based on their dynamics in supercooled liquid and glassy states of a 2D monatomic system with a double-well Lennard-Jones-Gauss (LJG) interaction potential, we find a new scenario of dynamical heterogeneity. Atoms with the same or very close mobility have a tendency to aggregate into clusters. The number of atoms with high mobility (and size of their clusters) increases with decreasing temperature passing over a maximum before decreasing down to zero. Position of the peak moves toward a lower temperature if mobility of atoms in clusters is lower together with an enhancement of height of the peak. In contrast, the number of atoms with very low mobility or solidlike atoms (and size of their clusters) has a tendency to increase with decreasing temperature and then it suddenly increases in the vicinity of the glass transition temperature leading to the formation of a glassy state. A sudden increase in the number of strongly correlated solidlike atoms in the vicinity of a glass transition temperature (Tg) may be an origin of a drastical increase in viscosity of the glass-forming systems approaching the glass transition. In fact, we find that the diffusion coefficient decays exponentially with a fraction of solidlike atoms exhibiting a sudden decrease in the vicinity of the glass transition region.

  5. Crystallization processes in Ni-Ti-B glassy alloys of near-ternary-eutectic composition

    Merk, N.; Morris, D.G.; Stadelmann, P.

    1987-01-01

    The crystallization kinetics and mechanisms of three Ni-Ti-B glasses have been examined with a view to elucidating the roles of chemical composition and quenched structure on behaviour. Alloys of composition near a ternary-eutectic point have been chosen because they represent a real and complex situation where several crystalline phases may form simultaneously. Crystallization processes are analysed in terms of nucleation and growth stages. Different nucleation mechanisms seem to be best explained in terms of the short range ordered structure of the quenched glass. Analysis of crystal glass interface energies indicates that it is not this energy term which controls the nucleation of crystals on annealing. Crystal growth may involve a eutectic mechanism or a single-phase mechanism controlled by interface or matrix-diffusion kinetics. Crystallization is fastest when eutectic nucleation and growth occurs. Formation of the eutectic colony requires the initial formation of the phase of complex structure followed by the phase of simpler structure

  6. Control of nucleation and crystal growth of a silicate apatitic phase in a glassy matrix

    Ligny, D.; Caurant, D.; Bardez, I.; Dussossoy, J.L.; Loiseau, P.; Neuville, D.R.

    2004-01-01

    Nucleation and growth of crystal in an oxide glass was studied in a Si B Al Zr Nd Ca Na O system. The nucleation and growth process were monitored by thermal analysis and isothermal experiments. The effect of the network modifier was studied. Therefore for a Ca rich sample the crystallization is homogeneous in the bulk showing a slow increase of crystallinity as temperature increases. On the other hand, a Na rich sample undergoes several crystallization processes in the bulk or from the surface, leading to bigger crystals. The activation energy of the viscous flow and the glass transition are of same magnitude when that of crystallization is a lot smaller. Early diffusion of element is done with a mechanism different than the configurational rearrangements of the liquid sate. The global density and small size of the crystals within the Ca rich matrix confirmed that it would be a profitable waste form for minor actinides. (authors)

  7. Determining the structural relaxation times deep in the glassy state of the pharmaceutical Telmisartan

    Adrjanowicz, K; Paluch, M [Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice (Poland); Ngai, K L [Naval Research Laboratory, Washington, DC 20375-5320 (United States)

    2010-03-31

    By using the dielectric relaxation method proposed recently by Casalini and Roland (2009 Phys. Rev. Lett. 102 035701), we were able to determine the structural alpha-relaxation times deep in the glassy state of the pharmaceutical, Telmisartan. Normally, deep in the glassy state tau{sub a}lpha is so long that it cannot be measured but tau{sub b}eta, which is usually much shorter, can be directly determined. The method basically takes advantage of the connection between the alpha-relaxation and the secondary beta-relaxation of the Johari-Goldstein kind, including a relation between their relaxation times tau{sub a}lpha and tau{sub b}eta, respectively. Thus, tau{sub a}lpha of Telmisartan were determined by monitoring the change of the dielectric beta-loss, epsilon'', with physical aging time at temperatures well below the vitrification temperature. The values of tau{sub a}lpha were compared with those expected by the coupling model (CM). Unequivocal comparison cannot be made in the case of Telmisartan because its beta-loss peak is extremely broad, and the CM predicts only an order of magnitude agreement between the primitive relaxation frequency and the beta-peak frequency. We also made an attempt to analyze all isothermal and aging susceptibility data after transformation into the electric modulus representation. The tau{sub a}lpha found in the glass state by using the method of Casalini and Roland in the modulus representation are similar to those obtained in the susceptibility representation. However, it is remarkable that the stretching parameter beta{sub KWWM} = 0.51 in the electric modulus representation gives more precise fits to the aging data than in the susceptibility representation with beta{sub KWW} = 0.61. Our results suggest that the electric modulus representation may be useful as an alternative to analyze aging data, especially in the case of highly polar glassformers having a large ratio of low frequency and high frequency dielectric

  8. Multiscale simulations of PS-SiO2 nanocomposites: from melt to glassy state.

    Mathioudakis, I G; Vogiatzis, G G; Tzoumanekas, C; Theodorou, D N

    2016-09-28

    The interaction energetics, molecular packing, entanglement network properties, segmental dynamics, and elastic constants of atactic polystyrene-amorphous silica nanocomposites in the molten and the glassy state are studied via molecular simulations using two interconnected levels of representation: (a) a coarse-grained one, wherein each polystyrene repeat unit is mapped onto a single "superatom" and the silica nanoparticle is viewed as a solid sphere. Equilibration at all length scales at this level is achieved via connectivity-altering Monte Carlo simulations. (b) A united-atom (UA) level, wherein the polymer chains are represented in terms of a united-atom forcefield and the silica nanoparticle is represented in terms of a simplified, fully atomistic model. Initial configurations for UA molecular dynamics (MD) simulations are obtained by reverse mapping well-equilibrated coarse-grained configurations. By analysing microcanonical UA MD trajectories, the polymer density profile is studied and the polymer is found to exhibit layering in the vicinity of the nanoparticle surface. An estimate of the enthalpy of mixing between polymer and nanoparticles, derived from the UA simulations, compares favourably against available experimental values. The dynamical behaviour of polystyrene (in neat and filled melt systems) is characterized in terms of bond orientation and dihedral angle time autocorrelation functions. At low concentration in the molten polymer matrix, silica nanoparticles are found to cause a slight deceleration of the segmental dynamics close to their surface compared to the bulk polymer. Well-equilibrated coarse-grained long-chain configurations are reduced to entanglement networks via topological analysis with the CReTA algorithm, yielding a slightly lower density of entanglements in the filled than in the neat systems. UA melt configurations are glassified by MD cooling. The elastic moduli of the resulting glassy nanocomposites are computed through an

  9. Time effects and glassy state behaviour in superconducting Y1Ba2Cu3O7-x

    Altinkok, A.; Yetis, H.; Olutas, M.; Kilic, K.; Kilic, A.

    2007-01-01

    The quenched disorder in the moving entity is investigated in a polycrystalline bulk sample of Y 1 Ba 2 Cu 3 O 7-x (YBCO) by slow transport relaxation measurements (V-t curves) on long time scales. The time evolution of sample voltage (V-t curve) are correlated to spatial reorganization of the driving current together with increasing or decreasing of resistive and non-resistive flow channels in a multiple connected network. In addition, it is shown that the voltage decays appearing in V-t curves are characterized by an exponential time dependence which is analogous to the glassy state relaxation

  10. Ferromagnetic bulk glassy alloys

    Inoue, Akihisa; Makino, Akihiro; Mizushima, Takao

    2000-01-01

    This paper deals with the review on the formation, thermal stability and magnetic properties of the Fe-based bulk glassy alloys in as-cast bulk and melt-spun ribbon forms. A large supercooled liquid region over 50 K before crystallization was obtained in Fe-(Al, Ga)-(P, C, B, Si), Fe-(Cr, Mo, Nb)-(Al, Ga)-(P, C, B) and (Fe, Co, Ni)-Zr-M-B (M=Ti, Hf, V, Nb, Ta, Cr, Mo and W) systems and bulk glassy alloys were produced in a thickness range below 2 mm for the Fe-(Al, Ga)-(P, C, B, Si) system and 6 mm for the Fe-Co-(Zr, Nb, Ta)-(Mo, W)-B system by copper-mold casting. The ring-shaped glassy Fe-(Al, Ga)-(P, C, B, Si) alloys exhibit much better soft magnetic properties as compared with the ring-shaped alloy made from the melt-spun ribbon because of the formation of the unique domain structure. The good combination of high glass-forming ability and good soft magnetic properties indicates the possibility of future development as a new bulk glassy magnetic material

  11. Surface states in photonic crystals

    Vojtíšek P.

    2013-05-01

    Full Text Available Among many unusual and interesting physical properties of photonic crystals (PhC, in recent years, the propagation of surface electromagnetic waves along dielectric PhC boundaries have attracted considerable attention, also in connection to their possible applications. Such surfaces states, produced with the help of specialized defects on PhC boundaries, similarly to surfaces plasmons, are localized surfaces waves and, as such, can be used in various sensing applications. In this contribution, we present our recent studies on numerical modelling of surface states (SS for all three cases of PhC dimensionality. Simulations of these states were carried out by the use of plane wave expansion (PWE method via the MIT MPB package.

  12. Nonequilibrium steady state and induced currents of a mesoscopically glassy system: interplay of resistor-network theory and Sinai physics.

    Hurowitz, Daniel; Rahav, Saar; Cohen, Doron

    2013-12-01

    We introduce an explicit solution for the nonequilibrium steady state (NESS) of a ring that is coupled to a thermal bath, and is driven by an external hot source with log-wide distribution of couplings. Having time scales that stretch over several decades is similar to glassy systems. Consequently there is a wide range of driving intensities where the NESS is like that of a random walker in a biased Brownian landscape. We investigate the resulting statistics of the induced current I. For a single ring we discuss how sign of I fluctuates as the intensity of the driving is increased, while for an ensemble of rings we highlight the fingerprints of Sinai physics on the distribution of the absolute value of I.

  13. Controllable Tamm states in magnetophotonic crystal

    Merzlikin, A.M. [Institute for Theoretical and Applied Electromagnetics, Russian Academy of Science, 13/19 Izhorskaya ul., 125412 Moscow (Russian Federation); Vinogradov, A.P. [Institute for Theoretical and Applied Electromagnetics, Russian Academy of Science, 13/19 Izhorskaya ul., 125412 Moscow (Russian Federation)]. E-mail: a-vinogr@yandex.ru; Dorofeenko, A.V. [Institute for Theoretical and Applied Electromagnetics, Russian Academy of Science, 13/19 Izhorskaya ul., 125412 Moscow (Russian Federation); Inoue, M. [Department of Electrical and Electronic Engineering, Toyohashi University of Technology, 1-1 Hibari-Ga-Oka, Tempaku, Toyohashi 441-8580 (Japan); Levy, M. [Department of Physics, Michigan Technological University, 1400 Townsend Drive Houghton, MI 49931-1295 (United States); Granovsky, A.B. [Faculty of Physics, M.V. Lomonosov Moscow State University, Vorob' evy Gory, 119992 Moscow (Russian Federation)

    2007-05-15

    We study the Tamm states existing at the interface of a 1D magnetophotonic crystal made of magneto-optic material and a material with natural anisotropy. It is shown that in such a photonic crystal (PC) Yeh's band gap may exist, which causes a special type of the Tamm state. As this state is due to magneto-optic properties, it is controllable by an external magnetic field.

  14. Controllable Tamm states in magnetophotonic crystal

    Merzlikin, A.M.; Vinogradov, A.P.; Dorofeenko, A.V.; Inoue, M.; Levy, M.; Granovsky, A.B.

    2007-01-01

    We study the Tamm states existing at the interface of a 1D magnetophotonic crystal made of magneto-optic material and a material with natural anisotropy. It is shown that in such a photonic crystal (PC) Yeh's band gap may exist, which causes a special type of the Tamm state. As this state is due to magneto-optic properties, it is controllable by an external magnetic field

  15. Pressure-induced transformations in computer simulations of glassy water

    Chiu, Janet; Starr, Francis W.; Giovambattista, Nicolas

    2013-11-01

    Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and high-density amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a low-density and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water.

  16. Molecular dynamics in supercooled liquid and glassy states of antibiotics: azithromycin, clarithromycin and roxithromycin studied by dielectric spectroscopy. Advantages given by the amorphous state.

    Adrjanowicz, K; Zakowiecki, D; Kaminski, K; Hawelek, L; Grzybowska, K; Tarnacka, M; Paluch, M; Cal, K

    2012-06-04

    Antibiotics are chemical compounds of extremely important medical role. Their history can be traced back more than one hundred years. Despite the passing time and significant progress made in pharmacy and medicine, treatment of many bacterial infections without antibiotics would be completely impossible. This makes them particularly unique substances and explains the unflagging popularity of antibiotics within the medical community. Herein, using dielectric spectroscopy we have studied the molecular mobility in the supercooled liquid and glassy states of three well-known antibiotic agents: azithromycin, clarithromycin and roxithromycin. Dielectric studies revealed a number of relaxation processes of different molecular origin. Besides the primary α-relaxation, observed above the respective glass transition temperatures of antibiotics, two secondary relaxations in the glassy state were identified. Interestingly, the fragility index as well as activation energies of the secondary processes turned out to be practically the same for all three compounds, indicating probably much the same molecular dynamics. Long-term stability of amorphous antibiotics at room temperature was confirmed by X-ray diffraction technique, and calorimetric studies were performed to evaluate the basic thermodynamic parameters. Finally, we have also checked the experimental solubility advantages given by the amorphous form of the examined antibiotics.

  17. Density of states functions for photonic crystals

    McPhedran, R.C.; McOrist, J.; Sterke, C.M. de; Nicorovici, N.A.; Botten, L.C.; Asatryan, A.A.

    2004-01-01

    We discuss density of states functions for photonic crystals, in the context of the two-dimensional problem for arrays of cylinders of arbitrary cross section. We introduce the mutual density of states (MDOS), and show that this function can be used to calculate both the local density of states (LDOS), which gives position information for emission of radiation from photonic crystals, and the spectral density of states (SDOS), which gives angular information. We establish the connection between MDOS, LDOS, SDOS and the conventional density of states, which depends only on frequency. We relate all four functions to the band structure and propagating states within the crystal, and give numerical examples of the relation between band structure and density of states functions

  18. Glassy metals

    Russew, Krassimir

    2016-01-01

    The topics discussed in this book focus on fundamental problems concerning the structural relaxation of amorphous metallic alloys, above all the possibility of studying it on the basis of viscous flow behavior and its relation to rheological anomalies, such as bend stress relaxation, thermal expansion, specific heat, density changes, and crystallization. Most relaxation studies deal with the relaxation changes of a single definite material property, and not with a wider spectrum of physical properties integrated into a common framework. This book shows that it is possible to describe these property changes on the basis of a more comprehensive theoretical understanding of their mechanism.

  19. Positron annihilation study of graphite, glassy carbon and C60/C70 fullerene

    Hasegawa, Masayuki; Kajino, Masahiro; Yamaguchi, Sadae; Iwata, Tadao; Kuramoto, Eiichi; Takenaka, Minoru.

    1992-01-01

    ACAR (Angular Correlation of Annihilation Radiation) and positron lifetime measurements have been made on, HOPG (Highly Oriented Pyrolytic Graphite), isotropic fine-grained graphite, glassy carbons and C 60 /C 70 powder. HOPG showed marked bimodality along the c-axis and anisotropy in ACAR momentum distribution, which stem from characteristic annihilation between 'interlayer' positrons and π-electrons in graphite. ACAR curves of the isotropic graphite and glassy carbons are even narrower than that of HOPG perpendicular to the c-axis. Positron lifetime of 420 and 390 - 480 psec, much longer than that of 221 psec in HOPG, were observed for the isotropic graphite and glassy carbons respectively, which are due to positron trapping in structural voids in them. Positron lifetime and ACAR width (FWHM) can be well correlated to void sizes (1.7 to 5.0 nm) of glassy carbons which have been determined by small angle neutron (SAN) scattering measurements. ACAR curves and positron lifetime of C 60 /C 70 powder agree well with those of glassy carbons. This shows that positron wave functions extend, as in the voids of glassy carbons, much wider than open spaces of the octahedral interstices of the face-centered cubic (FCC) structure of C 60 crystal and strongly suggests positron trapping in the 'soccer ball' vacancy. Possible positron states in the carbon materials are discussed with a simple model of void volume-trapping. Preliminary results on neutron irradiation damage in HOPG are also presented. (author)

  20. Thermal behavior and melt fragility number of Cu100-x Zrx glassy alloys in terms of crystallization and viscous flow

    Russew, K.; Stojanova, L.; Yankova, S.; Fazakas, E.; Varga, L. K.

    2009-01-01

    Six Cu100-xZrx amorphous alloys (x in the range 35.7 - 60 at. percent) were prepared via chill block melt spinning (CBMS) method under low pressure Helium atmosphere. Their crystallization and viscous flow behavior was studied with the aid of Perkin Elmer DSC 2C and Perkin Elmer TMS 2 devices, respectively. The viscous flow temperature dependencies at a heating rate of 20 K min-1 were interpreted on the basis of the f ree volume model. The DSC and TMS data were used to determine the fragility number m of Angell in three different ways as a function of alloy composition. It has been shown that the fragility number goes over a maximum and has a minimum at x very near to the alloy composition Cu64Zr36 in good agreement with the results of Donghua Xu et al. and Wang D et al. The experimental techniques and model interpretation used provide a tool for understanding the glass forming ability (GFA) and relaxation phenomena in metallic glasses.

  1. Thermal behavior and melt fragility number of Cu100-x Zrx glassy alloys in terms of crystallization and viscous flow

    Russew, K; Stojanova, L; Yankova, S; Fazakas, E; Varga, L K

    2009-01-01

    Six Cu 100-x Zr x amorphous alloys (x in the range 35.7 - 60 at. percent) were prepared via chill block melt spinning (CBMS) method under low pressure Helium atmosphere. Their crystallization and viscous flow behavior was studied with the aid of Perkin Elmer DSC 2C and Perkin Elmer TMS 2 devices, respectively. The viscous flow temperature dependencies at a heating rate of 20 K min -1 were interpreted on the basis of the f ree volume model. The DSC and TMS data were used to determine the fragility number m of Angell in three different ways as a function of alloy composition. It has been shown that the fragility number goes over a maximum and has a minimum at x very near to the alloy composition Cu 64 Zr 36 in good agreement with the results of Donghua Xu et al. and Wang D et al. The experimental techniques and model interpretation used provide a tool for understanding the glass forming ability (GFA) and relaxation phenomena in metallic glasses.

  2. Transport relaxation measurements and glassy state effects in superconducting MgB{sub 2}

    Olutas, M. [Abant Izzet Baysal University, Department of Physics, Turgut Gulez Research Laboratory, 14280 Bolu (Turkey)], E-mail: olutas_m@ibu.edu.tr; Yetis, H.; Altinkok, A.; Kilic, A.; Kilic, K. [Abant Izzet Baysal University, Department of Physics, Turgut Gulez Research Laboratory, 14280 Bolu (Turkey)

    2008-09-15

    Time dependent effects in superconducting MgB{sub 2} have been studied systematically for the first time by transport relaxation measurements (V-t curves) as a function of transport current (I), temperature (T) and external magnetic field (H). At very low dissipation levels (below {approx}1 {mu}V), it was observed that the sample voltage grows up smoothly in time by exhibiting the details of initial stage of relaxation process. At high dissipation levels, steady state corresponding to constant flow rate is maintained within a very short time and monitoring of details of flux dynamic evolving along sample becomes difficult on long time scales. Another interesting behavior is the appearance of voltage peak when the transport current was reduced to a finite value. After peak, it was observed that the sample voltage relaxes smoothly by leveling off within a very short time. The evolution of V-t curves suggests that formation of resistive flow channels along sample develops easily, which is quite similar to that of obtained for the superconducting ceramic samples whose grain boundaries are improved. Time dependent effects were also observed in magnetovoltage measurements (V-H curves) as the field sweep rate (dH/dt) varies. The observations were interpreted mainly in terms of flux trapping in grains.

  3. Transport relaxation measurements and glassy state effects in superconducting MgB2

    Olutas, M.; Yetis, H.; Altinkok, A.; Kilic, A.; Kilic, K.

    2008-01-01

    Time dependent effects in superconducting MgB 2 have been studied systematically for the first time by transport relaxation measurements (V-t curves) as a function of transport current (I), temperature (T) and external magnetic field (H). At very low dissipation levels (below ∼1 μV), it was observed that the sample voltage grows up smoothly in time by exhibiting the details of initial stage of relaxation process. At high dissipation levels, steady state corresponding to constant flow rate is maintained within a very short time and monitoring of details of flux dynamic evolving along sample becomes difficult on long time scales. Another interesting behavior is the appearance of voltage peak when the transport current was reduced to a finite value. After peak, it was observed that the sample voltage relaxes smoothly by leveling off within a very short time. The evolution of V-t curves suggests that formation of resistive flow channels along sample develops easily, which is quite similar to that of obtained for the superconducting ceramic samples whose grain boundaries are improved. Time dependent effects were also observed in magnetovoltage measurements (V-H curves) as the field sweep rate (dH/dt) varies. The observations were interpreted mainly in terms of flux trapping in grains

  4. Presence of glassy state and large exchange bias in nanocrystalline BiFeO3

    Srivastav, Simant Kumar; Johari, Anima; Patel, S. K. S.; Gajbhiye, N. S.

    2017-11-01

    We investigated the static and dynamic aspects of the magnetic properties for single phase nanocrystalline BiFeO3 with average crystallite size of 35 nm. The frequency dependence of the peak is observed in the real part of ac susceptibility χ‧ac vs T measurement and described well by the Vogel-Fulcher law as well as the power law. These analyses indicated the existence of cluster glass state with significant interaction among the spin clusters and results in cluster-glass like cooperative freezing at low temperature. The influence of temperature and magnetic field cooling on the exchange bias effect is investigated. A training effect is also observed. We have reported a significantly high ZFC & FC exchange bias of 200 Oe & 450 Oe at 300 K and 900 Oe & 2100 Oe at 5 K. The obtained results are interpreted in the framework of core-shell model, where the core of the BFO nanoparticles shows antiferromagnetic behavior and surrounded by CG-like ferromagnetic (FM) shell associated to uncompensated surface spins.

  5. Elastic properties of aspirin in its crystalline and glassy phases studied by micro-Brillouin scattering

    Ko, Jae-Hyeon; Lee, Kwang-Sei; Ike, Yuji; Kojima, Seiji

    2008-11-01

    The acoustic waves propagating along the direction perpendicular to the (1 0 0) cleavage plane of aspirin crystal were investigated using micro-Brillouin spectroscopy from which C11, C55 and C66 were obtained. The temperature dependence of the longitudinal acoustic waves could be explained by normal anharmonic lattice models, while the transverse acoustic waves showed an abnormal increase in the hypersonic attenuation at low temperatures indicating their coupling to local remnant dynamics. The sound velocity as well as the attenuation of the longitudinal acoustic waves of glassy aspirin showed a substantial change at ˜235 K confirming a transition from glassy to supercooled liquid state in vitreous aspirin.

  6. Time effects and glassy state behaviour in superconducting Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7-x}

    Altinkok, A.; Yetis, H.; Olutas, M.; Kilic, K. [Abant Izzet Baysal University, Department of Physics, Turgut Gulez Research Laboratory, 14280 Bolu (Turkey); Kilic, A. [Abant Izzet Baysal University, Department of Physics, Turgut Gulez Research Laboratory, 14280 Bolu (Turkey)], E-mail: kilic_a@ibu.edu.tr

    2007-10-01

    The quenched disorder in the moving entity is investigated in a polycrystalline bulk sample of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7-x} (YBCO) by slow transport relaxation measurements (V-t curves) on long time scales. The time evolution of sample voltage (V-t curve) are correlated to spatial reorganization of the driving current together with increasing or decreasing of resistive and non-resistive flow channels in a multiple connected network. In addition, it is shown that the voltage decays appearing in V-t curves are characterized by an exponential time dependence which is analogous to the glassy state relaxation.

  7. Crystal Ball evidence for new states

    Coyne, D.G.

    1981-09-01

    Evidence for three new particles observed in the Crystal Ball detector is presented. The first particle, at 3592 MeV, is seen inclusively in γ transitions from psi', and is thus a candidate for eta/sub c/'. The other two, at 1440 and 1640 MeV, are best seen in exclusive decays of psi involving a prompt γ, and are thus candidates for bound states of two gluons. Detailed reasons are presented to support the contention that these states are distinct from previously observed candidates such as E(1420). Alternative hypotheses are discussed

  8. The sorption induced glass transition in amorphous glassy polymers

    van der Vegt, N.F.A.; Wessling, Matthias; Strathmann, H.; Briels, Willem J.

    1999-01-01

    Sorption of CO2 in both the glassy and the rubbery state of an amorphous polyethylenelike polymer was investigated using molecular dynamics simulations. The temperature was chosen such that the system was in its glassy state at low solute concentrations and its rubbery state at large solute

  9. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-01-01

    Single crystals of BaFe 12 O 19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe 12 O 19 are buried in BaFe 12 O 19 +1 wt% BaCO 3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe 12 O 19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe 12 O 19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth. - Highlights: • Single crystals of BaFe 12 O 19 are grown by solid state crystal growth. • A single crystal up to ∼130 μm thick (c-axis direction) grows on the seed crystal. • The single crystal and surrounding ceramic matrix have similar composition. • Micro-Raman scattering shows the single crystal has the BaFe 12 O 19 structure.

  10. Interpretation of the Raman spectra of the glassy states of SixS1−x and SixSe1−x

    Devi, V. Radhika; Zabidi, Noriza Ahmad; Shrivastava, Keshav N.

    2013-01-01

    We use the density-functional theory to make models of Si x S y and Si x Se y for the values of x,y = 1–6. The vibrational frequencies are calculated for each model. The stable clusters are selected on the basis of positive vibrational frequencies. In the case of Si x S 1−x , the values of the vibrational frequencies calculated from the first principles for Si 2 S(triangular)cluster of atoms, 364.1 cm −1 and 380.8 cm −1 , agree with the experimentally measured values of 367 cm −1 and 381 cm −1 , indicating that Si 2 S clusters occur in the glassy state of SiS. The calculated values of the vibrational frequencies of SiSe 4 (pyramidal) which agree with the experimental Raman frequencies of glassy Si x Se 1−x are 114, 166 and 361 cm −1 . The calculated values for Si 2 Se 4 (bipyramidal) which agree with the experimental data of Si x Se 1−x are 166 and 464 cm −1 . In Si 4 Se (pyramidal) the values 246 and 304 cm −1 agree with the measured values. In Si 4 Se 2 (bipyramidal), the calculated values 162, 196 and 304 cm −1 agree with the measured values. The calculated values of 473 cm −1 for Si 6 Se 2 (bipyramidal) also agree with the experimentally measured values. We thus find that pyramidal structures are present in the amorphous Si x Se 1−x glassy state. - Highlights: • A first principles calculation is performed to calculate the vibrational frequencies. • The calculated frequencies of clusters agree with measured Raman values. • The structures, bond lengths and symmetries are determined. • The importance of Jahn–Teller effect in SiS and in SiSe is clearly seen. • The clusters of SiS and SiSe are found to stabilize in different symmetries

  11. Raman non-coincidence effect of boroxol ring: The interplay between repulsion and attraction forces in the glassy, supercooled and liquid state

    Kalampounias, Angelos G.; Papatheodorou, George N.

    2018-06-01

    Temperature dependent Raman spectra of boric oxide have been measured in a temperature range covering the glassy, supercooled and liquid state. The shift of the isotropic band assigned to boroxol rings relative to the anisotropic component upon heating the glass is measured and attributed to the Raman non-coincidence effect. The measured shift is associated with the competition between attraction and repulsion forces with increasing temperature. The relation of dephasing and orientational relaxation times to the non-coincidence effect of the condensed phases has been examined. We discuss our results in the framework of the current phenomenological status of the field in an attempt to separate the attraction and repulsion contributions corresponding to the observed non-coincidence effect.

  12. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-10-01

    Single crystals of BaFe12O19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe12O19 are buried in BaFe12O19+1 wt% BaCO3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe12O19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe12O19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth.

  13. Glassy-state stabilization of a dominant negative inhibitor anthrax vaccine containing aluminum hydroxide and glycopyranoside lipid A adjuvants.

    Hassett, Kimberly J; Vance, David J; Jain, Nishant K; Sahni, Neha; Rabia, Lilia A; Cousins, Megan C; Joshi, Sangeeta; Volkin, David B; Middaugh, C Russell; Mantis, Nicholas J; Carpenter, John F; Randolph, Theodore W

    2015-02-01

    During transport and storage, vaccines may be exposed to temperatures outside of the range recommended for storage, potentially causing efficacy losses. To better understand and prevent such losses, dominant negative inhibitor (DNI), a recombinant protein antigen for a candidate vaccine against anthrax, was formulated as a liquid and as a glassy lyophilized powder with the adjuvants aluminum hydroxide and glycopyranoside lipid A (GLA). Freeze-thawing of the liquid vaccine caused the adjuvants to aggregate and decreased its immunogenicity in mice. Immunogenicity of liquid vaccines also decreased when stored at 40°C for 8 weeks, as measured by decreases in neutralizing antibody titers in vaccinated mice. Concomitant with efficacy losses at elevated temperatures, changes in DNI structure were detected by fluorescence spectroscopy and increased deamidation was observed by capillary isoelectric focusing (cIEF) after only 1 week of storage of the liquid formulation at 40°C. In contrast, upon lyophilization, no additional deamidation after 4 weeks at 40°C and no detectable changes in DNI structure or reduction in immunogenicity after 16 weeks at 40°C were observed. Vaccines containing aluminum hydroxide and GLA elicited higher immune responses than vaccines adjuvanted with only aluminum hydroxide, with more mice responding to a single dose. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  14. Pseudobinary glassy compositions (AsSex)1-y(AsTex)y

    El Mously, M.K.; El Dem, M.B.

    1987-09-01

    The ternery glassy composition of the general formula (AsSe x ) 1-y (AsTe x ) y can be considered as a pseudobinary system at x=1, 3/2 and 5/2 and 0 ≤ y ≤ 1. The results of DTA, electrical conductivity measurements, density of such glasses as well as the X-ray diffraction of the crystallized samples have been used to confirm this point of view and to explain the presence of new phases not shown in the simple binary systems As-Se and As-Te. The possibility of transformation of the glassy network from partially polymerized state MCN (molecular cluster network) to completely polymerized state CRN (continuous random network) by mixing two structural units was also discussed. (author). 12 refs, 7 figs, 2 tabs

  15. Method for solid state crystal growth

    Nolas, George S.; Beekman, Matthew K.

    2013-04-09

    A novel method for high quality crystal growth of intermetallic clathrates is presented. The synthesis of high quality pure phase crystals has been complicated by the simultaneous formation of both clathrate type-I and clathrate type-II structures. It was found that selective, phase pure, single-crystal growth of type-I and type-II clathrates can be achieved by maintaining sufficient partial pressure of a chemical constituent during slow, controlled deprivation of the chemical constituent from the primary reactant. The chemical constituent is slowly removed from the primary reactant by the reaction of the chemical constituent vapor with a secondary reactant, spatially separated from the primary reactant, in a closed volume under uniaxial pressure and heat to form the single phase pure crystals.

  16. Resonant Photonic States in Coupled Heterostructure Photonic Crystal Waveguides

    Sabarinathan J

    2010-01-01

    Full Text Available Abstract In this paper, we study the photonic resonance states and transmission spectra of coupled waveguides made from heterostructure photonic crystals. We consider photonic crystal waveguides made from three photonic crystals A, B and C, where the waveguide heterostructure is denoted as B/A/C/A/B. Due to the band structure engineering, light is confined within crystal A, which thus act as waveguides. Here, photonic crystal C is taken as a nonlinear photonic crystal, which has a band gap that may be modified by applying a pump laser. We have found that the number of bound states within the waveguides depends on the width and well depth of photonic crystal A. It has also been found that when both waveguides are far away from each other, the energies of bound photons in each of the waveguides are degenerate. However, when they are brought close to each other, the degeneracy of the bound states is removed due to the coupling between them, which causes these states to split into pairs. We have also investigated the effect of the pump field on photonic crystal C. We have shown that by applying a pump field, the system may be switched between a double waveguide to a single waveguide, which effectively turns on or off the coupling between degenerate states. This reveals interesting results that can be applied to develop new types of nanophotonic devices such as nano-switches and nano-transistors.

  17. Two-dimensionally confined topological edge states in photonic crystals

    Barik, Sabyasachi; Miyake, Hirokazu; DeGottardi, Wade; Waks, Edo; Hafezi, Mohammad

    2016-01-01

    We present an all-dielectric photonic crystal structure that supports two-dimensionally confined helical topological edge states. The topological properties of the system are controlled by the crystal parameters. An interface between two regions of differing band topologies gives rise to topological edge states confined in a dielectric slab that propagate around sharp corners without backscattering. Three-dimensional finite-difference time-domain calculations show these edges to be confined in the out-of-plane direction by total internal reflection. Such nanoscale photonic crystal architectures could enable strong interactions between photonic edge states and quantum emitters. (paper)

  18. Thermal conductivity of Glycerol's liquid, glass, and crystal states, glass-liquid-glass transition, and crystallization at high pressures.

    Andersson, Ove; Johari, G P

    2016-02-14

    To investigate the effects of local density fluctuations on phonon propagation in a hydrogen bonded structure, we studied the thermal conductivity κ of the crystal, liquid, and glassy states of pure glycerol as a function of the temperature, T, and the pressure, p. We find that the following: (i) κcrystal is 3.6-times the κliquid value at 140 K at 0.1 MPa and 2.2-times at 290 K, and it varies with T according to 138 × T(-0.95); (ii) the ratio κliquid (p)/κliquid (0.1 MPa) is 1.45 GPa(-1) at 280 K, which, unexpectedly, is about the same as κcrystal (p)/κcrystal (0.1 MPa) of 1.42 GPa(-1) at 298 K; (iii) κglass is relatively insensitive to T but sensitive to the applied p (1.38 GPa(-1) at 150 K); (iv) κglass-T plots show an enhanced, pressure-dependent peak-like feature, which is due to the glass to liquid transition on heating; (v) continuous heating cold-crystallizes ultraviscous glycerol under pressure, at a higher T when p is high; and (vi) glycerol formed by cooling at a high p and then measured at a low p has a significantly higher κ than the glass formed by cooling at a low p. On heating at a fixed low p, its κ decreases before its glass-liquid transition range at that p is reached. We attribute this effect to thermally assisted loss of the configurational and vibrational instabilities of a glass formed at high p and recovered at low p, which is different from the usual glass-aging effect. While the heat capacity, entropy, and volume of glycerol crystal are less than those for its glass and liquid, κcrystal of glycerol, like its elastic modulus and refractive index, is higher. We discuss these findings in terms of the role of fluctuations in local density and structure, and the relations between κ and the thermodynamic quantities.

  19. A neutron-X-ray, NMR and calorimetric study of glassy Probucol synthesized using containerless techniques

    Weber, J.K.R.; Benmore, C.J.; Tailor, A.N.; Tumber, S.K.; Neuefeind, J.; Cherry, B.; Yarger, J.L.; Mou, Q.; Weber, W.; Byrn, S.R.

    2013-01-01

    Highlights: • Acoustic levitation was used to make phase-pure glassy forms of pharmaceutical compounds. • Neutrons, X-rays and NMR were used to characterize the glasses. • The glass comprised of slightly distorted molecules packed in a random network. • Potential for new drug synthesis routes is discussed. - Abstract: Acoustic levitation was used to trap 1–3 mm diameter drops of Probucol and other pharmaceutical materials in containerless conditions. Samples were studied in situ using X-ray diffraction and ex situ using neutron diffraction, NMR and DSC techniques. The materials were brought into non-equilibrium states by supersaturating solutions or by supercooling melts. The glass transition and crystallization temperatures of glassy Probucol were 29 ± 1 and 71 ± 1 °C respectively. The glassy form was stable with a shelf life of at least 8 months. A neutron/X-ray difference function of the glass showed that while molecular sub-groups remain rigid, many of the hydrogen correlations observed in the crystal become smeared out in the disordered material. The glass is principally comprised of slightly distorted Form I Probucol molecules with disordered packing rather than large changes in the individual molecular structure. Avoiding surface contact-induced nucleation provided access to highly non-equilibrium phases and enabled synthesis of phase-pure glasses

  20. A neutron-X-ray, NMR and calorimetric study of glassy Probucol synthesized using containerless techniques

    Weber, J.K.R., E-mail: rweber@anl.gov [Materials Development, Inc., Arlington Heights, IL 60004 (United States); Argonne National Laboratory, Argonne, IL 60439 (United States); Benmore, C.J. [Argonne National Laboratory, Argonne, IL 60439 (United States); Department of Physics, Arizona State University, AZ 85287 (United States); Tailor, A.N.; Tumber, S.K. [Materials Development, Inc., Arlington Heights, IL 60004 (United States); Neuefeind, J. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Cherry, B. [Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Yarger, J.L. [Department of Physics, Arizona State University, AZ 85287 (United States); Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Mou, Q. [Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Weber, W. [Department of Physics, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Byrn, S.R. [Department of Industrial and Physical Pharmacy, Purdue University, IN 47907 (United States)

    2013-10-16

    Highlights: • Acoustic levitation was used to make phase-pure glassy forms of pharmaceutical compounds. • Neutrons, X-rays and NMR were used to characterize the glasses. • The glass comprised of slightly distorted molecules packed in a random network. • Potential for new drug synthesis routes is discussed. - Abstract: Acoustic levitation was used to trap 1–3 mm diameter drops of Probucol and other pharmaceutical materials in containerless conditions. Samples were studied in situ using X-ray diffraction and ex situ using neutron diffraction, NMR and DSC techniques. The materials were brought into non-equilibrium states by supersaturating solutions or by supercooling melts. The glass transition and crystallization temperatures of glassy Probucol were 29 ± 1 and 71 ± 1 °C respectively. The glassy form was stable with a shelf life of at least 8 months. A neutron/X-ray difference function of the glass showed that while molecular sub-groups remain rigid, many of the hydrogen correlations observed in the crystal become smeared out in the disordered material. The glass is principally comprised of slightly distorted Form I Probucol molecules with disordered packing rather than large changes in the individual molecular structure. Avoiding surface contact-induced nucleation provided access to highly non-equilibrium phases and enabled synthesis of phase-pure glasses.

  1. Crystal-field-modulated magnon squeezing states in a ferromagnet

    Peng Feng

    2003-01-01

    The magnon squeezing states in some magnetic crystals allow a reduction in the quantum fluctuations of the spin component to below the zero-point quantum noise level of the coherent magnon states. It is known that there are the magnon squeezing states in an antiferromagnet. However, their generating mechanism is not suitable for the ferromagnet. In this paper, we discuss the possibility of generating the magnon squeezing states in a ferromagnet, and discuss the effect of the crystal field on the magnon squeezing states

  2. Variational Approach in the Theory of Liquid-Crystal State

    Gevorkyan, E. V.

    2018-03-01

    The variational calculus by Leonhard Euler is the basis for modern mathematics and theoretical physics. The efficiency of variational approach in statistical theory of liquid-crystal state and in general case in condensed state theory is shown. The developed approach in particular allows us to introduce correctly effective pair interactions and optimize the simple models of liquid crystals with help of realistic intermolecular potentials.

  3. Thermonuclear reactor materials composed of glassy carbons

    Kazumata, Yukio.

    1979-01-01

    Purpose: To improve the durability to plasma radiation by the use of glassy carbon as the structural materials for the first wall and the blanket in thermonuclear devices. Constitution: The glassy carbon (glass-like carbon) is obtained by forming specific organic substances into a predetermined configuration and carbonizing them by heat decomposition under special conditions. They are impermeable carbon material of 1.40 - 1.70 specific gravity, less graphitizable and being almost in isotropic crystal forms in which isotropic structure such as in graphite is scarcely observed. They have an extremely high hardness, are less likely to be damaged when exposed to radiation and have great strength and corrosion resistance. Accordingly, the service life of the reactor walls and the likes can remarkably be increased by using the materials. (Horiuchi, T.)

  4. The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation.

    Ruggiero, Michael T; Krynski, Marcin; Kissi, Eric Ofosu; Sibik, Juraj; Markl, Daniel; Tan, Nicholas Y; Arslanov, Denis; van der Zande, Wim; Redlich, Britta; Korter, Timothy M; Grohganz, Holger; Löbmann, Korbinian; Rades, Thomas; Elliott, Stephen R; Zeitler, J Axel

    2017-11-15

    The fundamental origins surrounding the dynamics of disordered solids near their characteristic glass transitions continue to be fiercely debated, even though a vast number of materials can form amorphous solids, including small-molecule organic, inorganic, covalent, metallic, and even large biological systems. The glass-transition temperature, T g , can be readily detected by a diverse set of techniques, but given that these measurement modalities probe vastly different processes, there has been significant debate regarding the question of why T g can be detected across all of them. Here we show clear experimental and computational evidence in support of a theory that proposes that the shape and structure of the potential-energy surface (PES) is the fundamental factor underlying the glass-transition processes, regardless of the frequency that experimental methods probe. Whilst this has been proposed previously, we demonstrate, using ab initio molecular-dynamics (AIMD) simulations, that it is of critical importance to carefully consider the complete PES - both the intra-molecular and inter-molecular features - in order to fully understand the entire range of atomic-dynamical processes in disordered solids. Finally, we show that it is possible to utilise this dependence to directly manipulate and harness amorphous dynamics in order to control the behaviour of such solids by using high-powered terahertz pulses to induce crystallisation and preferential crystal-polymorph growth in glasses. Combined, these findings provide compelling evidence that the PES landscape, and the corresponding energy barriers, are the ultimate controlling feature behind the atomic and molecular dynamics of disordered solids, regardless of the frequency at which they occur.

  5. New model system in radiation cryochemistry:. hyperquenched glassy water

    Bednarek, Janusz; Plonka, Andrzej; Hallbrucker, Andreas; Mayer, Erwin

    1999-08-01

    Radicals generated by high-energy irradiation of liquid water, short-lived at ambient temperature, can be studied at cryogenic temperatures after irradiating water and dilute aqueous solutions in their glassy states which can be obtained by so-called hyperquenching of the liquids at cooling rates of ˜10 6-10 7 K s -1. In the glassy states of hyperquenched dilute aqueous solutions there is no problem with phase separation and radiolysis of glassy water is quite distinct from radiolysis of polycrystalline ice obtained from liquid water on slow-cooling in liquid nitrogen.

  6. Two-phonon bound states in imperfect crystals

    Behera, S.N.; Samsur, Sk.

    1980-01-01

    The question of the occurrence of two-phonon bound states in imperfect crystals is investigated. It is shown that the anharmonicity mediated two-phonon bound state which is present in perfect crystals gets modified due to the presence of impurities. Moreover, the possibility of the occurrence of a purely impurity mediated two-phonon bound state is demonstrated. The bound state frequencies are calculated using the simple Einstein oscillator model for the host phonons. The two-phonon density of states for the imperfect crystal thus obtained has peaks at the combination and difference frequencies of two host phonons besides the peaks at the bound state frequencies. For a perfect crystal the theory predicts a single peak at the two-phonon bound state frequency in conformity with experimental observations and other theoretical calculations. Experimental data on the two-phonon infrared absorption and Raman scattering from mixed crystals of Gasub(1-c)Alsub(c)P and Gesub(1-c)Sisub(c) are analysed to provide evidence in support of impurity-mediated two-phonon bound states. The relevance of the zero frequency (difference spectrum) peak to the central peak, observed in structural phase transitions, is conjectured. (author)

  7. Ice cloud processing of ultra-viscous/glassy aerosol particles leads to enhanced ice nucleation ability

    R. Wagner

    2012-09-01

    Full Text Available The ice nucleation potential of airborne glassy aqueous aerosol particles has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 247 and 216 K. Four different solutes were used as proxies for oxygenated organic matter found in the atmosphere: raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA, levoglucosan, and a multi-component mixture of raffinose with five dicarboxylic acids and ammonium sulphate. Similar to previous experiments with citric acid aerosols, all particles were found to nucleate ice heterogeneously before reaching the homogeneous freezing threshold provided that the freezing cycles were started well below the respective glass transition temperatures of the compounds; this is discussed in detail in a separate article. In this contribution, we identify a further mechanism by which glassy aerosols can promote ice nucleation below the homogeneous freezing limit. If the glassy aerosol particles are probed in freezing cycles started only a few degrees below their respective glass transition temperatures, they enter the liquid regime of the state diagram upon increasing relative humidity (moisture-induced glass-to-liquid transition before being able to act as heterogeneous ice nuclei. Ice formation then only occurs by homogeneous freezing at elevated supersaturation levels. When ice forms the remaining solution freeze concentrates and re-vitrifies. If these ice cloud processed glassy aerosol particles are then probed in a second freezing cycle at the same temperature, they catalyse ice formation at a supersaturation threshold between 5 and 30% with respect to ice. By analogy with the enhanced ice nucleation ability of insoluble ice nuclei like mineral dusts after they nucleate ice once, we refer to this phenomenon as pre-activation. We propose a number of possible explanations for why glassy aerosol particles that have re

  8. Comparison of glassy slag waste forms produced in laboratory crucibles and in a bench-scale plasma furnace

    Feng, X.; Wronkiewicz, D.J.; Brown, N.R.; Gong, M.; Whitworth, C.; Filius, K.; Battleson, D.

    1994-01-01

    Vitrification is currently the best demonstrated available technology for the disposal of high-level radioactive wastes. An innovative vitrification approach known as minimum additive waste stabilization (MAWS) is being developed. Both homogeneous glass and glassy slags have been used in implementing MAWS. Glassy slags (vitro-ceramics) are glass-crystal composites, and they are composed of various metal oxide crystalline phases embedded in an aluminosilicate glass matrix. Glassy slags with compositions developed in crucible melts at Argonne National Laboratory (ANL) were successfully produced in a bench-scale Retech plasma centrifugal furnace (PCF) by MSE, Inc. Detailed examinations of these materials showed that the crucible melts and the PCF produced similar glass and crystalline phases. The two sets of glassy slags exhibited similar chemical durability in terms of normalized releases of their major components. The slags produced in the PCF furnace using metals were usually less oxidized, although this had no effect on the corrosion behavior of the major components of the slags. However, the normalized release rate of cerium was initially lower for the PCF slags. This difference diminished with time as the redox sates of the metal oxides in slags began to be controlled by exposure to air in the tests. Thus, the deference in cerium release due to the differences in slag redox state may be transitory. The cerium solubility is a complex function of redox state and solution pH and Eh

  9. Patterned solid state growth of barium titanate crystals

    Ugorek, Michael Stephen

    An understanding of microstructure evolution in ceramic materials, including single crystal development and abnormal/enhanced grain growth should enable more controlled final ceramic element structures. In this study, two different approaches were used to control single crystal development in a patterned array. These two methods are: (1) patterned solid state growth in BaTiO 3 ceramics, and (2) metal-mediated single crystal growth in BaTiO 3. With the patterned solid state growth technique, optical photolithography was used to pattern dopants as well as [001] and [110] BaTiO3 single crystal template arrays with a 1000 microm line pattern array with 1000 microm spacings. These patterns were subsequently used to control the matrix grain growth evolution and single crystal development in BaTiO3. It was shown that the growth kinetics can be controlled by a small initial grain size, atmosphere conditions, and the introduction of a dopant at selective areas/interfaces. By using a PO2 of 1x10-5 atm during high temperature heat treatment, the matrix coarsening has been limited (to roughly 2 times the initial grain size), while retaining single crystal boundary motion up to 0.5 mm during growth for dwell times up to 9 h at 1300°C. The longitudinal and lateral growth rates were optimized at 10--15 microm/h at 1300°C in a PO2 of 1x10 -5 atm for single crystal growth with limited matrix coarsening. Using these conditions, a patterned microstructure in BaTiO3 was obtained. With the metal-mediated single crystal growth technique, a novel approach for fabricating 2-2 single crystal/polymer composites with a kerf texture development were studied using both [001] and [110] BaTiO3 single crystals templates. By using a PO 2 of 1x10-11 atm during high temperature heat treatment, matrix coarsening was limited while enabling single crystal boundary motion up to 0.35 mm during growth between 1250°C and 1300°C with growth rates ˜ 3--4 microm/h for both single crystal orientations. By

  10. Development of n- and p-type Doped Perovskite Single Crystals Using Solid-State Single Crystal Growth (SSCG) Technique

    2017-10-09

    for AGG should be minimal. For this purpose, the seeds for AGG may also be provided externally. This process is called the solid-state single...bonding process . Figure 31 shows (a) the growth of one large single crystal from one small single crystal seed as well as (b) the growth of one...one bi-crystal seed : One large bi-crystal can be grown from one small bi-crystal by SSCG process . Fig. 32. Diffusion bonding process for

  11. Engineering topological edge states in two dimensional magnetic photonic crystal

    Yang, Bing; Wu, Tong; Zhang, Xiangdong

    2017-01-01

    Based on a perturbative approach, we propose a simple and efficient method to engineer the topological edge states in two dimensional magnetic photonic crystals. The topological edge states in the microstructures can be constructed and varied by altering the parameters of the microstructure according to the field-energy distributions of the Bloch states at the related Bloch wave vectors. The validity of the proposed method has been demonstrated by exact numerical calculations through three concrete examples. Our method makes the topological edge states "designable."

  12. Surface states in crystals with low-index surfaces

    Wang Hui-Ping; Tao Rui-Bao

    2015-01-01

    For most of the conventional crystals with low-index surfaces, the hopping between the nearest neighbor (1NN) crystal planes (CPs) is dominant and the ones from the nNN (2 ≤ n < ∞) CPs are relatively weak, considered as small perturbations. The recent theoretical analysis [1] has demonstrated the absence of surface states at the level of the hopping approximation between the 1NN CPs when the original infinite crystal has the geometric reflection symmetry (GRS) for each CP. Meanwhile, based on the perturbation theory, it has also been shown that small perturbations from the hopping between the nNN (2 ≤ n < ∞) CPs and surface relaxation have no impact on the above conclusion. However, for the crystals with strong intrinsic spin-orbit coupling (SOC), the dominant terms of intrinsic SOC associate with two 1NN bond hoppings. Thus SOC will significantly contribute the hoppings from the 1NN and/or 2NN CPs except the ones within each CP. Here, we will study the effect of the hopping between the 2NN CPs on the surface states in model crystals with three different type structures (Type I: “···–P–P–P–P–···”, Type II: “···–P–Q–P–Q–···” and Type III: “···–P=Q–P=Q–···” where P and Q indicate CPs and the signs “−” and “=” mark the distance between the 1NN CPs). In terms of analytical and numerical calculations, we study the behavior of surface states in three types after the symmetric/asymmetric hopping from the 2NN CPs is added. We analytically prove that the symmetric hopping from the 2NN CPs cannot induce surface states in Type I when each CP has only one electron mode. The numerical calculations also provide strong support for the conclusion, even up to 5NN. However, in general, the coupling from the 2NN CPs (symmetric and asymmetric) is favorable to generate surface states except Type I with single electron mode only. (paper)

  13. Crystal structure optimisation using an auxiliary equation of state

    Jackson, Adam J.; Skelton, Jonathan M.; Hendon, Christopher H.; Butler, Keith T.; Walsh, Aron

    2015-11-01

    Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy-volume curve, fitting an equation of state around the equilibrium cell volume. This is a computationally intensive process, in particular, for low-symmetry crystal structures where each isochoric optimisation involves energy minimisation over many degrees of freedom. Such procedures can be prohibitive for non-local exchange-correlation functionals or other "beyond" density functional theory electronic structure techniques, particularly where analytical gradients are not available. We present a simple approach for efficient optimisation of crystal structures based on a known equation of state. The equilibrium volume can be predicted from one single-point calculation and refined with successive calculations if required. The approach is validated for PbS, PbTe, ZnS, and ZnTe using nine density functionals and applied to the quaternary semiconductor Cu2ZnSnS4 and the magnetic metal-organic framework HKUST-1.

  14. Crystal structure optimisation using an auxiliary equation of state

    Jackson, Adam J.; Skelton, Jonathan M.; Hendon, Christopher H.; Butler, Keith T.; 3 Institute and Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of))" data-affiliation=" (Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Global E3 Institute and Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of))" >Walsh, Aron

    2015-01-01

    Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy–volume curve, fitting an equation of state around the equilibrium cell volume. This is a computationally intensive process, in particular, for low-symmetry crystal structures where each isochoric optimisation involves energy minimisation over many degrees of freedom. Such procedures can be prohibitive for non-local exchange-correlation functionals or other “beyond” density functional theory electronic structure techniques, particularly where analytical gradients are not available. We present a simple approach for efficient optimisation of crystal structures based on a known equation of state. The equilibrium volume can be predicted from one single-point calculation and refined with successive calculations if required. The approach is validated for PbS, PbTe, ZnS, and ZnTe using nine density functionals and applied to the quaternary semiconductor Cu 2 ZnSnS 4 and the magnetic metal-organic framework HKUST-1

  15. Crystal structure optimisation using an auxiliary equation of state

    Jackson, Adam J.; Skelton, Jonathan M.; Hendon, Christopher H.; Butler, Keith T. [Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Walsh, Aron, E-mail: a.walsh@bath.ac.uk [Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Global E" 3 Institute and Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of)

    2015-11-14

    Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy–volume curve, fitting an equation of state around the equilibrium cell volume. This is a computationally intensive process, in particular, for low-symmetry crystal structures where each isochoric optimisation involves energy minimisation over many degrees of freedom. Such procedures can be prohibitive for non-local exchange-correlation functionals or other “beyond” density functional theory electronic structure techniques, particularly where analytical gradients are not available. We present a simple approach for efficient optimisation of crystal structures based on a known equation of state. The equilibrium volume can be predicted from one single-point calculation and refined with successive calculations if required. The approach is validated for PbS, PbTe, ZnS, and ZnTe using nine density functionals and applied to the quaternary semiconductor Cu{sub 2}ZnSnS{sub 4} and the magnetic metal-organic framework HKUST-1.

  16. State of the art in crystal oscillators - Present and future

    Rosati, V. J.; Filler, R. L.; Schodowski, S. S.; Vig, J. R.

    It is pointed out that most military communication, navigation, surveillance and IFF systems which are currently under development require stable oscillators for frequency control and/or timing. Examples of such systems are the Single Channel Ground and Airborne Radio System (SINCGARS), MILSTAR, the Global Positioning System (GPS), the Combat Identification System (CIS), and several radar systems. In 1981, a survey and evaluation program was initiated with the aim to determine the state-of-the-art of both TCXOs (temperature compensated crystal oscillators) and OCXOs (oven controlled crystal oscillators). This program is continuing. The results obtained to date are considered because they can provide useful guidance to system users on the availability of stable oscillators.

  17. Interpretation of the Raman spectra of the glassy states of Si{sub x}S{sub 1−x} and Si{sub x}Se{sub 1−x}

    Devi, V. Radhika [M.L.R. Institute of Technology, Affiliated to Jawaharlal Nehru Technological University, Dundigal, Hyderabad 500043 (India); Zabidi, Noriza Ahmad [Department of Physics, Centre for Defence Foundation Studies, National Defence University of Malaysia, Kem Sungai Besi, Kuala Lumpur 57000 (Malaysia); Shrivastava, Keshav N., E-mail: keshav1001@yahoo.com [School of Physics, University of Hyderabad, Hyderabad 50046 (India); Department of Physics, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2013-09-16

    We use the density-functional theory to make models of Si{sub x}S{sub y} and Si{sub x}Se{sub y} for the values of x,y = 1–6. The vibrational frequencies are calculated for each model. The stable clusters are selected on the basis of positive vibrational frequencies. In the case of Si{sub x}S{sub 1−x}, the values of the vibrational frequencies calculated from the first principles for Si{sub 2}S(triangular)cluster of atoms, 364.1 cm{sup −1} and 380.8 cm{sup −1}, agree with the experimentally measured values of 367 cm{sup −1} and 381 cm{sup −1}, indicating that Si{sub 2}S clusters occur in the glassy state of SiS. The calculated values of the vibrational frequencies of SiSe{sub 4} (pyramidal) which agree with the experimental Raman frequencies of glassy Si{sub x}Se{sub 1−x} are 114, 166 and 361 cm{sup −1}. The calculated values for Si{sub 2}Se{sub 4} (bipyramidal) which agree with the experimental data of Si{sub x}Se{sub 1−x} are 166 and 464 cm{sup −1}. In Si{sub 4}Se (pyramidal) the values 246 and 304 cm{sup −1} agree with the measured values. In Si{sub 4}Se{sub 2} (bipyramidal), the calculated values 162, 196 and 304 cm{sup −1} agree with the measured values. The calculated values of 473 cm{sup −1} for Si{sub 6}Se{sub 2} (bipyramidal) also agree with the experimentally measured values. We thus find that pyramidal structures are present in the amorphous Si{sub x}Se{sub 1−x} glassy state. - Highlights: • A first principles calculation is performed to calculate the vibrational frequencies. • The calculated frequencies of clusters agree with measured Raman values. • The structures, bond lengths and symmetries are determined. • The importance of Jahn–Teller effect in SiS and in SiSe is clearly seen. • The clusters of SiS and SiSe are found to stabilize in different symmetries.

  18. Isothermal equation of state of a lithium fluoride single crystal

    Kim, K.Y.

    1975-01-01

    An isothermal equation of state of a LiF single crystal was determined from length change measurements of the specimen as a function of hydrostatic pressure up to approximately 7 kbars at 28 to 41/sup 0/C. The length change was measured with an accuracy of approximately 500 A by using a Fabry Perot type He--Ne laser interferometer for a 1-m long specimen at temperatures constant to less than 0.002/sup 0/C. Several two- and three-parameter equations of state were used in analyzing the measured pressure-volume data. The computer fit for each equation of state determines not only the value of its parameters but also the standard deviations associated with them and one dependent variable, either pressure or volume. With the parameters determined, the equations of state are extrapolated to approximately 5 megabars in order to see discrepancies. Using the Born model of ionic solids, two equations of state were derived both from a power law potential and from an exponential form for the repulsive energy of alkali metal halides and used to fit the pressure-volume data of a LiF single crystal. They are also extrapolated to approximately 5 megabars. The Birch's two-parameter equation and the Grover, Getting, and Kennedy equation are indistinguishable from the two equations of state derived from the Born model for pressures approximately equal to or less than 800 kbars within +-20 kbars. The above four equations of state also fit closely the Pagannone and Drickamer static compression data, the Christian shock wave data, and the Kormer et al. shock wave data. The isothermal bulk modulus and its first pressure derivative at atmospheric pressure and 28.83/sup 0/C are 664.5 +- 0.5 kbars and 5.40 +- 0.18, respectively, in close agreement with those values ultrasonically measured by R. A. Miller and C. S. Smith. (auth)

  19. Relaxation and crystallization of amorphous carbamazepine studied by terahertz pulsed spectroscopy

    Zeitler, J Axel; Taday, Philip F; Pepper, Michael

    2007-01-01

    At the example of carbamazepine the crystallization of a small organic molecule from its amorphous phase was studied using in situ variable temperature terahertz pulsed spectroscopy (TPS). Even though terahertz spectra of disordered materials in the glassy state exhibit no distinct spectral featu...

  20. Crystallization and evaluation of hen egg-white lysozyme crystals for protein pH titration in the crystalline state.

    Iwai, Wakari; Yagi, Daichi; Ishikawa, Takuya; Ohnishi, Yuki; Tanaka, Ichiro; Niimura, Nobuo

    2008-05-01

    To observe the ionized status of the amino acid residues in proteins at different pH (protein pH titration in the crystalline state) by neutron diffraction, hen egg-white lysozyme was crystallized over a wide pH range (2.5-8.0). Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined. At pH diagram, and at pH > 4.5 the border shifted to the right (higher precipitant concentration). The qualities of these crystals were characterized using the Wilson plot method. The qualities of all crystals at different pH were more or less equivalent (B-factor values within 25-40). It is expected that neutron diffraction analysis of these crystals of different pH provides equivalent data in quality for discussions of protein pH titration in the crystalline state of hen egg-white lysozyme.

  1. Dynamics of Spontaneous Emission Controlled by Local Density of States in Photonic Crystals

    Lodahl, Peter; Nikolaev, Ivan S.; van Driel, A. Floris

    2006-01-01

    We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter.......We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter....

  2. Optical Tamm states in one-dimensional superconducting photonic crystal

    El Abouti, O. [LPMR, Département de Physique, Faculté des Sciences, Université Mohammed 1, 60000 Oujda (Morocco); El Boudouti, E. H. [LPMR, Département de Physique, Faculté des Sciences, Université Mohammed 1, 60000 Oujda (Morocco); IEMN, UMR-CNRS 8520, UFR de Physique, Université de Lille 1, 59655 Villeneuve d' Ascq (France); El Hassouani, Y. [ESIM, Département de Physique, Faculté des Sciences et Techniques, Université Moulay Ismail, Boutalamine BP 509, 52000 Errachidia (Morocco); Noual, A. [LPMR, Département de Physique, Faculté des Sciences, Université Mohammed 1, 60000 Oujda (Morocco); Ecole Normale Supérieur de Tétouan, Université Abdelmalek Essaadi, Tétouan (Morocco); Djafari-Rouhani, B. [IEMN, UMR-CNRS 8520, UFR de Physique, Université de Lille 1, 59655 Villeneuve d' Ascq (France)

    2016-08-15

    In this study, we investigate localized and resonant optical waves associated with a semi-infinite superlattice made out of superconductor-dielectric bilayers and terminated with a cap layer. Both transverse electric and transverse magnetic waves are considered. These surface modes are analogous to the so-called Tamm states associated with electronic states found at the surface of materials. The surface guided modes induced by the cap layer strongly depend on whether the superlattice ends with a superconductor or a dielectric layer, the thickness of the surface layer, the temperature of the superconductor layer as well as on the polarization of the waves. Different kinds of surface modes are found and their properties examined. These structures can be used to realize the highly sensitive photonic crystal sensors.

  3. Density of photonic states in cholesteric liquid crystals

    Dolganov, P. V.

    2015-04-01

    Density of photonic states ρ (ω ) , group vg, and phase vph velocity of light, and the dispersion relation between wave vector k , and frequency ω (k ) were determined in a cholesteric photonic crystal. A highly sensitive method (measurement of rotation of the plane of polarization of light) was used to determine ρ (ω ) in samples of different quality. In high-quality samples a drastic increase in ρ (ω ) near the boundaries of the stop band and oscillations related to Pendellösung beatings are observed. In low-quality samples photonic properties are strongly modified. The maximal value of ρ (ω ) is substantially smaller, and density of photonic states increases near the selective reflection band without oscillations in ρ (ω ) . Peculiarities of ρ (ω ) , vg, and ω (k ) are discussed. Comparison of the experimental results with theory was performed.

  4. Glassy selenium at high pressure: Le Chatelier's principle still works

    Brazhkin, V. V.; Tsiok, O. B.

    2017-10-01

    Selenium is the only easily vitrified elementary substance. Numerous experimental studies of glassy Se (g -Se) at high pressures show a large spread in the data on the compressibility and electrical resistivity of g -Se. Furthermore, H. Liu et al. [Proc. Natl. Acad. Sci. USA 105, 13229 (2008), 10.1073/pnas.0806857105] have arrived at the surprising conclusion that the volume of glass increases during pressure-induced crystallization. We have performed high-precision measurements of the specific volume and electrical resistivity of glassy selenium (g -Se) at high hydrostatic pressures up to 9 GPa. The measured bulk modulus at normal pressure is B =(9.0 5 ±0.15 ) GPa and its pressure derivative is BP'=6.4 ±0.2 . In the pressure range P <3 GPa, glassy selenium has an anomalously large negative second derivative of the bulk modulus. The electrical resistivity of g -Se decreases almost exponentially with increasing pressure and reaches 20 Ω cm at a pressure of 8.75 GPa. The inelastic behavior and weak relaxation of the volume for g -Se begin at pressures above 3.5 GPa; the volume and logarithm of the electrical resistivity relax significantly (logarithmically with the time) at pressures above 8 GPa. Bulk measurements certainly indicate that the volume of g -Se glass in the crystallization pressure range is larger than the volumes of both appearing crystalline phases (by 2% and 4%). Therefore, the "volume expansion phenomenon" suggested in [H. Liu et al., Proc. Natl. Acad. Sci. USA 105, 13229 (2008), 10.1073/pnas.0806857105] is not observed, and the pressure-induced crystallization of glassy selenium is consistent with the laws of thermodynamics.

  5. Dielectric studies of molecular motions in glassy and liquid nicotine

    Kaminski, K [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland); Paluch, M [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland); Ziolo, J [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland); Ngai, K L [Naval Research Laboratory, Washington DC 20375-5320 (United States)

    2006-06-21

    The dielectric permittivity and loss spectra of glassy and liquid states of nicotine have been measured over the frequency range 10{sup -2}-10{sup 9} Hz. The relaxation spectra are similar to common small molecular glass-forming substances, showing the structural {alpha}-relaxation and its precursor, the Johari-Goldstein {beta}-relaxation. The {alpha}-relaxation is well described by the Fourier transform of the Kohlrausch-Williams-Watts stretched exponential function with an approximately constant stretch exponent that is equal to 0.70 as the glass transition temperature is approached. The dielectric {alpha}-relaxation time measured over 11 orders of magnitude cannot be described by a single Vogel-Fulcher-Tamman-Hesse equation. The most probable Johari-Goldstein {beta}-relaxation time determined from the dielectric spectra is in good agreement with the primitive relaxation time of the coupling model calculated from parameters of the structural {alpha}-relaxation. The shape of the dielectric spectra of nicotine is compared with that of other glass-formers having about the same stretch exponent, and they are shown to be nearly isomorphic. The results indicate that the molecular dynamics of nicotine conform to the general pattern found in other glass-formers, and the presence of the universal Johari-Goldstein secondary relaxation, which plays a role in the crystallization of amorphous pharmaceuticals.

  6. Permeation of Mixed Penetrants through Glassy Polymer Membranes.

    1985-03-15

    and LOPE. Also, ESCA was used in conjunction with plasma etching to determine the effects of the gas phase fluorine concentration and fluorination...at 35 3C. ARD-AISS5 65 PERMEATION OF MIXED PENETRANTS THROUGH GLASSY POLYMER 213 MENBRANES (U) NORTH CAROLINA STATE UNIV AT RALEIGH R T CHERN ET AL. 15

  7. Crystallization and evaluation of hen egg-white lysozyme crystals for protein pH titration in the crystalline state

    Iwai, Wakari; Yagi, Daichi; Ishikawa, Takuya; Ohnishi, Yuki; Tanaka, Ichiro; Niimura, Nobuo

    2008-01-01

    Hen egg-white lysozyme was crystallized over a wide pH range (2.5–8.0) and the quality of the crystals was characterized. Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined To observe the ionized status of the amino acid residues in proteins at different pH (protein pH titration in the crystalline state) by neutron diffraction, hen egg-white lysozyme was crystallized over a wide pH range (2.5–8.0). Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined. At pH < 4.5 the border between the metastable region and the nucleation region shifted to the left (lower precipitant concentration) in the phase diagram, and at pH > 4.5 the border shifted to the right (higher precipitant concentration). The qualities of these crystals were characterized using the Wilson plot method. The qualities of all crystals at different pH were more or less equivalent (B-factor values within 25–40). It is expected that neutron diffraction analysis of these crystals of different pH provides equivalent data in quality for discussions of protein pH titration in the crystalline state of hen egg-white lysozyme

  8. Temperature effect on phase states of quartz nano-crystals in silicon single crystal

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Oxygen penetrates into the silicon lattice up to the concentration of 2·10 18 cm -3 in the course of growing [1]. By the author's opinion at a low oxygen content the formation of solid solution is possible in the local defect places of the silicon single crystal lattice due to the difference in effective ion radius of oxygen and silicon (r O 0.176 and r Si = 0.065 nm). Upon reaching some critical content (∼ 10 17 cm -3 ), it becomes favorable energetically for oxygen ions to form precipitates (SiO x ) and finally a dielectric layer (stoichiometric inclusions of SiO 2 ). It was shown later that depending on the growth conditions, indeed the quartz crystal inclusions are formed in the silicon single crystals at an amount of 0.3 /0.5 wt. % [2]. However the authors did not study a phase state of the quartz inclusions. Therefore the aim of this work was to study a phase state of the quartz inclusions in silicon crystal at various temperatures. We examined the silicon single crystals grown by Czochralski technique, which were cut in (111) plane in the form of disk of 20 mm diameter and 1.5 thickness and had hole conductivity with the specific resistance ρ o ≅ 1/10 Ohm cm. The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N 0 ≅ 2/ 4·10 17 cm -3 and N B ≅ 3*10 15 cm -3 . Structure was analyzed at the set-up DRON-UM1 with high temperature supply UVD-2000 ( CuK = 0.1542 nm) at the temperatures of 300, 1173 and 1573 K measured with platinum-platinum-rhodium thermocouple. The high temperature diffraction spectrum measured at 1573 K in the angle range (2Θ≅10/70 d egree ) there is only one main structure reflection (111) with a high intensity and d/n ≅ 0.3136 nm (2 Θ≅ 28.5 d egree ) from the matrix lattice of silicon single crystal. The weak line at 2 Θ≅ 25.5 d egree ( d/n≅0.3136 nm) is β component of the main reflection (111), and the weak structure peak at 2Θ≅59 d egree ( d/n≅ 0.1568 nm

  9. Glassy carbon based supercapacitor stacks

    Baertsch, M; Braun, A; Koetz, R; Haas, O [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Considerable effort is being made to develop electrochemical double layer capacitors (EDLC) that store relatively large quantities of electrical energy and possess at the same time a high power density. Our previous work has shown that glassy carbon is suitable as a material for capacitor electrodes concerning low resistance and high capacity requirements. We present the development of bipolar electrochemical glassy carbon capacitor stacks of up to 3 V. Bipolar stacks are an efficient way to meet the high voltage and high power density requirements for traction applications. Impedance and cyclic voltammogram measurements are reported here and show the frequency response of a 1, 2, and 3 V stack. (author) 3 figs., 1 ref..

  10. Piezoelectricity of a ferroelectric liquid crystal with a glass transition.

    Jákli, A; Tóth-Katona, T; Scharf, T; Schadt, M; Saupe, A

    2002-07-01

    Pressure-electric (hydrostatic piezoelectric) measurements are reported on bookshelf textures of a ferroelectric smectic-C (Sm C*) liquid crystal with a glass transition. The continuous variation of a partially fluid state to the solid glass enables one to trace how the piezoelectric effect depends on the consistency of the material. It was observed that in the Sm C* samples with poled glass the piezoelectric constants are comparable to conventional piezoelectric crystals and poled piezoelectric polymers. This implies their application possibilities. The magnitude of the piezoelectric constant in the glassy state depends very much on the poling conditions. The studies indicate that there are two counteracting effects, which cancel each other out in the Sm C* phase near the glass transition. Our analysis indicates that the pressure-induced director tilt change has a dominating effect both in the fluid and the glassy Sm C* states.

  11. Crystal structure and solid-state properties of discrete hexa cationic ...

    Subsequently, weight loss of 33% in two stages from 242 to 691◦C can be assigned to the decomposition of triazole ligands. 3.3 Description of the crystal structure. The solid-state structure of ZnT was unambiguously determined by the single crystal X-ray diffraction tech- nique (figures 2 and 3). Compound ZnT crystallizes in.

  12. Glass-crystal transformation under non-isothermal conditions: Kinetic analysis of the Ag{sub 0.16}As{sub 0.38}Se{sub 0.46} glassy alloy by using a new theoretical method based on nucleation and growth processes, which depend on time as a power law

    Vazquez, J., E-mail: jose.vazquez@uca.e [Departamento de Fisica de la Materia Condensada, Facultad de Ciencias, Universidad de Cadiz, Apartado 40, 11510, Puerto Real (Cadiz) (Spain); Cardenas-Leal, J.L.; Garcia-G Barreda, D.; Gonzalez-Palma, R.; Lopez-Alemany, P.L.; Villares, P. [Departamento de Fisica de la Materia Condensada, Facultad de Ciencias, Universidad de Cadiz, Apartado 40, 11510, Puerto Real (Cadiz) (Spain)

    2010-11-01

    A theoretical method, which we have published in two previous works, has been applied to the study of the glass-crystal transformation of the Ag{sub 0.16}As{sub 0.38}Se{sub 0.46} semiconductor glass under non-isothermal conditions. This method allows one to obtain an evolution equation with temperature for the actual volume fraction, to calculate the kinetic parameters of the quoted transformation, to establish the thermal process type, to determine the dimensionality of the crystal growth and to evaluate the exponents of the power laws of the time-dependence both for the nucleation frequency and for the crystal growth rate in non-isothermal transformations. The quoted method assumes the concept of extended volume of the transformed material, the condition of randomly located nuclei and the supposition of mutual interference of regions growing from separated nuclei, considering moreover the case presented in the practice of a kinetic exponent with a value larger than 4. To study the quoted case it is proposed that both the nucleation frequency and the crystal growth rate depend on time as a power law. The above-mentioned Ag{sub 0.16}As{sub 0.38}Se{sub 0.46} glassy alloy presents two exothermic peaks. The second peak gives for the kinetic exponent a value large enough than 4 and it is necessary to resort to the hypotheses of the considered method to justify the unexpectedly high value of the kinetic exponent. Following the quoted method it has been found that the thermal process type is continuous nucleation with three-dimensional growth for the two peaks of crystallization of the studied alloy. Moreover, the experimental curve of the transformed fraction shows a satisfactory agreement with the theoretical curve corresponding to the considered method, confirming the reliability of the quoted method in order to analyze the transformation kinetics of the above-mentioned alloy.

  13. Czochralski method of growing single crystals. State-of-art

    Bukowski, A.; Zabierowski, P.

    1999-01-01

    Modern Czochralski method of single crystal growing has been described. The example of Czochralski process is given. The advantages that caused the rapid progress of the method have been presented. The method limitations that motivated the further research and new solutions are also presented. As the example two different ways of the technique development has been described: silicon single crystals growth in the magnetic field; continuous liquid feed of silicon crystals growth. (author)

  14. Electronic states in crystals of finite size quantum confinement of bloch waves

    Ren, Shang Yuan

    2017-01-01

    This book presents an analytical theory of the electronic states in ideal low dimensional systems and finite crystals based on a differential equation theory approach. It provides precise and fundamental understandings on the electronic states in ideal low-dimensional systems and finite crystals, and offers new insights into some of the basic problems in low-dimensional systems, such as the surface states and quantum confinement effects, etc., some of which are quite different from what is traditionally believed in the solid state physics community. Many previous predictions have been confirmed in subsequent investigations by other authors on various relevant problems. In this new edition, the theory is further extended to one-dimensional photonic crystals and phononic crystals, and a general theoretical formalism for investigating the existence and properties of surface states/modes in semi-infinite one-dimensional crystals is developed. In addition, there are various revisions and improvements, including us...

  15. Low temperature thermal conductivities of glassy carbons

    Anderson, A.C.

    1979-01-01

    The thermal conductivity of glassy carbon in the temperature range 0.1 to 100 0 K appears to depend only on the temperature at which the material was pyrolyzed. The thermal conductivity can be related to the microscopic structure of glassy carbon. The reticulated structure is especially useful for thermal isolation at cryogenic temperatures

  16. Effect of high-order multicomponent on formation and properties of Zr-based bulk glassy alloys

    Inoue, A., E-mail: ainouebmg@yahoo.co.jp [International Institute of Green Materials, Josai International University, Togane 283-8555 (Japan); School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Department of Physics, King Abdulaziz University, Jeddah 22254 (Saudi Arabia); Wang, Z.; Louzguine-Luzgin, D.V. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Han, Y. [School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Kong, F.L. [International Institute of Green Materials, Josai International University, Togane 283-8555 (Japan); Shalaan, E.; Al-Marzouki, F. [Department of Physics, King Abdulaziz University, Jeddah 22254 (Saudi Arabia)

    2015-07-25

    Highlights: • A multicomponent Zr{sub 55}Al{sub 10}Fe{sub 6}Co{sub 6}Ni{sub 6}Cu{sub 6}Pd{sub 6}Ag{sub 5} bulk glassy alloy was formed. • The high-order multiplication suppression of the decrease in mechanical strength. • The BGAs show good corrosion resistance and slow growth rate of primary precipitates. - Abstract: We examined the formation, thermal stability, mechanical properties and corrosion behavior of a multicomponent Zr{sub 55}Al{sub 10}Fe{sub 6}Co{sub 6}Ni{sub 6}Cu{sub 6}Pd{sub 6}Ag{sub 5} bulk glassy alloy, with the aim of clarifying the effect of high-order multiplication of the number of components on their properties. The bulk glassy alloy rods of 2 and 6 mm in diameter were formed by suction casting even at the low total content of typical glass-forming 3-d late transition metals like Co, Ni and Cu. The Vickers hardness is different in the center region and in the outer surface region. The difference seems to reflect the relaxation level of glassy structure. The Young’s modulus and the compressive fracture strength are nearly the same for the base Zr{sub 55}Al{sub 10}Ni{sub 5}Cu{sub 30} alloy in spite of the existence of immiscible atomic pairs. Moreover, the multicomponent alloy exhibits better corrosion resistance than that for the base alloy. The glassy phase changes to a supercooled liquid state at 720 K and then starts to crystallize at 754 K with a single exothermic peak, in contrast to the appearance of a wide supercooled liquid region for the base alloy. The primary crystalline phase precipitates with very short incubation time and very low growth rate, which are different from those for the base alloy. The extremely low growth rate of the crystallites is presumably due to the reduction of diffusivity of late transition metal elements resulting from multiplication. Thus, the high-order multiplication has the features of (1) the maintenance of high glass-forming ability even at the lower Co, Ni and Cu content and in the absence of

  17. Cooperative strings and glassy interfaces.

    Salez, Thomas; Salez, Justin; Dalnoki-Veress, Kari; Raphaël, Elie; Forrest, James A

    2015-07-07

    We introduce a minimal theory of glass formation based on the ideas of molecular crowding and resultant string-like cooperative rearrangement, and address the effects of free interfaces. In the bulk case, we obtain a scaling expression for the number of particles taking part in cooperative strings, and we recover the Adam-Gibbs description of glassy dynamics. Then, by including thermal dilatation, the Vogel-Fulcher-Tammann relation is derived. Moreover, the random and string-like characters of the cooperative rearrangement allow us to predict a temperature-dependent expression for the cooperative length ξ of bulk relaxation. Finally, we explore the influence of sample boundaries when the system size becomes comparable to ξ. The theory is in agreement with measurements of the glass-transition temperature of thin polymer films, and allows quantification of the temperature-dependent thickness hm of the interfacial mobile layer.

  18. Pseudo-time-reversal symmetry and topological edge states in two-dimensional acoustic crystals

    Mei, Jun

    2016-09-02

    We propose a simple two-dimensional acoustic crystal to realize topologically protected edge states for acoustic waves. The acoustic crystal is composed of a triangular array of core-shell cylinders embedded in a water host. By utilizing the point group symmetry of two doubly degenerate eigenstates at the Î

  19. Pseudo-time-reversal symmetry and topological edge states in two-dimensional acoustic crystals

    Mei, Jun; Chen, Zeguo; Wu, Ying

    2016-01-01

    We propose a simple two-dimensional acoustic crystal to realize topologically protected edge states for acoustic waves. The acoustic crystal is composed of a triangular array of core-shell cylinders embedded in a water host. By utilizing the point group symmetry of two doubly degenerate eigenstates at the Î

  20. Angular dependences of the luminescence and density of photon states in a chiral liquid crystal

    Umanskii, B A; Blinov, L M; Palto, S P [A.V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow, Russian Federaion (Russian Federation)

    2013-11-30

    Luminescence spectra of a laser dye-doped chiral liquid crystal have been studied in a wide range of angles (up to 60°) to the axis of its helical structure using a semicylindrical quartz prism, which made it possible to observe the shift and evolution of the photonic band gap in response to changes in angle. Using measured spectra and numerical simulation, we calculated the spectral distributions of the density of photon states in such a cholesteric crystal for polarised and unpolarised light, which characterise its structure as that of a chiral one-dimensional photonic crystal. (optics of liquid crystals)

  1. Ultra-fast solid state electro-optical modulator based on liquid crystal polymer and liquid crystal composites

    Ouskova, Elena; Sio, Luciano De, E-mail: luciano@beamco.com; Vergara, Rafael; Tabiryan, Nelson [Beam Engineering for Advanced Measurements Company, Winter Park, Florida 32789 (United States); White, Timothy J.; Bunning, Timothy J. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433-7707 (United States)

    2014-12-08

    A different generation of polymer-dispersed liquid crystals (PDLCs) based on a liquid crystalline polymer host is reported wherein the fluid behavior of the reactive mesogenic monomer is an enabler to concentration windows (liquid crystal polymer/liquid crystal) (and subsequent morphologies) not previously explored. These liquid crystal (LC) polymer/LC composites, LCPDLCs, exhibit excellent optical and electro-optical properties with negligible scattering losses in both the ON and OFF states. These systems thus have application in systems where fast phase modulation of optical signal instead of amplitude control is needed. Polarized optical microscopy and high resolution scanning electron microscopy confirm a bicontinuous morphology composed of aligned LC polymer coexisting with a phase separated LC fluid. Operating voltages, switching times, and spectra of LCPDLCs compare favourably to conventional PDLC films. The LCPDLCs exhibit a low switching voltage (4–5 V/μm), symmetric and submillisecond (200 μs) on/off response times, and high transmission in both the as formed and switched state in a phase modulation geometry.

  2. crystal

    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.

  3. Steady-state crack growth in single crystals under Mode I loading

    Juul, Kristian Jørgensen; Nielsen, Kim Lau; Niordson, Christian Frithiof

    2017-01-01

    The active plastic zone that surrounds the tip of a sharp crack growing under plane strain Mode I loading conditions at a constant velocity in a single crystal is studied. Both the characteristics of the plastic zone and its effect on the macroscopic toughness is investigated in terms of crack tip...... that the largest shielding effect develops in HCP crystals, while the lowest shielding exists for FCC crystals. Rate-sensitivity is found to affect the plastic zone size, but the characteristics overall remain similar for each individual crystal structure. An increasing rate-sensitivity at low crack velocities...... shielding due to plasticity (quantified by employing the Suo, Shih, and Varias set-up). Three single crystals (FCC, BCC, HCP) are modelled in a steady-state elastic visco-plastic framework, with emphasis on the influence of rate-sensitivity and crystal structures. Distinct velocity discontinuities...

  4. Glassy carbon coated graphite for nuclear applications

    Delpeux S; Cacciaguerra T; Duclaux L

    2005-01-01

    Taking into account the problems caused by the treatment of nuclear wastes, the molten salts breeder reactors are expected to a great development. They use a molten fluorinated salt (mixture of LiF, BeF 2 , ThF 4 , and UF 4 ) as fuel and coolant. The reactor core, made of graphite, is used as a neutrons moderator. Despite of its compatibility with nuclear environment, it appears crucial to improve the stability and inertness of graphite against the diffusion of chemicals species leading to its corrosion. One way is to cover the graphite surface by a protective impermeable deposit made of glassy carbon obtained by the pyrolysis of phenolic resin or polyvinyl chloride precursors. The main difficulty in the synthesis of glassy carbon is to create exclusively, in the primary pyrolysis product, a micro-porosity of about twenty Angstroms which closes later at higher temperature. Therefore, the evacuation of the volatile products occurring mainly between 330 and 600 C, must progress slowly to avoid the material to crack. In this study, the optimal parameters for the synthesis of glassy carbon as well as glassy carbon deposits on nuclear-type graphite pieces are discussed. Both thermal treatment of phenolic and PVC resins have been performed. The structure and micro-texture of glassy carbon have been investigated by X-ray diffraction, scanning and transmission electron microscopies and helium pycno-metry. Glassy carbon samples (obtained at 1200 C) show densities ranging from 1.3 to 1.55 g/cm 3 and closed pores with nano-metric size (∼ 5 to 10 nm) appear clearly on the TEM micrographs. Then, a thermal treatment to 2700 C leads to the shrinkage of the entangled graphene ribbons, in good agreement with the proposed texture model for glassy carbon. Glassy carbon deposits on nuclear graphite have been developed by an impregnation method. The uniformity of the deposit depends clearly on the surface texture and the chemistry of the graphite substrate. The deposit regions where

  5. Glassy carbon coated graphite for nuclear applications

    Delpeux, S.; Cacciaguerra, T.; Duclaux, L. [Orleans Univ., CRMD, CNRS, 45 (France)

    2005-07-01

    Taking into account the problems caused by the treatment of nuclear wastes, the molten salts breeder reactors are expected to a great development. They use a molten fluorinated salt (mixture of LiF, BeF{sub 2}, ThF{sub 4}, and UF{sub 4}) as fuel and coolant. The reactor core, made of graphite, is used as a neutrons moderator. Despite of its compatibility with nuclear environment, it appears crucial to improve the stability and inertness of graphite against the diffusion of chemicals species leading to its corrosion. One way is to cover the graphite surface by a protective impermeable deposit made of glassy carbon obtained by the pyrolysis of phenolic resin [1,2] or polyvinyl chloride [3] precursors. The main difficulty in the synthesis of glassy carbon is to create exclusively, in the primary pyrolysis product, a micro-porosity of about twenty Angstroms which closes later at higher temperature. Therefore, the evacuation of the volatile products occurring mainly between 330 and 600 C, must progress slowly to avoid the material to crack. In this study, the optimal parameters for the synthesis of glassy carbon as well as glassy carbon deposits on nuclear-type graphite pieces are discussed. Both thermal treatment of phenolic and PVC resins have been performed. The structure and micro-texture of glassy carbon have been investigated by X-ray diffraction, scanning and transmission electron microscopies and helium pycno-metry. Glassy carbon samples (obtained at 1200 C) show densities ranging from 1.3 to 1.55 g/cm{sup 3} and closed pores with nano-metric size ({approx} 5 to 10 nm) appear clearly on the TEM micrographs. Then, a thermal treatment to 2700 C leads to the shrinkage of the entangled graphene ribbons (Fig 1), in good agreement with the proposed texture model for glassy carbon (Fig 2) [4]. Glassy carbon deposits on nuclear graphite have been developed by an impregnation method. The uniformity of the deposit depends clearly on the surface texture and the chemistry

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

    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. Controlling the volatility of the written optical state in electrochromic DNA liquid crystals

    Liu, Kai; Varghese, Justin; Gerasimov, Jennifer Y.; Polyakov, Alexey O.; Shuai, Min; Su, Juanjuan; Chen, Dong; Zajaczkowski, Wojciech; Marcozzi, Alessio; Pisula, Wojciech; Noheda, Beatriz; Palstra, Thomas T. M.; Clark, Noel A.; Herrmann, Andreas

    2016-05-01

    Liquid crystals are widely used in displays for portable electronic information display. To broaden their scope for other applications like smart windows and tags, new material properties such as polarizer-free operation and tunable memory of a written state become important. Here, we describe an anhydrous nanoDNA-surfactant thermotropic liquid crystal system, which exhibits distinctive electrically controlled optical absorption, and temperature-dependent memory. In the liquid crystal isotropic phase, electric field-induced colouration and bleaching have a switching time of seconds. Upon transition to the smectic liquid crystal phase, optical memory of the written state is observed for many hours without applied voltage. The reorientation of the DNA-surfactant lamellar layers plays an important role in preventing colour decay. Thereby, the volatility of optoelectronic state can be controlled simply by changing the phase of the material. This research may pave the way for developing a new generation of DNA-based, phase-modulated, photoelectronic devices.

  8. Glassy aerosols with a range of compositions nucleate ice heterogeneously at cirrus temperatures

    T. W. Wilson

    2012-09-01

    Full Text Available Atmospheric secondary organic aerosol (SOA is likely to exist in a semi-solid or glassy state, particularly at low temperatures and humidities. Previously, it has been shown that glassy aqueous citric acid aerosol is able to nucleate ice heterogeneously under conditions relevant to cirrus in the tropical tropopause layer (TTL. In this study we test if glassy aerosol distributions with a range of chemical compositions heterogeneously nucleate ice under cirrus conditions. Three single component aqueous solution aerosols (raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA and levoglucosan and one multi component aqueous solution aerosol (raffinose mixed with five dicarboxylic acids and ammonium sulphate were studied in both the liquid and glassy states at a large cloud simulation chamber. The investigated organic compounds have similar functionality to oxidised organic material found in atmospheric aerosol and have estimated temperature/humidity induced glass transition thresholds that fall within the range predicted for atmospheric SOA. A small fraction of aerosol particles of all compositions were found to nucleate ice heterogeneously in the deposition mode at temperatures relevant to the TTL (<200 K. Raffinose and HMMA, which form glasses at higher temperatures, nucleated ice heterogeneously at temperatures as high as 214.6 and 218.5 K respectively. We present the calculated ice active surface site density, ns, of the aerosols tested here and also of glassy citric acid aerosol as a function of relative humidity with respect to ice (RHi. We also propose a parameterisation which can be used to estimate heterogeneous ice nucleation by glassy aerosol for use in cirrus cloud models up to ~220 K. Finally, we show that heterogeneous nucleation by glassy aerosol may compete with ice nucleation on mineral dust particles in mid-latitudes cirrus.

  9. Protein crystal growth results from the United States Microgravity Laboratory-1 mission

    Delucas, Lawrence J.; Moore, K. M.; Vanderwoerd, M.; Bray, T. L.; Smith, C.; Carson, M.; Narayana, S. V. L.; Rosenblum, W. M.; Carter, D.; Clark, A. D, Jr.

    1994-01-01

    Protein crystal growth experiments have been performed by this laboratory on 18 Space Shuttle missions since April, 1985. In addition, a number of microgravity experiments also have been performed and reported by other investigators. These Space Shuttle missions have been used to grow crystals of a variety of proteins using vapor diffusion, liquid diffusion, and temperature-induced crystallization techniques. The United States Microgravity Laboratory - 1 mission (USML-1, June 25 - July 9, 1992) was a Spacelab mission dedicated to experiments involved in materials processing. New protein crystal growth hardware was developed to allow in orbit examination of initial crystal growth results, the knowledge from which was used on subsequent days to prepare new crystal growth experiments. In addition, new seeding hardware and techniques were tested as well as techniques that would prepare crystals for analysis by x-ray diffraction, a capability projected for the planned Space Station. Hardware that was specifically developed for the USML-1 mission will be discussed along with the experimental results from this mission.

  10. Novel Transrotational Solid State Order Discovered by TEM in Crystallizing Amorphous Films

    Kolosov, Vladimir

    Exotic thin crystals with unexpected transrotational microstructures have been discovered by transmission electron microscopy (TEM) for crystal growth in thin (10-100 nm) amorphous films of different chemical nature (oxides, chalcogenides, metals and alloys) prepared by various methods. Primarily we use our TEM bend contour technique. The unusual phenomenon can be traced in situ in TEM column: dislocation independent regular internal bending of crystal lattice planes in a growing crystal. Such transrotation (unit cell trans lation is complicated by small rotationrealized round an axis lying in the film plane) can result in strong regular lattice orientation gradients (up to 300 degrees per micrometer) of different geometries: cylindrical, ellipsoidal, toroidal, saddle, etc. Transrotation is increasing as the film gets thinner. Transrotational crystal resembles ideal single crystal enclosed in a curved space. Transrotational micro crystals have been eventually recognized by other authors in some vital thin film materials, i.e. PCMs for memory, silicides, SrTiO3. Atomic model and possible mechanisms of the phenomenon are discussed. New transrotational nanocrystalline model of amorphous state is also proposed Support of RF Ministry of Education and Science is acknowledged.

  11. Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals

    Shi, Dong

    2015-01-29

    The fundamental properties and ultimate performance limits of organolead trihalide MAPbX3(MA = CH3NH3 +; X = Br- or I- ) perovskites remain obscured by extensive disorder in polycrystalline MAPbX3 films. We report an antisolvent vapor-assisted crystallization approach that enables us to create sizable crack-free MAPbX3 single crystals with volumes exceeding 100 cubic millimeters. These large single crystals enabled a detailed characterization of their optical and charge transport characteristics.We observed exceptionally low trap-state densities on the order of 109 to 1010 per cubic centimeter in MAPbX3 single crystals (comparable to the best photovoltaic-quality silicon) and charge carrier diffusion lengths exceeding 10 micrometers. These results were validated with density functional theory calculations.

  12. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization.

    Hutchins, Kristin M; Groeneman, Ryan H; Reinheimer, Eric W; Swenson, Dale C; MacGillivray, Leonard R

    2015-08-01

    Thermal expansion involves a response of a material to an external stimulus that typically involves an increase in a crystallographic axis (positive thermal expansion (PTE)), although shrinking with applied heat (negative thermal expansion (NTE)) is known in rarer cases. Here, we demonstrate a means to achieve dynamic molecular motion and thermal expansions in organic solids via co-crystallizations. One co-crystal component is known to exhibit dynamic behaviour in the solid state while the second, when varied systematically, affords co-crystals with linear thermal expansion coefficients that range from colossal to nearly zero. Two co-crystals exhibit rare NTE. We expect the approach to guide the design of molecular solids that enable predesigned motion related to thermal expansion processes.

  13. Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals

    Shi, Dong; Adinolfi, Valerio; Comin, Riccardo; Yuan, Mingjian; Alarousu, Erkki; Buin, Andrei K.; Chen, Yin; Hoogland, Sjoerd H.; Rothenberger, Alexander; Katsiev, Khabiboulakh; Losovyj, Yaroslav B.; Zhang, Xin; Dowben, Peter A.; Mohammed, Omar F.; Sargent, E. H.; Bakr, Osman

    2015-01-01

    The fundamental properties and ultimate performance limits of organolead trihalide MAPbX3(MA = CH3NH3 +; X = Br- or I- ) perovskites remain obscured by extensive disorder in polycrystalline MAPbX3 films. We report an antisolvent vapor-assisted crystallization approach that enables us to create sizable crack-free MAPbX3 single crystals with volumes exceeding 100 cubic millimeters. These large single crystals enabled a detailed characterization of their optical and charge transport characteristics.We observed exceptionally low trap-state densities on the order of 109 to 1010 per cubic centimeter in MAPbX3 single crystals (comparable to the best photovoltaic-quality silicon) and charge carrier diffusion lengths exceeding 10 micrometers. These results were validated with density functional theory calculations.

  14. Photonic crystals possessing multiple Weyl points and the experimental observation of robust surface states

    Chen, Wen-Jie; Xiao, Meng; Chan, C. T.

    2016-01-01

    Weyl points, as monopoles of Berry curvature in momentum space, have captured much attention recently in various branches of physics. Realizing topological materials that exhibit such nodal points is challenging and indeed, Weyl points have been found experimentally in transition metal arsenide and phosphide and gyroid photonic crystal whose structure is complex. If realizing even the simplest type of single Weyl nodes with a topological charge of 1 is difficult, then making a real crystal carrying higher topological charges may seem more challenging. Here we design, and fabricate using planar fabrication technology, a photonic crystal possessing single Weyl points (including type-II nodes) and multiple Weyl points with topological charges of 2 and 3. We characterize this photonic crystal and find nontrivial 2D bulk band gaps for a fixed kz and the associated surface modes. The robustness of these surface states against kz-preserving scattering is experimentally observed for the first time. PMID:27703140

  15. Thermal Barrier Coatings Resistant to Glassy Deposits

    Drexler, Julie Marie

    Engineering of alloys has for years allowed aircraft turbine engines to become more efficient and operate at higher temperatures. As advancements in these alloy systems have become more difficult, ceramic thermal barrier coatings (TBCs), often yttria (7 wt %) stabilized zirconia (7YSZ), have been utilized for thermal protection. TBCs have allowed for higher engine operating temperatures and better fuel efficiency but have also created new engineering problems. Specifically, silica based particles such as sand and volcanic ash that enter the engine during operation form glassy deposits on the TBCs. These deposits can cause the current industrial 7YSZ thermal barrier coatings to fail since the glass formed penetrates and chemically interacts with the TBC. When this occurs, coating failure may occur due to a loss of strain tolerance, which can lead to fracture, and phase changes of the TBC material. There have been several approaches used to stop calcium-magnesium aluminio-silcate (CMAS) glasses (molten sand) from destroying the entire TBC, but overall there is still limited knowledge. In this thesis, 7YSZ and new TBC materials will be examined for thermochemical and thermomechanical performance in the presence of molten CMAS and volcanic ash. Two air plasma sprayed TBCs will be shown to be resistant to volcanic ash and CMAS. The first type of coating is a modified 7YSZ coating with 20 mol% Al2O3 and 5 mol% TiO2 in solid solution (YSZ+20Al+5Ti). The second TBC is made of gadolinium zirconate. These novel TBCs impede CMAS and ash penetration by interacting with the molten CMAS or ash and drastically changing the chemistry. The chemically modified CMAS or ash will crystallize into an apatite or anorthite phase, blocking the CMAS or ash from further destroying the coating. A presented mechanism study will show these coatings are effective due to the large amount of solute (Gd, Al) in the zirconia structure, which is the key to creating the crystalline apatite or

  16. Mapping the Local Density of Optical States of a Photonic Crystal with Single Quantum Dots

    Wang, Qin; Stobbe, Søren; Lodahl, Peter

    2011-01-01

    We use single self-assembled InGaAs quantum dots as internal probes to map the local density of optical states of photonic crystal membranes. The employed technique separates contributions from nonradiative recombination and spin-flip processes by properly accounting for the role of the exciton...... fine structure. We observe inhibition factors as high as 70 and compare our results to local density of optical states calculations available from the literature, thereby establishing a quantitative understanding of photon emission in photonic crystal membranes. © 2011 American Physical Society....

  17. In situ nanocalorimetry of thin glassy organic films

    León-Gutierrez, E.; Garcia, G.; Lopeandía, A. F.; Fraxedas, J.; Clavaguera-Mora, M. T.; Rodríguez-Viejo, J.

    2008-11-01

    In this work, we describe the design and first experimental results of a new setup that combines evaporation of liquids in ultrahigh vacuum conditions with in situ high sensitivity thermal characterization of thin films. Organic compounds are deposited from the vapor directly onto a liquid nitrogen cooled substrate, permitting the preparation and characterization of glassy films. The substrate consists of a microfabricated, membrane-based nanocalorimeter that permits in situ measurements of heat capacity under ultrafast heating rates (up to 105 K/s) in the temperature range of 100-300 K. Three glass forming liquids—toluene, methanol, and acetic acid—are characterized. The spikes in heat capacity related to the glass-transition temperature, the fictive temperature and, in some cases, the onset temperature of crystallization are determined for several heating rates.

  18. The mechanism of deceleration of nucleation and crystal growth by the small addition of transition metals to lithium disilicate glasses

    Thieme, Katrin; Avramov, Isak; Rüssel, Christian

    2016-01-01

    The addition of small amounts of niobium or tantalum oxide to lithium disilicate glass provokes a drastic decrease of the steady-state nucleation rates and the crystal growth velocities. The viscosity of the residual glassy matrix is considered as a function of the crystallization degree in the course of a non-isothermal crystallization. For simplification, a homogeneous distribution of the added oxides in the glass matrix is assumed. While the viscosity initially decreases, it significantly increases again for higher crystallization degrees hindering crystal growth. However, it was shown that the additives are enriched at the crystal interface. Several possible reasons for the inhibition of nucleation and growth kinetics such as viscosity, interfacial energy crystal/glassy phase, thermodynamic driving force or impingement rate are discussed. Since the crystallization front is blocked by the additives the impingement rate is decreased with increasing additive concentration. Since small concentrations of Nb2O5 and Ta2O5 have a drastic effect on the nucleation, these components should be enriched at the interface crystal/glass. This will only take place, if it leads to a decrease in the interfacial energy. Since this effect alone should result in an increase of the nucleation rate, it must be overcompensated by kinetic effects. PMID:27150844

  19. Topologically protected bound states in photonic parity-time-symmetric crystals.

    Weimann, S; Kremer, M; Plotnik, Y; Lumer, Y; Nolte, S; Makris, K G; Segev, M; Rechtsman, M C; Szameit, A

    2017-04-01

    Parity-time (PT)-symmetric crystals are a class of non-Hermitian systems that allow, for example, the existence of modes with real propagation constants, for self-orthogonality of propagating modes, and for uni-directional invisibility at defects. Photonic PT-symmetric systems that also support topological states could be useful for shaping and routing light waves. However, it is currently debated whether topological interface states can exist at all in PT-symmetric systems. Here, we show theoretically and demonstrate experimentally the existence of such states: states that are localized at the interface between two topologically distinct PT-symmetric photonic lattices. We find analytical closed form solutions of topological PT-symmetric interface states, and observe them through fluorescence microscopy in a passive PT-symmetric dimerized photonic lattice. Our results are relevant towards approaches to localize light on the interface between non-Hermitian crystals.

  20. Electrically tunable robust edge states in graphene-based topological photonic crystal slabs

    Song, Zidong; Liu, HongJun; Huang, Nan; Wang, ZhaoLu

    2018-03-01

    Topological photonic crystals are optical structures supporting topologically protected unidirectional edge states that exhibit robustness against defects. Here, we propose a graphene-based all-dielectric photonic crystal slab structure that supports two-dimensionally confined topological edge states. These topological edge states can be confined in the out-of-plane direction by two parallel graphene sheets. In the structure, the excitation frequency range of topological edge states can be dynamically and continuously tuned by varying bias voltage across the two parallel graphene sheets. Utilizing this kind of architecture, we construct Z-shaped channels to realize topological edge transmission with diffrerent frequencies. The proposal provides a new degree of freedom to dynamically control topological edge states and potential applications for robust integrated photonic devices and optical communication systems.

  1. Some Recent Developments in Structure and Glassy Behavior of Proteins

    Hu, Chin-Kun

    2012-02-01

    We have used ARVO developed by us to find that the ratio of volume and surface area of proteins in Protein Data Bank distributed in a very narrow region [1]. Such result is useful for the determination of protein 3D structures. It has been widely known that a spin glass model can be used to understand the slow relaxation behavior of a glass at low temperatures [2]. We have used molecular dynamics and simple models of polymer chains to study relaxation and aggregation of proteins under various conditions and found that polymer chains with neighboring monomers connected by rigid bonds can relax very slowly and show glassy behavior [3]. We have also found that native collagen fibrils show glassy behavior at room temperatures [4]. The results of [3] and [4] about the glassy behavior of polymers or proteins are useful for understanding the mechanism for a biological system to maintain in a non-equilibrium state, including the ancient seed [5], which can maintain in a non-equilibrium state for a very long time. (1) M.-C. Wu, M. S. Li, W.-J. Ma, M. Kouza, and C.-K. Hu, EPL, in press (2011); (2) C. Dasgupta, S.-K. Ma, and C.-K. Hu. Phys. Rev. B 20, 3837-3849 (1979); (3) W.-J. Ma and C.-K. Hu, J. Phys. Soc. Japan 79, 024005, 024006, 054001, and 104002 (2010), C.-K. Hu and W.-J. Ma, Prog. Theor. Phys. Supp. 184, 369 (2010); S. G. Gevorkian, A. E. Allahverdyan, D. S. Gevorgyan and C.-K. Hu, EPL 95, 23001 (2011); S. Sallon, et al. Science 320, 1464 (2008).

  2. Shear-transformation-zone theory of linear glassy dynamics.

    Bouchbinder, Eran; Langer, J S

    2011-06-01

    We present a linearized shear-transformation-zone (STZ) theory of glassy dynamics in which the internal STZ transition rates are characterized by a broad distribution of activation barriers. For slowly aging or fully aged systems, the main features of the barrier-height distribution are determined by the effective temperature and other near-equilibrium properties of the configurational degrees of freedom. Our theory accounts for the wide range of relaxation rates observed in both metallic glasses and soft glassy materials such as colloidal suspensions. We find that the frequency-dependent loss modulus is not just a superposition of Maxwell modes. Rather, it exhibits an α peak that rises near the viscous relaxation rate and, for nearly jammed, glassy systems, extends to much higher frequencies in accord with experimental observations. We also use this theory to compute strain recovery following a period of large, persistent deformation and then abrupt unloading. We find that strain recovery is determined in part by the initial barrier-height distribution, but that true structural aging also occurs during this process and determines the system's response to subsequent perturbations. In particular, we find by comparison with experimental data that the initial deformation produces a highly disordered state with a large population of low activation barriers, and that this state relaxes quickly toward one in which the distribution is dominated by the high barriers predicted by the near-equilibrium analysis. The nonequilibrium dynamics of the barrier-height distribution is the most important of the issues raised and left unresolved in this paper.

  3. The vitreous state thermodynamics, structure, rheology, and crystallization

    Gutzow, Ivan S

    2013-01-01

    This book summarizes the experimental evidence and modern classical and theoretical approaches in understanding the vitreous state, from structural problems, over equilibrium and non-equilibrium thermodynamics, to statistical physics. Glasses, and especially silicate glasses, are only the best known representatives of this particular physical state of matter. Other typical representatives include organic polymer glasses, and many other easily vitrifying organic and inorganic substances, technically important materials, amidst them vitreous water and vitrified aqueous solutions, and also many metallic alloy systems. Some of these systems only form glasses under particular conditions, e.g. through ultra-rapid cooling. This book describes the properties and the formation of both every-day technical glasses and especially of such more exotic forms of vitreous matter. It is a unique source of knowledge and new ideas for materials scientists, engineers and researchers working on condensed matter. The new edition e...

  4. Trapped electronic states in YAG crystal excited by femtosecond radiation

    Zavedeev, E.V.; Kononenko, V.V.; Konov, V.I. [General Physics Institute of RAS, Moscow (Russian Federation); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation)

    2017-07-15

    The excitation of an electronic subsystem of an yttrium aluminum garnet by 800 nm femtosecond radiation was studied theoretically and experimentally. The spatio-temporal dynamics of the refractive index (n) inside the beam waist was explored by means of the pump-probe interferometric technique with a submicron resolution. The observed increase in n indicated the formation of bound electronic states relaxed for ∝ 150 ps. We showed that the experimental data agreed with the computational simulation based on the numerical solution of the nonlinear Schroedinger equation only if these transient states were considered to arise from a direct light-induced process but not from the decay of radiatively generated free-electron-hole pairs. (orig.)

  5. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] (NBA = norbornane; Ar F = 3,5-(CF 3 ) 2 C 6 H 3 ) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(alkene) x ][BAr F 4 ] are formed. The ethene ( x = 2) complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Oct , has been characterized in the solid-state (single-crystal X-ray diffraction) and by solution and solid-state NMR spectroscopy. Rapid, low temperature recrystallization using solution methods results in a different crystalline modification, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Hex , that has a hexagonal microporous structure ( P 6 3 22). The propene complex ( x = 1) [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene)][BAr F 4 ] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H 3 C interaction at low temperature by single-crystal X-ray diffraction, variable temperature solution and solid-state NMR spectroscopy, as well as periodic density functional theory (DFT) calculations. A fluxional process occurs in both the solid-state and solution that is proposed to proceed via a tautomeric allyl-hydride. Gas/solid catalytic isomerization of d 3 -propene, H 2 C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111

  6. mwnts composite film modified glassy carbon electrode

    Preferred Customer

    ABSTRACT: A poly p-aminosalicylic acid (Poly(p-ASA)) and multiwall carbon nanotubes. (MWCNTs) composite modified glassy carbon (GC) electrode was constructed by casting the MWNTs on the GC electrode surface followed by electropolymerization of the p-ASA on the MWCNTs/GCE. The electrochemical behaviours ...

  7. Nonlinear magnetoelectric effect in paraelectric state of Co4Nb2O9 single crystal

    Cao, Ym.; Deng, Gc.; Beran, Přemysl; Feng, Zj.; Kang, Bj.; Zhang, Jc.; Guiblin, N.; Dkhil, B.; Ren, W.; Cao, Sx.

    2017-01-01

    Roč. 7, č. 10 (2017), č. článku 14079. ISSN 2045-2322 Institutional support: RVO:61389005 Keywords : magnetoelectric * single crystal * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.259, year: 2016

  8. An all-silicon laser by coupling between electronic localized states and defect states of photonic crystal

    Huang Weiqi, E-mail: WQHuang2001@yahoo.com [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Huang Zhongmei; Miao Xinjiang; Cai Chenlan; Liu Jiaxin; Lue Quan [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Liu Shirong, E-mail: Shirong@yahoo.com [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China); Qin Chaojian [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China)

    2012-01-15

    In a nano-laser of Si quantum dots (QD), the smaller QD fabricated by nanosecond pulse laser can form the pumping level tuned by the quantum confinement (QC) effect. Coupling between the active centers formed by localized states of surface bonds and the two-dimensional (2D) photonic crystal is used to select model in the nano-laser. The experimental demonstration is reported in which the peaks of stimulated emission at about 600 nm and 700 nm were observed on the Si QD prepared in oxygen after annealing which improves the stimulated emission. It is interesting to make a comparison between the localized electronic states in gap due to defect formed by surface bonds and the localized photonic states in gap of photonic band due to defect of 2D photonic crystal.

  9. Electric-field-induced flow-aligning state in a nematic liquid crystal.

    Fatriansyah, Jaka Fajar; Orihara, Hiroshi

    2015-04-01

    The response of shear stress to a weak ac electric field as a probe is measured in a nematic liquid crystal under shear flow and dc electric fields. Two states with different responses are clearly observed when the dc electric field is changed at a constant shear rate: the flow aligning and non-flow aligning states. The director lies in the shear plane in the flow aligning state and out of the plane in the non-flow aligning state. Through application of dc electric field, the non-flow aligning state can be changed to the flow aligning state. In the transition from the flow aligning state to the non-flow aligning state, it is found that the response increases and the relaxation time becomes longer. Here, the experimental results in the flow aligning state are discussed on the basis of the Ericksen-Leslie theory.

  10. Superionic state and interionic potential of α-AgI crystals

    Polyakov, V.I.

    1999-01-01

    The nature of α-AgI crystal superionic state is condensed using a model of delayed rotational diffusion, in which α-AgI curvilinear conductivity channels are explained processing from the character of silver ions motion. The superionic state nature is explained using periodic equipotential surfaces of spatial interionic potential constructed of monomeric effective coupled potential by the EXAFS method. The physical character of periodic minimal surfaces for analysis of dynamic processes is substantiated [ru

  11. Tricriticality for dimeric Coulomb molecular crystals in ground state

    Travěnec, Igor; Šamaj, Ladislav

    2017-12-01

    We study the ground-state properties of a system of dimers. Each dimer consists in a pair of equivalent charges at a fixed distance, immersed in a neutralizing homogeneous background. All charges interact pairwisely by Coulomb potential. The dimer centers form a two-dimensional rectangular lattice with the aspect ratio α\\in [0, 1] and each dimer is allowed to rotate around its center. The previous numerical simulations, made for the more general Yukawa interaction, indicate that only two basic dimer configurations can appear: either all dimers are parallel or they have two different angle orientations within alternating (checkerboard) sublattices. As the dimer size increases, two second-order phase transitions, related to two kinds of the symmetry breaking in dimer’s orientations, were reported. In this paper, we use a recent analytic method based on an expansion of the interaction energy in Misra functions which converges quickly and provides an analytic derivation of the critical behaviour. Our main result is that there exists a specific aspect ratio of the rectangular lattice α^*=0.714 106 840 000 71\\ldots which divides the space of model’s phases onto two distinct regions. If the lattice aspect ratio α>α* , we recover both types of the second-order phase transitions and find that they are of mean-field type with the critical exponent β = 1/2 . If 0.711 535≤slantα<α* , the phase transition associated with the discontinuity of dimer’s angles on alternating sublattices becomes of first order. For α=α* , the first- and second-order phase transitions meet at the tricritical point, characterized by the different critical index β = 1/4 . Such phenomenon is known from literature about the Landau theory of one-component fields, but in our two-component version the scenario is more complicated: the component which is already in the symmetry-broken state at the tricritical point also interferes and exhibits unexpectedly the mean-field singular

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

    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.

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

    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

  14. Density of states controls Anderson localization in disordered photonic crystal waveguides

    Garcia-Fernández, David; Smolka, Stephan; Stobbe, Søren

    2010-01-01

    We prove Anderson localization in a disordered photonic crystal waveguide by measuring the ensemble-averaged extinction mean-free path, ℓe, which is controlled by the dispersion in the photon density of states (DOS) of the photonic crystal waveguide. Except for the very low DOS case, where out......-of-plane losses are non-negligible, ℓe can be approximated to be the localization length ξ. The extinction mean-free path shows a fivefold variation between the low- and the high-DOS regime, and it becomes shorter than the sample length thus giving rise to strongly confined modes. The dispersive behavior of ℓe...

  15. Solid-state syntheses and single-crystal characterizations of three tetravalent thorium and uranium silicates

    Jin, Geng Bang; Soderholm, L.

    2015-01-01

    Colorless crystals of ThSiO 4 (huttonite) (1) and (Ca 0.5 Na 0.5 ) 2 NaThSi 8 O 20 (2) have been synthesized by the solid-state reactions of ThO 2 , CaSiO 3 , and Na 2 WO 4 at 1073 K. Green crystals of (Ca 0.5 Na 0.5 ) 2 NaUSi 8 O 20 (3) have been synthesized by the solid-state reactions of UO 2 , CaSiO 3 , and Na 2 WO 4 at 1003 K. All three compounds have been characterized by single-crystal X-ray diffraction. Compound 1 adopts a monazite-type three-dimensional condensed structure, which is built from edge- and corner-shared ThO 9 polyhedra and SiO 4 tetrahedra. Compounds 2 and 3 are isostructural and they crystallize in a steacyite-type structure. The structure consists of discrete pseudocubic [Si 8 O 20 ] 8− polyanions, which are connected by An 4+ cations into a three-dimensional framework. Each An atom coordinates to eight monodentate [Si 8 O 20 ] 8− moieties in a square antiprismatic geometry. Na + and Ca 2+ ions reside in the void within the framework. Raman spectra of 1, 2, and 3 were collected on single crystal samples. 1 displays more complex vibrational bands than thorite. Raman spectra of 2 and 3 are analogous with most of vibrational bands located at almost the same regions. - Graphical abstract: A Raman spectrum and crystal structures of (Ca 0.5 Na 0.5 ) 2 NaAnSi 8 O 20 (An=Th, U), which contain pseudocubic [Si 8 O 20 ] 8− polyanions and eight-coordinate An 4+ cations. - Highlights: • Single crystal growth of three tetravalent actinide silicates from melts. • Single-crystal structures and Raman spectra of (Ca 0.5 Na 0.5 ) 2 NaAnSi 8 O 20 (An=Th, U). • First report of Raman spectrum of huttonite on single crystal samples

  16. Investigations and Simulations of All optical Switches in linear state Based on Photonic Crystal Directional Coupler

    S. Maktoobi

    2014-10-01

    Full Text Available Switching is a principle process in digital computers and signal processing systems. The growth of optical signal processing systems, draws particular attention to design of ultra-fast optical switches. In this paper, All Optical Switches in linear state Based On photonic crystal Directional coupler is analyzed and simulated. Among different methods, the finite difference time domain method (FDTD is a preferable method and is used. We have studied the application of photonic crystal lattices, the physics of optical switching and photonic crystal Directional coupler. In this paper, Electric field intensity and the power output that are two factors to improve the switching performance and the device efficiency are investigated and simulated. All simulations are performed by COMSOL software.

  17. Gigantic spin splitting of exciton states in CdSe:Mn hexagonal crystal

    Komarov, A.V.; Ryabchenko, S.M.; Semenov, Yu.G.; Shanina, B.D.; Vitrikhovskij, N.I.; AN Ukrainskoj SSR, Kiev. Inst. Poluprovodnikov)

    1980-01-01

    Gigantic spin splitting of exciton states in magneto-doped semiconductors is observed for the first time in the CdSe: Mn hexagonal crystal. A theoretical interpretation of some features of the effect due to the anisotropy of the crystal is presented. The parameters of the band structure are determined by comparing with the experiments: Δ 1 =46+-3, Δ 2 =137+-1, Δ 3 =140.6+-0.3 meV. It is shown that in CdSe:Mn just as in cubic semiconductors, exchange interaction with magnetic impurities is ferromagnetic for electrons of the conductivity band and antiferromagnetic for electrons of the valence band. The exchange constants are of the same order of magnetude as those for the CdTe:Mn, ZnTe:Mn and ZnSe:Mn crystals

  18. Solvated electron structure in glassy matrices

    Kevan, L.

    1981-01-01

    Current knowledge of the detailed geometrical structure of solvated electrons in aqueous and organic media is summarized. The geometry of solvated electrons in glassy methanol, ethanol, and 2-methyltetrahydrofuran is discussed. Advanced electron magnetic resonance methods and development of new methods of analysis of electron spin echo modulation patterns, second moment line shapes, and forbidden photon spin-flip transitions for paramagnetic species in these disordered systems are discussed. 66 references are cited

  19. New model system in radiation cryochemistry. Hyperquenched glassy water

    Plonka, A.

    1998-01-01

    Complete text of publication follows. Since the radical generated by high-energy irradiation of liquid water are short-lived at ambient temperature, they are often studied at cryogenic temperatures after irradiating either crystalline ice or highly concentrated aqueous electrolyte solution glasses. While these studies provided a wealth of information, they also bear disadvantages in that further reactions of these radicals may not be those occurring in liquid water because of formation of other radicals from the solute in the case of the electrolyte solution glass and/or perturbation of the water structure by the solute. Furthermore, in slow-cooled aqueous solutions where ice is formed and phase separation of the solute occurs, the radicals trapped in the ice compartments are unable to interact with solutes because these are dissolved in the 'freeze-concentration' regions. These problems can in principle be overcome by investigating water and dilute aqueous solutions in their glassy states which can be obtained by rapid quenching of the liquids. Glassy water can now routinely be made in gram-quantities by so-called 'hyperquenching' of micrometer-sized water droplets on a solid cryoplate. The cooling rates are of the order of 10 6 - 10 7 K s -1 . Our results show that indeed in the hyperquenched dilute aqueous solutions there is no problem with phase separation and radiolysis of hyperquenched water is quite distinct from radiolysis of polycrystalline ice obtained from liquid water quenched in the liquid nitrogen

  20. Ultrafast state detection and 2D ion crystals in a Paul trap

    Ip, Michael; Ransford, Anthony; Campbell, Wesley

    2016-05-01

    Projective readout of quantum information stored in atomic qubits typically uses state-dependent CW laser-induced fluorescence. This method requires an often sophisticated imaging system to spatially filter out the background CW laser light. We present an alternative approach that instead uses simple pulse sequences from a mode-locked laser to affect the same state-dependent excitations in less than 1 ns. The resulting atomic fluorescence occurs in the dark, allowing the placement of non-imaging detectors right next to the atom to improve the qubit state detection efficiency and speed. We also study 2D Coulomb crystals of atomic ions in an oblate Paul trap. We find that crystals with hundreds of ions can be held in the trap, potentially offering an alternative to the use of Penning traps for the quantum simulation of 2D lattice spin models. We discuss the classical physics of these crystals and the metastable states that are supported in 2D. This work is supported by the US Army Research Office.

  1. Dynamically tunable interface states in 1D graphene-embedded photonic crystal heterostructure

    Huang, Zhao; Li, Shuaifeng; Liu, Xin; Zhao, Degang; Ye, Lei; Zhu, Xuefeng; Zang, Jianfeng

    2018-03-01

    Optical interface states exhibit promising applications in nonlinear photonics, low-threshold lasing, and surface-wave assisted sensing. However, the further application of interface states in configurable optics is hindered by their limited tunability. Here, we demonstrate a new approach to generate dynamically tunable and angle-resolved interface states using graphene-embedded photonic crystal (GPC) heterostructure device. By combining the GPC structure design with in situ electric doping of graphene, a continuously tunable interface state can be obtained and its tuning range is as wide as the full bandgap. Moreover, the exhibited tunable interface states offer a possibility to study the correspondence between space and time characteristics of light, which is beyond normal incident conditions. Our strategy provides a new way to design configurable devices with tunable optical states for various advanced optical applications such as beam splitter and dynamically tunable laser.

  2. Similar and dissimilar friction welding of Zr-Cu-Al bulk glassy alloys

    Shin, Hyung-Seop; Park, Jung-Soo; Jung, Yoon-Chul; Ahn, Jung-Ho; Yokoyama, Yoshihiko; Inoue, Akihisa

    2009-01-01

    The friction welding of three kinds of Zr-Cu-Al bulk glassy alloys (BGAs) which show eutectic or hypoeutectic compositions to similar and dissimilar BGAs and crystalline metals has been tried. The shape and volume of the protrusion formed at the weld interface were investigated. In order to characterize the friction welded interface, micrographic observation and X-ray diffraction analysis on the weld cross-section were carried out. A successful joining of Zr-Cu-Al bulk glassy alloys to similar and dissimilar BGAs was achieved without occurrence of crystallizations at the weld interface through the precise control of friction conditions. In addition, the joining of Zr 50 Cu 40 Al 10 BGA to crystalline alloys was tried, but it was only successful for specific material combinations. The residual strength after welding of dissimilar BGAs was evaluated by the four-point bending test.

  3. Deformation and structure evolution of glassy poly(lactic acid) below the glass transition temperature

    Zhou, Chengbo; Li, Hongfei; Zhang, Yao

    2015-01-01

    , the onset of the mesocrystal formation is delayed to a higher strain value, whereas corresponding to the same critical orientation degree of amorphous chains (f(am) approximate to 0.45). The DSC results indicated that the post-T-g endothermic peak corresponding to the melting of mesocrystal appears...... and shifts to a higher temperature with increasing stretching temperature, followed by the down-shifts (to a lower temperature) of the exothermic peak of cold crystallization of PLA. The appearance of a small exothermic peak just before the melting peak related to the transition of the alpha' to alpha...... crystal implies the formation of an alpha' crystal during cold crystallization in the drawn PLA samples. The structure evolution of glassy PLA stretched below T-g was discussed in details....

  4. Stability of glassy hierarchical networks

    Zamani, M.; Camargo-Forero, L.; Vicsek, T.

    2018-02-01

    The structure of interactions in most animal and human societies can be best represented by complex hierarchical networks. In order to maintain close-to-optimal function both stability and adaptability are necessary. Here we investigate the stability of hierarchical networks that emerge from the simulations of an organization type with an efficiency function reminiscent of the Hamiltonian of spin glasses. Using this quantitative approach we find a number of expected (from everyday observations) and highly non-trivial results for the obtained locally optimal networks, including, for example: (i) stability increases with growing efficiency and level of hierarchy; (ii) the same perturbation results in a larger change for more efficient states; (iii) networks with a lower level of hierarchy become more efficient after perturbation; (iv) due to the huge number of possible optimal states only a small fraction of them exhibit resilience and, finally, (v) ‘attacks’ targeting the nodes selectively (regarding their position in the hierarchy) can result in paradoxical outcomes.

  5. Study of the In2O3 molecule in the free state and in the crystal

    Kaplan, Ilya G.; Miranda, Ulises; Trakhtenberg, Leonid I.

    2018-03-01

    The nanomaterials based on the In2O3 molecule are widely used as catalysts and sensors among other applications. In the present study, we discuss the possibility of using nanoclusters of In2O3 as molecular photomotors. A comparative analysis of the electronic structure of the In2O3 molecule in the free state and in the crystal is performed. For the free In2O3 molecule the geometry of its lowest structures, V-shape and linear, was optimised at the CCSD(T) level, which is the most precise computational method applied up to date to study In2O3. Using experimental crystallographic data, we determined the geometry of In2O3 in the crystal. It has a zigzag, not symmetric structure and possesses a dipole moment with magnitude slightly smaller than that of the V-structure of the free molecule (the linear structure due to its symmetry has no dipole moment). According to the Natural Atomic population analysis, the chemical structure of the linear In2O3 can be represented as O = In-O-In = O; the V-shaped molecule has the similar double- and single-bond structure. The construction of nanoclusters from ´bricksʼ of In2O3 with geometry extracted from crystal (or nanoclusters extracted directly from crystal) and their use as photo-driven molecular motors are discussed.

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

    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.

  7. Nonreciprocal optical tunnelling through evanescently coupled Tamm states in magnetophotonic crystals

    Fang, Yun-Tuan [Jiangsu Univ., Zhenjiang (China). School of Computer Science and Telecommunication Engineering; Han, Ling [The Second Military Medical Univ., Shanghai (China). Dept. of Radiation Medicine; Gao, Yong-Feng [Jiangsu Univ., Zhenjiang (China). School of Mechanical Engineering

    2015-07-01

    Evanescently coupled Tamm states are achieved through two magnetophotonic crystals (MPCs) with a pair of coupling prisms. At the wavelengths of coupled Tamm states, a double of nonreciprocal optical tunnelling channels is found through the transmission spectra obtained from a developed transfer matrix method. The nonreciprocal tunnelling wavelength and the interval between two nonreciprocal channels can be adjusted depending on the width of the air gap between two MPCs or the scale invariant of a PC. The nonreciprocal tunnelling is demonstrated through electromagnetic field distribution simulations based on finite element software. Such theoretical results may provide a new method to design tunable optical isolators with a double of channels.

  8. Neutron single crystal diffraction studies of orientational glass state in the [Rbx(NH4)1-x]3H(SO4)2 mixed crystals

    Smirnov, L.S.; Reehuis, M.; Loose, A.; Hohlwein, D.; Hoffmann, J.U.; Wozniak, K.; Dominiak, P.; Baranov, A.I.; Dolbinina, V.V.

    2005-01-01

    The [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystal with the concentration x=0.0 at room temperature crystallizes in a monoclinic C2/c with sp.gr. (space group), which is stabilized for x>0.09 down to low temperatures. This system is transformed in the orientational glass state below the freezing temperature T g =30 K. The differential Fourier maps for the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals show that if for x=0.0 and 0.11 at 293 K the obtained maps reflect different orientational positions of crystallographically independent NH 4 (1) and NH 4 (2) groups, then the differential Fourier maps for x=0.20 at 9 K in the orientational glass state are similar for both ammonium groups reflecting their static disorder. The existence of the modulated structure in the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals with x=0.11 at 2 K is discovered, while the modulated structure for x=0.20 at 2 K is absent. This observation supposes that there should be two different regions of the orientational glass state on x-T phase diagram of the [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals

  9. EPR studies of excited state exchange and crystal-field effects in rare earth compounds

    Huang, C.Y.; Sugawara, K.; Cooper, B.R.

    1976-01-01

    EPR in excited crystal-field states of Tm 3+ , Pr 3+ , and Tb 3+ in singlet-ground-state systems and in the excited state of Ce 3+ in CeP are reviewed. Because one is looking at a crystal-field excited state resonance, the exchange, even if isotropic, does not act as a secular perturbation. This means that one obtains different effects and has access to more information about the dynamic effects of exchange than in conventional paramagnetic resonance experiments. The Tm and Pr monopnictides studied are paramagnetic at all temperatures. The most striking feature of the behavior of the GAMMA 5 /sup (2)/ EPR in the Tm compounds is the presence of an anomalous maximum in the temperature dependence of the g-factor. The relationship of this effect to anisotropic exchange is discussed. The results of the EPR of the excited GAMMA 5 /sup (2)/ level of Tb 3 + (g-factor becomes very large at T/sub N/ in antiferromagnetic TbX (X = P, As, Sb) and that of the excited GAMMA 8 level of Ce 3+ in antiferromagnetic CeP will also be reported. For sufficient dilution of the Tb 3+ in the terbium monopnictides, the systems become paramagnetic (Van Vleck paramagnets) down to 0 0 K. The Tb 3+ excited state resonance EPR in Tb/sub 0.1/ La/sub 0.9/P was studied as an example of behavior in such systems. 10 fig

  10. Force-free state in a superconducting single crystal and angle-dependent vortex helical instability

    del Valle, J.; Gomez, A.; Gonzalez, E. M.; Manas-Valero, S.; Coronado, E.; Vicent, J. L.

    2017-06-01

    Superconducting 2 H -NbS e2 single crystals show intrinsic low pinning values. Therefore, they are ideal materials with which to explore fundamental properties of vortices. (V , I ) characteristics are the experimental data we have used to investigate the dissipation mechanisms in a rectangular-shaped 2 H -NbS e2 single crystal. Particularly, we have studied dissipation behavior with magnetic fields applied in the plane of the crystal and parallel to the injected currents, i.e., in the force-free state where the vortex helical instability governs the vortex dynamics. In this regime, the data follow the elliptic critical state model and the voltage dissipation shows an exponential dependence, V ∝eα (I -IC ∥ ) , IC ∥ being the critical current in the force-free configuration and α a linear temperature-dependent parameter. Moreover, this exponential dependence can be observed for in-plane applied magnetic fields up to 40° off the current direction, which implies that the vortex helical instability plays a role in dissipation even out of the force-free configuration.

  11. Coherent diffractive imaging of solid state reactions in zinc oxide crystals

    Leake, Steven J.; Harder, Ross; Robinson, Ian K.

    2011-11-01

    We investigated the doping of zinc oxide (ZnO) microcrystals with iron and nickel via in situ coherent x-ray diffractive imaging (CXDI) in vacuum. Evaporated thin metal films were deposited onto the ZnO microcrystals. A single crystal was selected and tracked through annealing cycles. A solid state reaction was observed in both iron and nickel experiments using CXDI. A combination of the shrink wrap and guided hybrid-input-output phasing methods were applied to retrieve the electron density. The resolution was 33 nm (half order) determined via the phase retrieval transfer function. The resulting images are nevertheless sensitive to sub-angstrom displacements. The exterior of the microcrystal was found to degrade dramatically. The annealing of ZnO microcrystals coated with metal thin films proved an unsuitable doping method. In addition the observed defect structure of one crystal was attributed to the presence of an array of defects and was found to change upon annealing.

  12. Steady-State Crack Growth in Rate-Sensitive Single Crystals

    Juul, Kristian Jørgensen; Nielsen, Kim Lau; Niordson, Christian Frithiof

    2016-01-01

    The characteristics of the active plastic zone surrounding a crack growingin a single crystal (FCC, BCC, and HCP) at constant velocity is investigated for ModeI loading under plane strain assumptions. The framework builds upon a steady-state relation bringing the desired solution out in a frame...... translating with the crack tip. In the study, the shielding of the crack tip that follows from plastic slip is investigated by adopting the SSV-model. High resolution plots of the plastic zones are obtained and a detailed study confirms the existence of analytically determined velocity discontinuities from...... the literature. The plastic zone is found to be smallest for the FCC structure andlargest for the HCP structure, which is also reected in the shielding ratio, where FCC crystals show the smallest shielding and HCP the largest shielding....

  13. Spatially heterogeneous ages in glassy dynamics

    Castillo, Horacio E.; Chamon, Claudio Chamon; Cugliandolo, Leticia F.; Iguain, Jose Luis; Kennett, Malcolm P.

    2003-09-01

    We construct a framework for the study of fluctuations in the nonequilibrium relaxation of glassy systems with and without quenched disorder. We study two types of two-time local correlators with the aim of characterizing the heterogeneous evolution in these systems: in one case we average the local correlators over histories of the thermal noise, in the other case we simply coarse-grain the local correlators obtained for a given noise realization. We explain why the noise-averaged correlators describe the fingerprint of quenched disorder when it exists, while the coarse-grained correlators are linked to noise-induced mesoscopic fluctuations. We predict constraints on the distribution of the fluctuations of the coarse-grained quantities. In particular, we show that locally defined correlations and responses are connected by a generalized local out-of-equilibrium fluctuation-dissipation relation. We argue that large size heterogeneities in the age of the system survive in the long-time limit. A symmetry of the underlying theory, namely invariance under reparametrizations of the time coordinates, underlies these results. We establish a connection between the probabilities of spatial distributions of local coarse-grained quantities and the theory of dynamic random manifolds. We define, and discuss the behavior of, a two-time dependent correlation length from the spatial decay of the fluctuations in the two-time local functions. We characterize the fluctuations in the system in terms of their fractal properties. For concreteness, we present numerical tests performed on disordered spin models in finite and infinite dimensions. Finally, we explain how these ideas can be applied to the analysis of the dynamics of other glassy systems that can be either spin models without disorder or atomic and molecular glassy systems. (author)

  14. Steady-state hydrodynamic instabilities of active liquid crystals: hybrid lattice Boltzmann simulations.

    Marenduzzo, D; Orlandini, E; Cates, M E; Yeomans, J M

    2007-09-01

    We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently "extensile" rods, in the case of flow-aligning liquid crystals, and for sufficiently "contractile" ones for flow-tumbling materials. In a quasi-one-dimensional geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, rearrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of "convection rolls." These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behavior of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behavior of active nematics.

  15. Atmospheric pressure plasma treatment of glassy carbon for adhesion improvement

    Kusano, Yukihiro; Mortensen, Henrik Junge; Stenum, Bjarne

    2007-01-01

    density increased with the plasma treatments. Adhesion test of the treated glassy carbon covered with cured epoxy showed cohesive failure, indicating strong bonding after the treatments. This is in contrast to the adhesion tests of untreated samples where the epoxy readily peeled off the glassy carbon....

  16. An all-solid-state electrochemical double-layer capacitor based on a plastic crystal electrolyte

    Ali eaabouimrane

    2015-08-01

    Full Text Available A plastic crystal, solid electrolyte was prepared by mixing tetrabutylammonium hexafluorophosphate salt, (C4H94NPF6, (10 molar % with succinonitrile, SCN, (N C−CH2−CH2−C N, [SCN-10%TBA-PF6]. The resultant waxy material shows a plastic crystalline phase that extend from -36 °C up to its melting at 23 °C. It shows a high ionic conductivity reaching 4 × 10−5 S/cm in the plastic crystal phase (15 °C and ~ 3 × 10−3 S/cm in the molten state (25 °C. These properties along with the high electrochemical stability rendered the use of this material as an electrolyte in an electrochemical double-layer capacitor (EDLC. The EDLC was assembled and its performance was tested by cyclic voltammetry, AC impedance spectroscopy and galvanostatic charge-discharge methods. Specific capacitance values in the range of 4-7 F/g. (of electrode active material were obtained in the plastic crystal phase at 15 °C, that although compare well with those reported for some polymer electrolytes, can be still enhanced with further development of the device and its components, and only demonstrate their great potential use for capacitors as a new application.

  17. An All-Solid-State Electrochemical Double-Layer Capacitor Based on a Plastic Crystal Electrolyte

    Abouimrane, Ali; Belharouak, Ilias [Qatar Environment and Energy Research Institute, Qatar Foundation, Doha (Qatar); Abu-Lebdeh, Yaser A., E-mail: yaser.abu-lebdeh@nrc.gc.ca [Energy, Mining and Environment Portfolio and Automotive and Surface Transportation Portfolio, National Research Council of Canada, Ottawa, ON (Canada)

    2015-08-18

    A plastic crystal, solid electrolyte was prepared by mixing tetrabutylammonium hexafluorophosphate salt, (C{sub 4}H{sub 9}){sub 4}-NPF{sub 6}, (10 molar %) with succinonitrile, SCN, (N≡C−CH{sub 2}−CH{sub 2}−C≡N), [SCN-10%TBA-PF{sub 6}]. The resultant waxy material shows a plastic crystalline phase that extends from −36°C up to its melting at 23°C. It shows a high ionic conductivity reaching 4 × 10{sup -5} S/cm in the plastic crystal phase (15°C) and ~ 3 × 10{sup -3} S/cm in the molten state (25°C). These properties along with the high electrochemical stability rendered the use of this material as an electrolyte in an electrochemical double-layer capacitor (EDLC). The EDLC was assembled, and its performance was tested by cyclic voltammetry, AC impedance spectroscopy, and galvanostatic charge–discharge methods. Specific capacitance values in the range of 4–7 F/g (of electrode active material) were obtained in the plastic crystal phase at 15°C, that although compare well with those reported for some polymer electrolytes, can be still enhanced with further development of the device and its components, and only demonstrate their great potential use for capacitors as a new application.

  18. An All-Solid-State Electrochemical Double-Layer Capacitor Based on a Plastic Crystal Electrolyte

    Abouimrane, Ali; Belharouak, Ilias; Abu-Lebdeh, Yaser A.

    2015-01-01

    A plastic crystal, solid electrolyte was prepared by mixing tetrabutylammonium hexafluorophosphate salt, (C 4 H 9 ) 4 -NPF 6 , (10 molar %) with succinonitrile, SCN, (N≡C−CH 2 −CH 2 −C≡N), [SCN-10%TBA-PF 6 ]. The resultant waxy material shows a plastic crystalline phase that extends from −36°C up to its melting at 23°C. It shows a high ionic conductivity reaching 4 × 10 -5 S/cm in the plastic crystal phase (15°C) and ~ 3 × 10 -3 S/cm in the molten state (25°C). These properties along with the high electrochemical stability rendered the use of this material as an electrolyte in an electrochemical double-layer capacitor (EDLC). The EDLC was assembled, and its performance was tested by cyclic voltammetry, AC impedance spectroscopy, and galvanostatic charge–discharge methods. Specific capacitance values in the range of 4–7 F/g (of electrode active material) were obtained in the plastic crystal phase at 15°C, that although compare well with those reported for some polymer electrolytes, can be still enhanced with further development of the device and its components, and only demonstrate their great potential use for capacitors as a new application.

  19. Mathematical model of the crystallizing blank`s thermal state at the horizontal continuous casting machine

    Kryukov Igor Yu.

    2017-01-01

    Full Text Available Present article is devoted to the development of the mathematical model, which describes thermal state and crystallization process of the rectangular cross-section blank while continious process of extraction from a horysontal continious casting machine (HCCM.The developed model took cue for the heat-transfer properties of non-iron metal teeming; its temperature on entry to the casting mold; cooling conditions of blank in the carbon molds in the presence of a copper water cooler. Besides, has been considered the asymmetry of heat interchange from blank`s head and drag at mold, coming out from fluid contraction and features of the horizontal casting mold. The developed mathematical model allows to determine alterations in crystallizing blank of the following factors with respect to time: temperature pattern of crystallizing blank under different technical working regimes of HCCM; boundaries of solid two-phase field and liquid two-phase filed; blank`s thickness variation under shrinkage of the ingot`s material

  20. The Effect of Cellulose Crystal Structure and Solid-State Morphology on the Activity of Cellulases

    Stipanovic, Arthur J [SUNY College of Environmental Science and Forestry

    2014-11-17

    Consistent with the US-DOE and USDA “Roadmap” objective of producing ethanol and chemicals from cellulosic feedstocks more efficiently, a three year research project entitled “The Effect of Cellulose Crystal Structure and Solid-State Morphology on the Activity of Cellulases” was initiated in early 2003 under DOE sponsorship (Project Number DE-FG02-02ER15356). A three year continuation was awarded in June 2005 for the period September 15, 2005 through September 14, 2008. The original goal of this project was to determine the effect of cellulose crystal structure, including allomorphic crystalline form (Cellulose I, II, III, IV and sub-allomorphs), relative degree of crystallinity and crystallite size, on the activity of different types of genetically engineered cellulase enzymes to provide insight into the mechanism and kinetics of cellulose digestion by “pure” enzymes rather than complex mixtures. We expected that such information would ultimately help enhance the accessibility of cellulose to enzymatic conversion processes thereby creating a more cost-effective commercial process yielding sugars for fermentation into ethanol and other chemical products. Perhaps the most significant finding of the initial project phase was that conversion of native bacterial cellulose (Cellulose I; BC-I) to the Cellulose II (BC-II) crystal form by aqueous NaOH “pretreatment” provided an increase in cellulase conversion rate approaching 2-4 fold depending on enzyme concentration and temperature, even when initial % crystallinity values were similar for both allomorphs.

  1. Nonlinear spectroscopy of the bound exciton states in CdSe single crystals

    Lisitsa, M.P.; Onishchenko, N.A.; Stolyarenko, A.V.; Ananchenko, V.V.; Polishchuk, S.V.

    1989-01-01

    The study is devoted to the pulsed laser radiation effect on the time-resolved variations of free and bound exciton bands region at the helium temperature. A gradual disappearance of the bound I 2 exciton state is observed with increase of the excitation intensity I in CdSe transmission spectra. This phenomenon is explained by the fact that despite of the shorter life of I 2 excitons as compared to the free ones, the concentration of the centres on which they localize is rather low (≤10 16 cm -3 ) while the evolution of the light-generated electron-hole pairs is such as the most probable recombination through the bound excitons. The transmission spectrum kinetics is studied. The intensity limitation of the laser pulse transmitted through the crystal in the region of the exciton ground state region is shown to be related with two-photon absorption (TPA) in which the exciton state is an intermediate level. The calculation results are in good agreement with the experiment. The estimations show the giant TPA coefficient of ∼10 3 cm/MW. The evolution of photoexcited nonequilibrium electron-hole pairs is studied. The possibility of using CdSe single crystals as spectrum-selective limiters of the laser pulses is shown. (author)

  2. Spin-State Transition in La1-xSrxCoO3 Single Crystals

    Bhardwaj, S.; Prabhakaran, D.; Awasthi, A. M.

    2011-07-01

    We present a study of the thermal conductivity (κ), specific heat (Cp) and Raman spectra of La1-xSrxCoO3 (x = 0,0.1) single crystals. Both the specimens have low thermal conductivity and board Raman peaks, arising from strong scattering of phonons by lattice disorder, produced by (and doping-enhanced) spin-states admixture of the Co3+ ions. The thermal conductivity anomalously deviates from ˜1/T behaviour at high (room) temperatures, expected of an insulator. High-temperature specific heat reveals large decrease in the metal-insulator (M-I) transition temperature with Sr-doping.

  3. Stress-induced state transitions in flexible liquid-crystal devices

    Ho, I-Lin; Chang, Yia-Chung

    2012-01-01

    This work studies the stress-strain dynamics for the transient optoelectronic characteristics of flexible liquid-crystal (LC) devices. Due to the fast response of LC directors, the configuration of the LC is assumed to be in quasi-equilibrium during the process of elastic deformations of the flexible structures. The LC medium hence can be treated effectively as a thin-film layer and can approximately follow the strain-stress mechanism in the solids. Relevant theoretical algorithms are studied in this work, and numerical results present the stress-induced state transitions in the π cell.

  4. Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

    Gumbert, Silke D.; Körbitzer, Meike; Alig, Edith

    2016-01-01

    The crystal structure of C.I. Pigment Yellow 138 was determined from X-ray powder diffraction data using real-space methods with subsequent Rietveld refinements. The tautomeric state was investigated by solid-state 1D and 2D multinuclear NMR experiments. In the crystals, the compound exhibits...... the NH-tautomer with a hydrogen atom situated at the nitrogen of the quinoline moiety. Direct evidence of the presence of the NH-tautomer is provided by 1H–14N HMQC solid-state NMR at very fast MAS. Solid-state dispersion-corrected density functional theory calculations with BLYP-D3 confirm...

  5. A study on the positron annihilation of glassy Bi1Sr1Ca1Cu2Ox quenched from the molten liquid

    Hong Zhang; Xiao-Guang Wang; Le Luo; Shu-Hui Hu

    1989-01-01

    Some experimental results about the change of positron lifetime and Doppler broadening in glassy Bi 1 Sr 1 Ca 1 Cu 2 O x samples after post-annealing are reported. X-ray diffraction was used to examine the existing phases. Positron annihilation measurements indicate that there are two crystallization transformations from 20 0 to 830 0 C

  6. Crystal structure and spin state of mixed-crystals of iron with zinc and cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

    Dote, Haruka [Hiroshima University, Graduate School of Science (Japan); Nakashima, Satoru, E-mail: snaka@hiroshima-u.ac.jp [Hiroshima University, Natural Science Center for Basic Research and Development (Japan)

    2012-03-15

    Mixed crystals of cobalt and zinc were synthesized using 1,3-bis(4-pyridyl)propane (bpp) as bridging ligand and NCS{sup - } as anion. Red crystals and blue crystals were obtained. Powder X-ray diffraction patterns showed that the former is in 2D interpenetrated structure, while the latter has the same structure with Zn(NCS){sub 2}(bpp). Iron ion was introduced both into the red crystals and blue crystals of the mixed crystals of cobalt with zinc. {sup 57}Fe Moessbauer spectrum of the red crystals showed a main doublet of Fe{sup II} high-spin state at 78 K, while the spectrum of blue crystals did not show Fe{sup II} high-spin state at 78 K.

  7. Crystal structure and spin state of mixed-crystals of iron with zinc and cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

    Dote, Haruka; Nakashima, Satoru

    2012-01-01

    Mixed crystals of cobalt and zinc were synthesized using 1,3–bis(4–pyridyl)propane (bpp) as bridging ligand and NCS  −  as anion. Red crystals and blue crystals were obtained. Powder X-ray diffraction patterns showed that the former is in 2D interpenetrated structure, while the latter has the same structure with Zn(NCS) 2 (bpp). Iron ion was introduced both into the red crystals and blue crystals of the mixed crystals of cobalt with zinc. 57 Fe Mössbauer spectrum of the red crystals showed a main doublet of Fe II high-spin state at 78 K, while the spectrum of blue crystals did not show Fe II high-spin state at 78 K.

  8. A harmonic transition state theory model for defect initiation in crystals

    Delph, T J; Cao, P; Park, H S; Zimmerman, J A

    2013-01-01

    We outline here a model for the initiation of defects in crystals based upon harmonic transition state theory (hTST). This model combines a previously developed model for zero-temperature defect initiation with a multi-dimensional hTST model that is capable of accurately predicting the effects of temperature and loading rate upon defect initiation. The model has several features that set it apart from previous efforts along these lines, most notably a straightforward method of determining the energy barrier between adjacent equilibrium states that does not depend upon a priori information concerning the nature of the defect. We apply the model to two examples, triaxial stretching of a perfect fcc crystal and nanoindentation of a gold substrate. Very good agreement is found between the predictions of the model and independent molecular dynamics (MD) simulations. Among other things, the model predicts a strong dependence of the defect initiation behavior upon the loading parameter. A very attractive feature of this model is that it is valid for arbitrarily slow loading rates, in particular loading rates achievable in the laboratory, and suffers from none of the limitations in this regard inherent in MD simulations. (paper)

  9. Unidirectional edge states in topological honeycomb-lattice membrane photonic crystals.

    Anderson, P Duke; Subramania, Ganapathi

    2017-09-18

    Photonic analogs of electronic systems with topologically non-trivial behavior such as unidirectional scatter-free propagation has tremendous potential for transforming photonic systems. Like in electronics topological behavior can be observed in photonics for systems either preserving time-reversal (TR) symmetry or explicitly breaking it. TR symmetry breaking requires magneto-optic photonics crystals (PC) or generation of synthetic gauge fields. For on-chip photonics that operate at optical frequencies both are quite challenging because of poor magneto-optic response of materials or substantial nanofabrication challenges in generating synthetic gauge fields. A recent work by Ma, et al. [Phys. Rev. Lett.114, 223901 (2015)] based on preserving pseudo TR symmetry offers a promising design scheme for observing unidirectional edge states in a modified honeycomb photonic crystal (PC) lattice of circular rods that offers encouraging alternatives. Here we propose through bandstructure calculations the inverse system of modified honeycomb PC of circular holes in a dielectric membrane which is more attractive from fabrication standpoint for on-chip applications. We observe trivial and non-trivial bandgaps as well as unidirectional edge states of opposite helicity propagating in opposite directions at the interface of a trivial and non-trivial PC structures. Around 1550nm operating wavelength ~55nm of bandwidth is possible for practicable values of design parameters (lattice constant, hole radii, membrane thickness, scaling factor etc.) and robust to reasonable variations in those parameters.

  10. Fine kinetics of natural physical ageing in glassy As10Se90

    Balitska, V.; Golovchak, R.; Kozdras, A.; Shpotyuk, O.

    2014-01-01

    Sigmoid behavior of natural physical ageing in glassy As 10 Se 90 reveals multi-step-wise growing kinetics of enthalpy losses. Phenomenological description of this kinetics can be adequately developed in terms of first-order relaxation processes, tending atomic structure from initial towards more thermodynamically equilibrium state. This kinetics is shown to obey characteristic stretched exponential behavior originated from a number of growing steps, attributed to the interconnected processes of chalcogen chain alignment and cooperative shrinkage of glass network

  11. Glassy slag from rotary hearth vitrification

    Eschenbach, R.C.; Simpson, M.D.; Paulson, W.S.; Whitworth, C.G.

    1995-01-01

    Use of a Plasma Arc Centrifugal Treatment (PACT) system for treating mixed wastes containing significant quantities of soil results in formation of a glassy slag which melts at significantly higher temperatures than the borosilicate glasses. The slag typically contains mostly crystalline material, frequently in an amorphous matrix, thus the appellation open-quotes glassy slag.close quotes Details of the PACT process are given. The process will be used for treating buried wastes from Pit 9 at the Idaho National Engineering Laboratory and low-level mixed wastes from nuclear power plants in Switzerland. Properties of the slag after cooling to room temperature are reported, in particular the Product Consistency Test, for a number of different feedstocks. In almost all cases, the results compare favorably with conventional borosilicate glasses. In the PACT system, a transferred arc carries current from the plasma torch to a rotating molten bed of slag, which is the material being heated. Thus this transferred arc adds energy where it is needed - at and near the surface of the molten bath. Material is fed into the furnace through a sealed feeder, and falls into a rotating tub which is heated by the arc. Any organic material is quickly vaporized into the space above the slag bed and burned by the oxygen in the furnace. Metal oxides in the charge are melted into the slag. Metal in the feed tends to melt and collect as a separate phase underneath the slag, but can be oxidized if desired. When oxidized, it unites with other constituents forming a homogeneous slag

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

    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)

  13. One-way propagation of bulk states and robust edge states in photonic crystals with broken inversion and time-reversal symmetries

    Lu, Jin-Cheng; Chen, Xiao-Dong; Deng, Wei-Min; Chen, Min; Dong, Jian-Wen

    2018-07-01

    The valley is a flexible degree of freedom for light manipulation in photonic systems. In this work, we introduce the valley concept in magnetic photonic crystals with broken inversion symmetry. One-way propagation of bulk states is demonstrated by exploiting the pseudo-gap where bulk states only exist at one single valley. In addition, the transition between Hall and valley-Hall nontrivial topological phases is also studied in terms of the competition between the broken inversion and time-reversal symmetries. At the photonic boundary between two topologically distinct photonic crystals, we illustrate the one-way propagation of edge states and demonstrate their robustness against defects.

  14. Formation of a glassy phase in ceramic-like coatings

    Sazonova, M.V.; Gorbatova, G.N.

    1986-01-01

    The authors investigate the synthesis directly in coatings of a borosilicate melt that could fill the role of glassy matrix, thereby avoiding fusion and processing of the glassy material. The effect of added boron on the formation of coatings based on molybdenum disilicide and tungsten disilicide in air at 900 degrees C is presented. Without an additive no coating forms; there is no adhesion to the graphite and a continuous film does not form. As a result of boron oxidation an easily fused glassy matrix forms, which bonds the molybdenum disilicide or tungsten disilicide particles together and ensures adhesion to the graphite

  15. Fabrication of folic acid sensor based on the Cu doped SnO2 nanoparticles modified glassy carbon electrode

    Lavanya, N; Radhakrishnan, S; Sudhan, N; Sekar, C; Leonardi, S G; Neri, G; Cannilla, C

    2014-01-01

    A novel folic acid biosensor has been fabricated using Cu doped SnO 2 nanoparticles (NPs) synthesized by a simple microwave irradiation method. Powder XRD and TEM studies confirmed that both the pure and Cu doped SnO 2 (Cu: 0, 10, 20wt%) crystallized in tetragonal rutile-type structure with spherical morphology. The average crystallite size of pure SnO 2 was estimated to be around 16 nm. Upon doping, the crystallite sizes decreased to 9 nm and 5 nm for 10 and 20wt% Cu doped SnO 2 respectively. XPS studies confirmed the electronic state of Sn and Cu to be 4+ and 2+ respectively. Cu (20wt%) doped SnO 2 NPs are proved to be a good sensing element for the determination of folic acid (FA). Cu-SnO 2 NPs (20wt%) modified glassy carbon electrode (GCE) exhibited the lowest detection limit of 0.024 nM over a wide folic acid concentration range of 1.0 × 10 −10 to 6.7 × 10 −5 M at physiological pH of 7.0. The fabricated sensor is highly selective towards the determination of FA even in the presence of a 100 fold excess of common interferent ascorbic acid. The sensor proved to be useful for the estimation of FA content in pharmaceutical sample with satisfactory recovery. (paper)

  16. Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.

    Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally

    2016-03-21

    We report the exceptional observation of two different magnetic ground states (MGS), spin glass (SG, T(B) = 7 K) and ferrimagnet (FI, T(C) = 18 K), for one crystal structure of [{Mn(II)(D/L-NH2ala)}3{Mn(III)(CN)6}]·3H2O obtained from [Mn(CN)6](3-) and D/L-aminoalanine, in contrast to one MGS for [{Mn(II)(L-NH2ala)}3{Cr(III)(CN)6}]·3H2O. They consist of three Mn(NH2ala) helical chains bridged by M(III)(CN)6 to give the framework with disordered water molecules in channels and between the M(III)(CN)6. Both MGS are characterized by a negative Weiss constant, bifurcation in ZFC-FC magnetizations, blocking of the moments, both components of the ac susceptibilities, and hysteresis. They differ in the critical temperatures, absolute magnetization for 5 Oe FC (lack of spontaneous magnetization for the SG), and the shapes of the hysteresis and coercive fields. While isotropic pressure increases both T(crit) and the magnetizations linearly and reversibly in each case, dehydration progressively transforms the FI into the SG as followed by concerted in situ magnetic measurements and single-crystal diffraction. The relative strengths of the two moderate Mn(III)-CN-Mn(II) antiferromagnetic (J1 and J2), the weak Mn(II)-OCO-Mn(II) (J3), and Dzyaloshinkii-Moriya antisymmetric (DM) interactions generate the two sets of characters. Examination of the bond lengths and angles for several crystals and their corresponding magnetic properties reveals a correlation between the distortion of Mn(III)(CN)6 and the MGS. SG is favored by higher magnetic anisotropy by less distorted Mn(III)(CN)6 in good accordance with the Mn-Cr system. This conclusion is also born out of the magnetization measurements on orientated single crystals with fields parallel and perpendicular to the unique c axis of the hexagonal space group.

  17. Structural characterization and aging of glassy pharmaceuticals made using acoustic levitation.

    Benmore, Chris J; Weber, J K R; Tailor, Amit N; Cherry, Brian R; Yarger, Jeffery L; Mou, Qiushi; Weber, Warner; Neuefeind, Joerg; Byrn, Stephen R

    2013-04-01

    Here, we report the structural characterization of several amorphous drugs made using the method of quenching molten droplets suspended in an acoustic levitator. (13) C NMR, X-ray, and neutron diffraction results are discussed for glassy cinnarizine, carbamazepine, miconazole nitrate, probucol, and clotrimazole. The (13) C NMR results did not find any change in chemical bonding induced by the amorphization process. High-energy X-ray diffraction results were used to characterize the ratio of crystalline to amorphous material present in the glasses over a period of 8 months. All the glasses were stable for at least 6 months except carbamazepine, which has a strong tendency to crystallize within a few months. Neutron and X-ray pair distribution function analyses were applied to the glassy materials, and the results were compared with their crystalline counterparts. The two diffraction techniques yielded similar results in most cases and identified distinct intramolecular and intermolecular correlations. The intramolecular scattering was calculated based on the crystal structure and fit to the measured X-ray structure factor. The resulting intermolecular pair distribution functions revealed broad-nearest and next-nearest neighbor molecule-molecule correlations. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association J Pharm Sci 102:1290-1300, 2013. Copyright © 2013 Wiley Periodicals, Inc.

  18. EXPERIMENTAL ANALYSIS OF BIOLOGICAL PARAMETERS AND VECTOR ABILITY OF GLASSY-WINGED SHARPSHOOTERS FROM ALLOPATRIC POPULATIONS IN CALIFORNIA

    The glassy-winged sharpshooter (GWSS), Homalodisca vitripennis (Germar), is native to the southeastern United States and northeastern Mexico. It was detected in southern California in the late 1980s and in the San Joaquin Valley in 1999, where it transmits the bacterium Xylella fastidiosa to grapev...

  19. Prediction of new ground-state crystal structure of T a2O5

    Yang, Yong; Kawazoe, Yoshiyuki

    2018-03-01

    Tantalum pentoxide (T a2O5 ) is a wide-gap semiconductor which has important technological applications. Despite the enormous efforts from both experimental and theoretical studies, the ground-state crystal structure of T a2O5 is not yet uniquely determined. Based on first-principles calculations in combination with evolutionary algorithm, we identify a triclinic phase of T a2O5 , which is energetically much more stable than any phases or structural models reported previously. Characterization of the static and dynamical properties of the phase reveals the common features shared with previous metastable phases of T a2O5 . In particular, we show that the d spacing of ˜3.8 Å found in the x-ray diffraction patterns of many previous experimental works is actually the radius of the second Ta-Ta coordination shell as defined by radial distribution functions.

  20. Solid-state reaction kinetics and optical studies of cadmium doped magnesium hydrogen phosphate crystals

    Verma, Madhu; Gupta, Rashmi; Singh, Harjinder; Bamzai, K. K.

    2018-04-01

    The growth of cadmium doped magnesium hydrogen phosphate was successfully carried out by using room temperature solution technique i.e., gel encapsulation technique. Grown crystals were confirmed by single crystal X-ray diffraction (XRD). The structure of the grown crystal belongs to orthorhombic crystal system and crystallizes in centrosymmetric space group. Kinetics of the decomposition of the grown crystals were studied by non-isothermal analysis. Thermo gravimetric / differential thermo analytical (TG/DTA) studies revealed that the grown crystal is stable upto 119 °C. The various steps involved in the thermal decomposition of the material have been analysed using Horowitz-Metzger, Coats-Redfern and Piloyan-Novikova equations for evaluating various kinetic parameters. The optical studies shows that the grown crystals possess wide transmittance in the visible region and significant optical band gap of 5.5ev with cut off wavelength of 260 nm.

  1. In situ Spectroscopy of Solid-State Chemical Reaction in PbBr2-Deposited CsBr Crystals

    Kondo, Shin-ichi; Matsunaga, Toshihiro; Saito, Tadaaki; Asada, Hiroshi

    2003-09-01

    It is possible to measure the fundamental optical absorption spectra of CsPbBr3 and Cs4PbBr6, whose stability is predicted by the study of phase diagram in the binary system CsBr-PbBr2, by means of in situ optical absorption and reflection spectroscopy of thermally induced solid-state chemical reaction in PbBr2-deposited CsBr crystals. On heavy annealing of the crystals, the Pb2+ ions are uniformly dispersed in the crystal matrix. The present experiment provides a novel method for measuring intrinsic optical absorption of ternary metal halides and also for in situ monitoring of doping metal halide crystal with impurities (metal ions or halogen ions).

  2. EDTA modified glassy carbon electrode: Preparation and characterization

    Ustuendag, Zafer; Solak, Ali Osman

    2009-01-01

    EDTA-phenoxyamide modified glassy carbon electrode (EDTA-GC) was prepared at a glassy carbon electrode by surface synthesis. In the first step, nitrophenyl was grafted to the glassy carbon (GC) surface via the electrochemical reduction of its tetraflouroborate diazonium salt. In the second step, nitrophenyl-modified electrode (NP-GC) was subjected to the cathodic potential scan to reduce the nitro to amine group. p-Aminophenyl modified glassy carbon electrode (AP-GC) was dipped into a EDTA solution containing 1-ethyl-3(3-(dimethlyamino)propyl)-carbodiimide (EDC) as an activating agent. Thus formed ((2-anilino-2-oxoethyl){2-[bis(carboxymethyl)amino]-ethyl}amino)acetic acid modified GC electrode was denoted as EDTA-GC and characterized by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), ellipsometry and X-ray photoelectron spectroscopy (XPS). Complexation of the EDTA-GC surface with Pb 2+ ions was investigated if this electrode could be used as a metal sensor.

  3. Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane.

    Kowalewska, A; Nowacka, M; Włodarska, M; Zgardzińska, B; Zaleski, R; Oszajca, M; Krajenta, J; Kaźmierski, S

    2017-10-18

    Reactive octahedral silsesquioxanes of rod-like [octakis(3-chloropropyl)octasilsesquioxane - T 8 (CH 2 CH 2 CH 2 Cl) 8 ] and spherical [octavinyloctasilsesquioxane - T 8 (CH[double bond, length as m-dash]CH 2 ) 8 ] structure can undergo reversible thermally induced phase transitions in the solid state. The phase behaviour has been studied with differential scanning calorimetry (DSC, including temperature modulated DSC), X-ray diffraction, dielectric relaxation spectroscopy (DRS), and nuclear magnetic resonance spectroscopy in the solid state (SS NMR), as well as positron annihilation lifetime spectroscopy (PALS) and polarized optical microscopy (POM). The mechanisms involving fitting the molecules into most symmetrical crystal lattices vary for species of different structure. Thermal energy can be used to expand the crystal lattice leading to thermochromism in the case of T 8 (CH[double bond, length as m-dash]CH 2 ) 8 or conversely to an unusual negative thermal expansion of crystals of T 8 (CH 2 CH 2 CH 2 Cl) 8 that results in their self-actuation. The complex behaviour is reflected in unusual changes in the capacitance and fractional free volume of the material. These phenomena can be used for molecular design of advanced well-defined hybrid materials capable of reversible thermally induced structural transformations. The findings present a new perspective for POSS-based flexible metal-organic frameworks (MOF) of cooperative structural transformability via entropy-based translational sub-net sliding.

  4. Creation and evolution of excited states in α particle tracks in anthracene crystals

    Klein, G.

    1977-01-01

    The kinematics of excited states in anthracene crystals bombarded by 5MeV α particles is studied. The elementary processes which account for the transitions from the primary excited states to the lowest singlet S 1 and triplet T 1 excited states is described. The equation governing the evolution of the S 1 and T 1 excitons in the α particle track are then solved, and the scintillation decay curve is calculated. This calculated result is in good agreement with all available experimental results. The experimental part of this work are scintillation decay curves measurements. The scintillation decay was measured between 0.5nsec and 40μsec. The influence of the initial very fast singlet excitons quenching by triplet excitons can be seen in the beginning of scintillation. The delayed component is described by the triplet excitons kinematics. The magnetic field effect on the scintillation was investigated. This effect is attributed to an effect on the T 1 -T 1 annihilation and an effect on the triplet excitons quenching by radicals which are formed in the α particle track

  5. Generation of Light Scattering States in Cholesteric Liquid Crystals by Optically Controlled Boundary Conditions

    Timothy J. Bunning

    2013-03-01

    Full Text Available Circularly polarized light was previously employed to stimulate the reversible and reconfigurable writing of scattering states in cholesteric liquid crystal (CLC cells constructed with a photosensitive layer. Such dynamic photodriven responses have utility in remotely triggering changes in optical constructs responsive to optical stimulus and applications where complex spatial patterning is required. Writing of scattering regions required the handedness of incoming radiation to match the handedness of the CLC and the reflection bandwidth of the CLC to envelop the wavelength of the incoming radiation. In this paper, the mechanism of transforming the CLC into a light scattering state via the influence of light on the photosensitive alignment layer is detailed. Specifically, the effects of: (i the polarization state of light on the photosensitive alignment layer; (ii the exposure time; and (iii the incidence angle of radiation on domain formation are reported. The photogenerated light-scattering domains are shown to be similar in appearance between crossed polarizers to a defect structure that occurs at a CLC/air interface (i.e., a free CLC surface. This observation provides strong indication that exposure of the photosensitive alignment layer to the circularly polarized light of appropriate wavelength and handedness generates an out-of-plane orientation leading to a periodic distortion of the original planar structure.

  6. Effect of cooling rate on microstructure and deformation behavior of Ti-based metallic glassy/crystalline powders

    Wang, D.J. [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Huang, Y.J. [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); Shen, J., E-mail: junshen@hit.edu.cn [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); Wu, Y.Q.; Huang, H. [School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Zou, J., E-mail: j.zou@uq.edu.au [School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Centre for Microscopy and Microanalysis, University of Queensland, Brisbane, QLD 4072 (Australia)

    2010-08-20

    The microstructures and deformation behavior of Ti-based metallic powders were comprehensively investigated. It has been found that, with increasing the powder size, the phase constituent alters from pure glassy to glassy with crystalline phases (face centered cubic structured NiSnZr and hexagonal structured Ti{sub 3}Sn phases). Our results suggest that the synergetic effect of the thermodynamics and kinetics determines the subsequent characteristics of the crystalline precipitations. Through comparative nanoindentation tests, it was found that the small powders exhibit more pop-in events and a larger pile-up ratio, suggesting that the plastic deformation of the metallic powders is governed by the combined effects of the free volume and the crystallization, which are determined by the cooling rate.

  7. Crystal structure, magnetism, {sup 89}Y solid state NMR, and {sup 121}Sb Moessbauer spectroscopic investigations of YIrSb

    Benndorf, Christopher [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Heletta, Lukas; Block, Theresa; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Eckert, Hellmut [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institute of Physics in Sao Carlos, University of Sao Paulo, Sao Carlos (Brazil)

    2017-02-15

    The ternary antimonide YIrSb was synthesized from the binary precursor YIr and elemental antimony by a diffusion controlled solid-state reaction. Single crystals were obtained by a flux technique with elemental bismuth as an inert solvent. The YIrSb structure (TiNiSi type, space group Pnma) was refined from single-crystal X-ray diffractometer data: a = 711.06(9), b = 447.74(5), c = 784.20(8) pm, wR{sub 2} = 0.0455, 535 F{sup 2} values, 20 variables. {sup 89}Y solid state MAS NMR and {sup 121}Sb Moessbauer spectra show single resonance lines in agreement with single-crystal X-ray data. YIrSb is a Pauli paramagnet. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Early stage crystallization kinetics in metallic glass-forming alloys

    Louzguine-Luzgin, Dmitri V.

    2014-01-01

    Highlights: • Heterogeneous nucleation may precede the homogeneous one in an alloy. • High kinetic constants and the nucleation rate at the initial stage. • Metallic glasses have heterogeneous nucleation sites which saturate later. -- Abstract: The crystallization kinetics and structural changes of a few metallic glassy alloys were monitored using X-ray diffraction, transmission electron microscopy, differential scanning and isothermal calorimetry methods. Microstructural observations were used to estimate the nucleation and growth rates. A clear comparison of the differences in the crystallization kinetics in the metallic glassy samples is observed at the early and later crystallization stages

  9. Short review of high-pressure crystal growth and magnetic and electrical properties of solid-state osmium oxides

    Yamaura, Kazunari, E-mail: YAMAURA.Kazunari@nims.go.jp [Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Graduate School of Chemical Sciences and Engineering, Hokkaido University, North 10 West 8, Kita-ku, Sapporo, Hokkaido 060-0810 (Japan)

    2016-04-15

    High-pressure crystal growth and synthesis of selected solid-state osmium oxides, many of which are perovskite-related types, are briefly reviewed, and their magnetic and electrical properties are introduced. Crystals of the osmium oxides, including NaOsO{sub 3}, LiOsO{sub 3}, and Na{sub 2}OsO{sub 4}, were successfully grown under high-pressure and high-temperature conditions at 6 GPa in the presence of an appropriate amount of flux in a belt-type apparatus. The unexpected discovery of a magnetic metal–insulator transition in NaOsO{sub 3}, a ferroelectric-like transition in LiOsO{sub 3}, and high-temperature ferrimagnetism driven by a local structural distortion in Ca{sub 2}FeOsO{sub 6} may represent unique features of the osmium oxides. The high-pressure and high-temperature synthesis and crystal growth has played a central role in the development of solid-state osmium oxides and the elucidation of their magnetic and electronic properties toward possible use in multifunctional devices. - Graphical Abstract: Flux-grown crystals of NaOsO{sub 3} under high-pressure and high-temperature conditions in a belt-type apparatus. The crystal shows a magnetically driven metal–insulator transition at a temperature of 410 K. - Highlights: • Short review of high-pressure crystal growth of solid-state osmium oxides. • Wide variety of magnetic properties of solid-state osmium oxides. • Perovskite and related dense structures stabilized at 3–17 GPa.

  10. Irradiation-induced defects in graphite and glassy carbon studied by positron annihilation

    Hasegawa, M.; Kajino, M.; Kuwahara, H.; Yamaguchi, S.; Kuramoto, E.; Takenaka, M.

    1992-01-01

    ACAR and positron lifetime measurements have been made on, HOPG, isotropic fine-grained graphites, glassy carbons and C 60 /C 70 . HOPG showed a marked bimodal ACAR distribution along the c-axis. By irradiation of 1.0 X 10 19 fast neutrons/cm 2 remarkable narrowing in the ACAR curves and disappearance of the bimodal distribution were observed. Lifetime in HOPG increased from 225 psec to 289 psec (positron-lifetime in vacancies and their small clusters) by the irradiation. The irradiation on isotropic graphites and glassy carbons, however, gave slight narrowing in ACAR curves and decrease in lifetimes (360 psec → 300psec). This suggests irradiation-induced vacancy trapping in crystallites. In C 60 /C 70 powder two lifetime components were detected: τ 1 =177psec, τ 2 =403psec (I 2 =58%). The former is less than the bulk lifetime of HOPG, while the latter being very close to lifetimes in the isotropic graphites and glassy carbons. This and recent 2D-ACAR study of HOPG surface [15] strongly suggest free and defect surface states around ''soccer ball'' cages

  11. Triphenylene columnar liquid crystals: spectroscopic study of triplets states and charge carriers

    Bondkowski, Jens

    2000-01-01

    This research thesis reports the study of three oxygenated derivatives of triphenylene (two monomers, a symmetric one and an asymmetric one, and a tetramer) by using different experimental techniques: absorption spectroscopy and fluorescence spectroscopy in stationary regime, and time-resolved fluorescence spectroscopy (also said single photon counting). Moreover, the author adapted an existing experiment of transient absorption spectroscopy time-resolved at the microsecond level to obtain spectra of thin layers under electric field. A cyclic voltammetry experiment and a spectro-electrochemistry experiment have also been performed. The report first presents the studied materials, the characterisation of singlet states, and the study of the effect molecular symmetry decreasing have on molecular transitions. Then, the author reports the study of cationic species of the triphenylene derivatives. The next chapters address the characterisation of derivative triplet states, and the study of energy transfer within the meso phase of one of these derivatives. The last chapters address charge carriers of columnar liquid crystals, and the molecular nature of these charge carriers

  12. Determination of Fe charge-state distributions in PLT by Bragg crystal x-ray spectroscopy

    Hill, K.W.; von Goeler, S.; Bitter, M.

    1978-08-01

    A curved-crystal Bragg x-ray spectrometer has been used to measure Kα or 1s-2p radiation from highly stripped Fe XVIII to Fe XXV impurity ions in the PLT tokamak. The spectrometer has sufficient energy resolution (approximately < 4 eV at 6400 eV) to distinguish between the different ionization states of iron by measuring the energy shift of the Kα x rays. The measured wavelengths agree well with theory and with spectra from solar flares and from laser-produced plasmas. The distribution of Fe charge states in the center of the discharge has been inferred from a comparison of the measured x-ray spectrum with theory. The shape of the spectrum depends strongly on electron temperature (T/sub e/) in the range T/sub e/ = 800 to 1500 eV. Within the factor of two uncertainty in L-shell ionization cross sections, measured intensities agree with theory, which is based on coronal equilibrium, indicating that the ion life-time in the center of the plasma is approximately equal to or greater than the equilibration time

  13. Local density of optical states in the band gap of a finite one-dimensional photonic crystal

    Yeganegi Dastgerdi, Elahe; Lagendijk, Aart; Mosk, Allard; Vos, Willem L.

    2014-01-01

    We study the local density of states (LDOS) in a finite photonic crystal, in particular in the frequency range of the band gap. We propose an original point of view on the band gap, which we consider to be the result of vacuum fluctuations in free space that tunnel in the forbidden range in the

  14. Structural and mechanical properties of glassy water in nanoscale confinement.

    Lombardo, Thomas G; Giovambattista, Nicolás; Debenedetti, Pablo G

    2009-01-01

    We investigate the structure and mechanical properties of glassy water confined between silica-based surfaces with continuously tunable hydrophobicity and hydrophilicity by computing and analyzing minimum energy, mechanically stable configurations (inherent structures). The structured silica substrate imposes long-range order on the first layer of water molecules under hydrophobic confinement at high density (p > or = 1.0 g cm(-3)). This proximal layer is also structured in hydrophilic confinement at very low density (p approximately 0.4 g cm(-3)). The ordering of water next to the hydrophobic surface greatly enhances the mechanical strength of thin films (0.8 nm). This leads to a substantial stress anisotropy; the transverse strength of the film exceeds the normal strength by 500 MPa. The large transverse strength results in a minimum in the equation of state of the energy landscape that does not correspond to a mechanical instability, but represents disruption of the ordered layer of water next to the wall. In addition, we find that the mode of mechanical failure is dependent on the type of confinement. Under large lateral strain, water confined by hydrophilic surfaces preferentially forms voids in the middle of the film and fails cohesively. In contrast, water under hydrophobic confinement tends to form voids near the walls and fails by loss of adhesion.

  15. Structural state diagram of concentrated suspensions of jammed soft particles in oscillatory shear flow

    Khabaz, Fardin; Cloitre, Michel; Bonnecaze, Roger T.

    2018-03-01

    In a recent study [Khabaz et al., Phys. Rev. Fluids 2, 093301 (2017), 10.1103/PhysRevFluids.2.093301], we showed that jammed soft particle glasses (SPGs) crystallize and order in steady shear flow. Here we investigate the rheology and microstructures of these suspensions in oscillatory shear flow using particle-dynamics simulations. The microstructures in both types of flows are similar, but their evolutions are very different. In both cases the monodisperse and polydisperse suspensions form crystalline and layered structures, respectively, at high shear rates. The crystals obtained in the oscillatory shear flow show fewer defects compared to those in the steady shear. SPGs remain glassy for maximum oscillatory strains less than about the yield strain of the material. For maximum strains greater than the yield strain, microstructural and rheological transitions occur for SPGs. Polydisperse SPGs rearrange into a layered structure parallel to the flow-vorticity plane for sufficiently high maximum shear rates and maximum strains about 10 times greater than the yield strain. Monodisperse suspensions form a face-centered cubic (FCC) structure when the maximum shear rate is low and hexagonal close-packed (HCP) structure when the maximum shear rate is high. In steady shear, the transition from a glassy state to a layered one for polydisperse suspensions included a significant induction strain before the transformation. In oscillatory shear, the transformation begins to occur immediately and with different microstructural changes. A state diagram for suspensions in large amplitude oscillatory shear flow is found to be in close but not exact agreement with the state diagram for steady shear flow. For more modest amplitudes of around one to five times the yield strain, there is a transition from a glassy structure to FCC and HCP crystals, at low and high frequencies, respectively, for monodisperse suspensions. At moderate frequencies, the transition is from glassy to HCP via

  16. Electrical conductivity of oxides from molten state to glassy. Effect on the incorporation of RuO{sub 2} particles; Conductivite electrique des verres et fontes d'oxides. Effets de l'incorporation de particules RuO{sub 2}

    Simonnet, C

    2004-07-01

    This study concerns the electrical conductivity of oxides from molten state to glassy state and, in particular, the effect of the incorporation of RuO{sub 2} particles in the context of vitrification of radioactive waste. The material of interest in the nuclear field is basically a viscous or vitreous borosilicate containing a dispersion of RuO{sub 2} microcrystals. A very simple model of this heterogeneous material has been studied in particular (SiO{sub 2}, B{sub 2}O{sub 3}, Na{sub 2}O, RuO{sub 2}). An original method of impedance measurement in the liquid at high temperature yields reliable electrical conductivity values over a temperature range covering the liquid and vitreous phases of the borosilicates studied. In the borosilicate matrix, alkaline transport is mainly responsible for the ionic conduction. The temperature dependence of the conductivity may thus be represented by an equation combining a VFT law and an Arrhenius law to represent the electrical conductivity above and below T{sub g}. Beyond a critical volume fraction V{sub c} {approx} 0.01 of RuO{sub 2}, an electronic contribution is added to the ionic contribution of the matrix and the electrical conductivity increases significantly with the RuO{sub 2} content. This effect is described in terms of electrical percolation of the particle network. An electronic mechanism by tunnel transfer between particles is demonstrated. A mathematical model is developed to describe this mechanism in the solid composite. Beyond T{sub g}, conduction by the tunnel effect persists and the partial solubilization of RuO{sub 2} appears to be mainly responsible for the significant increase in electronic conductivity with the temperature. (author)

  17. Treatment of early glassy cell carcinoma of uterine cervix

    Kim, Ok Bae; Kim, Jin Hee; Choi, Tae Jin

    2006-01-01

    The purpose of this study was to investigate the clinical findings, treatment, and outcome of patients with glassy cell carcinoma of cervix. We reviewed all cases of glassy cell carcinoma of the uterine cervix confirmed and treated at the Dongsan Medical Center, Keimyung University, between January 1993 and December 2005. There were 7 cases with histopathologically confirmed gassy cell carcinoma. A tumor was diagnosed as glassy cell carcinoma if over 50% of the tumor cell type displayed glassy cell features. Six patients with stage IB had radical hysterectomy and bilateral pelvic node dissection, and 2 of them received adjuvant external pelvic irradiation with concurrent chemotherapy. Remaining one patient with stage IIA had curative concurrent chemoradiotherapy with external pelvic irradiation and brachytherapy. There were 7 patients diagnosed as glassy cell carcinoma among the 3,745 (0.2%) patients of carcinoma of uterine cervix. The mean age of 7 patients was 44 years with range of 35 to 53 years of age. The most frequent symptom was vaginal bleeding (86%). By the punch biopsy undertaken before treatment of 7 cases, 2 only cases could diagnose as glassy cell carcinoma of uterine cervix, but remaining of them confirmed by surgical pathological examination. The mean follow up duration was 73 months with range of 13 to 150 months. All 7 patients were alive without disease after treatment. Glassy cell carcinoma of the uterine cervix is a distinct clinicopathologic entity that demonstrates an aggressive biologic behavior. However for early-stage disease, we may have more favorable clinical outcome with radical surgery followed by chemoradiotherapy

  18. Radiation heredity: unusual structural-phase states and metallic crystals properties

    Melikhov, V.D.; Skakov, M.K.

    1998-01-01

    Some experimental results allowing to judge about possibilities of unusual structural phase states formation during use irradiation and high temperature treatment of metallic crystals are considered. During study of pure (99.99 %) and especially pure (99.999 %) aluminium it was established, that after heating of preliminary irradiated samples in reactor, and non-irradiated ones up to temperatures above melting point (660 deg C), but not higher than 820 deg C, and cooling an microstructure and substructure of both irradiated and non-irradiated metals have been essentially distinguished with each other. If first of them had typically polycrystal construction, that second one was monocrystal with good developed initial substructure. Radiation effects have been preserved even in liquid metal if it was not overheated higher critical point, which is determined by phase transition from quasi-liquid state to true liquid one. During study of irradiation and postradiation treatment of structure and properties of intermetallides Fe 3 Al it was revealed, that in initially irradiated regulated alloys the radiation effect is preserving at heating of above 0.85 T melt (that essentially exceed order-disorder transition temperature) (550 deg C) in non-irradiated alloys of prolonged exposure and hardening. At that, irradiated-hardened alloy distinguishing from not hardened one by lattice parameter (on 0.1 %), by configuration of nearest surrounding of iron atoms in elementary cell, by regulating extent of different kind of atoms in lattice knocks. It was revealed, that at fluence (5·10 24 n·m 2 ) an appearance of new phases, distinguishing from matrix by component content. It was shown, that irradiation and post-radiation treatment are methods for creation unusual structural-phase states and attach to metals and alloys new properties

  19. New thermal neutron solid-state electronic detector based on HgI2 crystals

    Melamud, M.; Burshtein, Z.

    1983-07-01

    We describe the development of a new solid-state electronic neutron detector, based on HgI 2 single crystals. Incident neutrons are absorbed in high neutron absorbing foils, such as cadmium or gadolinium, which are placed in front of a HgI 2 detector. Gamma rays, emitted as a result of the neutron absorbtion, are then absorbed in the HgI 2 , generating free charge carriers, which are collected by the electric field. The advantage of this system lies in it's manufacturing simplicity, low weight and small physical dimensions, compared to gas-filled conventional neutron detectors. The disadvantage is that the system does not discriminate between gamma rays and neutrons. A method to minimize this disadvantage is pointed out. It is as well possible to count neutrons by direct exposure of the HgI 2 to neutrons. The neutron-to-gamma transformation in that case takes place by the material nuclei themselves. This method, however, is impractical due to the interference of delayed radioactivity whose origin are 129 I nuclei. They are generated from 128 I by absorbing a neutron, and decay with a 25 min half lifetime involving gamma emissions. (author)

  20. Cr 3d surface and bulk states in Sn1-xCrxTe/Cr crystals

    Guziewicz, E.; Szamota-Sadowska, K.; Kowalski, B.J.; Grodzicka, E.; Story, T.; Orlowski, B.A.; Johnson, R.L.

    1997-01-01

    We report a new approach to investigate metal-semiconductor interface formation. Photoemission spectroscopy was applied in order to investigate the clean surface of a Sn 0.97 Cr 0.03 Te crystal and to observe its changes under sequential deposition of small amounts of Cr atoms. In order to analyse the Cr 3d contribution to the valence band, the Fano-type resonance tuned to the Cr 3p-3d transmission was used. The experiment was designed to follow the Sn 0.97 Cr 0.03 Te/Cr interface formation process. At the clean Sn 0.97 Cr 0.03 Te surface, the Cr 3d states contribution to the valence band was found to be positioned 0.8 eV below Fermi level. After the Cr deposition processes the contribution shifted to a higher binding energy and another contribution 5.8 eV below the Fermi level also observed. (author)

  1. Solid state synthesis, crystal growth and optical properties of urea and p-chloronitrobenzene solid solution

    Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Kant, Shiva; Reddi, R.S.B. [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Ganesamoorthy, S. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); Gupta, P.K. [Laser Materials Development & Devices Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2016-01-15

    Urea is an attractive material for frequency conversion of high power lasers to UV (for wavelength down to 190 nm), but its usage is hindered due to its hygroscopic nature, though there is no alternative organic NLO crystal which could be transparent up to 190 nm. The hygroscopic character of urea has been modified by making the solid solution (UCNB) of urea (U) and p-chloronitrobenzene (CNB). The formation of the solid solution of CNB in U is explained on the basis of phase diagram, powder XRD, FTIR, elemental analysis and single crystal XRD studies. The solubility of U, CNB and UCNB in ethanol solution is evaluated at different temperatures. Transparent single crystals of UCNB are grown from its saturated solution in ethanol. Optical properties e.g., second harmonic generation (SHG), refractive index and the band gap for UCNB crystal were measured and their values were compared with the parent compounds. Besides modification in hygroscopic nature, UCNB has also shown the higher SHG signal and mechanical hardness in comparison to urea crystal. - Highlights: • The hygroscopic character of urea was modified by making the solid solution • Solid solution formation is support by elemental, powder- and single crystal XRD • Crystal of solid solution has higher SHG signal and mechanical stability. • Refractive index and band gap of solid solution crystal have determined.

  2. Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal

    Platunov, M. S.; Dudnikov, V. A.; Orlov, Yu. S.; Kazak, N. V.; Solovyov, L. A.; Zubavichus, Ya. V.; Veligzhanin, A. A.; Dorovatovskii, P. V.; Vereshchagin, S. N.; Shaykhutdinov, K. A.; Ovchinnikov, S. G.

    2016-02-01

    X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Co K-edge and Gd L 3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L 3-edge is due to an increase in the degree of hybridization of the Gd(5 d) and O(2 p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.

  3. Glassy behavior in the layered perovskites La{sub 2-x}Sr{sub x}CoO{sub 4}(1.1{<=}x{<=}1.3)

    Mukherjee, S., E-mail: sanseb68@yahoo.co.in [Department of Physics, University of Burdwan, Burdwan 713104 (India); Mukherjee, Rajarshi [Department .of Physics, University of Burdwan, Burdwan 713104 (India); Banerjee, S.; Ranganathan, R. [Saha Institute of Nuclear Physics, Kolkata 700 064 (India); Kumar, Uday [Department of Physical Sciences, Indian Institute of Science Education and Research - Kolkata, Mohonpur 741252 (India)

    2012-03-15

    The glassy behavior of the phase segregated state in the layered cobaltite La{sub 2-x}Sr{sub x}CoO{sub 4} has been studied. The role of the inter-cluster interactions as well as the disordered spins at the paramagnetic-ferromagnetic interface, behind the observed glassy behavior have been investigated. The disordered spins at the interface appear to be strongly pinned, and they contribute little to the observed glassy behavior. On the other hand, the inter-cluster interactions play the key role. Both the Co{sup 4+} and Co{sup 3+} ions are in the intermediate spin state. - Highlights: Black-Right-Pointing-Pointer Phase segregated state of cobaltite La{sub 2-x}Sr{sub x}CoO{sub 4} for (1.1{<=}x{<=}1.3) to find the origin of the observed glassy behavior. Black-Right-Pointing-Pointer Result of the frequency dependent ac susceptibility measurement excludes the possibility of any spin glass phase, hints strong inter-cluster interactions. Black-Right-Pointing-Pointer Relaxation experiments confirm the system to be a collection of clusters with two preferred sizes. Black-Right-Pointing-Pointer The glassy behavior originates from strong inter-cluster interactions.

  4. Glassy behavior in the layered perovskites La2−xSrxCoO4(1.1≤x≤1.3)

    Mukherjee, S.; Mukherjee, Rajarshi; Banerjee, S.; Ranganathan, R.; Kumar, Uday

    2012-01-01

    The glassy behavior of the phase segregated state in the layered cobaltite La 2−x Sr x CoO 4 has been studied. The role of the inter-cluster interactions as well as the disordered spins at the paramagnetic–ferromagnetic interface, behind the observed glassy behavior have been investigated. The disordered spins at the interface appear to be strongly pinned, and they contribute little to the observed glassy behavior. On the other hand, the inter-cluster interactions play the key role. Both the Co 4+ and Co 3+ ions are in the intermediate spin state. - Highlights: ► Phase segregated state of cobaltite La 2−x Sr x CoO 4 for (1.1≤x≤1.3) to find the origin of the observed glassy behavior. ► Result of the frequency dependent ac susceptibility measurement excludes the possibility of any spin glass phase, hints strong inter-cluster interactions. ► Relaxation experiments confirm the system to be a collection of clusters with two preferred sizes. ► The glassy behavior originates from strong inter-cluster interactions.

  5. Thermodynamics of Supercooled and Glassy Water

    Debenedetti, Pablo G.

    1998-03-01

    The behavior of metastable water at low temperatures is unusual. The isothermal compressibility, the isobaric heat capacity, and the magnitude of the thermal expansion coefficient increase sharply upon supercooling, and structural relaxation becomes extremely sluggish at temperatures far above the glass transition(Angell, C.A., Annu. Rev. Phys. Chem., 34, 593, 1983)(Debenedetti, P.G., Metastable Liquids. Concepts and Principles, Princeton University Press, 1996). Water has two distinct glassy phases, low- and high-density amorphous ice (LDA, HDA). The transition between LDA and HDA is accompanied by sharp volume and enthalpy changes, and appears to be first-order(Mishima, O., L.D.Calvert, and E. Whalley, Nature, 314, 76, 1985)(Mishima, O., J. Chem. Phys., 100, 5910, 1994). The understanding of these observations in terms of an underlying global phase behavior remains incomplete(Speedy, R.J., J. Phys. Chem., 86, 982, 1982)(Poole, P.H., F. Sciortino, U. Essman, and H.E. Stanley, Nature, 360, 324, 1992)(Sastry, S., P.G. Debenedetti, F. Sciortino, and H.E. Stanley, Phys. Rev. E, 53, 6144, 1996)(Tanaka, H., Nature, 380, 328, 1996)(Xie, Y., K.F. Ludwig, G. Morales, D.E. Hare, and C.M. Sorensen, Phys. Rev. Lett., 71, 2050, 1993). Microscopic theories and computer simulations suggest several scenarios that can reproduce some experimental observations. Interesting and novel ideas have resulted from this body of theoretical work, such as the possibility of liquid-liquid immiscibility in a pure substance(Poole, P.H., F.Sciortino, T.Grande, H.E. Stanley, and C.A. Angell, Phys. Rev. Lett., 73, 1632, 1994)(Roberts, C.J., and P.G. Debenedetti, J. Chem. Phys., 105, 658, 1996)(Roberts, C.J., P.G. Debenedetti, and A.Z. Panagiotopoulos, Phys. Rev. Lett., 77, 4386, 1996)(Harrington, S., R. Zhang, P.H. Poole, F. Sciortino, and H.E. Stanley, Phys. Rev. Lett., 78, 2409, 1997). In this talk I will review the experimental facts, discuss their theoretical interpretation, and identify key

  6. Annealing effect on thermal conductivity and microhardness of carbon nanotube containing Se80Te16Cu4 glassy composites

    Upadhyay, A. N.; Tiwari, R. S.; Singh, Kedar

    2018-02-01

    This study deals with the effect of thermal annealing on structural/microstructural, thermal and mechanical behavior of pristine Se80Te16Cu4 and carbon nanotubes (CNTs) containing Se80Te16Cu4 glassy composites. Pristine Se80Te16Cu4, 3 and 5 wt%CNTs-Se80Te16Cu4 glassy composites are annealed in the vicinity of glass transition temperature to onset crystallization temperature (340-380 K). X-ray diffraction (XRD) pattern revealed formation of polycrystalline phases of hexagonal CuSe and trigonal selenium. The indexed d-values in XRD patterns are in well conformity with the d-values obtained after the indexing of the ring pattern of selected area electron diffraction pattern of TEM images. The SEM investigation exhibited that the grain size of the CNTs containing Se80Te16Cu4 glassy composites increased with increasing annealing temperature and decreased at further higher annealing temperature. Thermal conductivity, microhardness exhibited a substantial increase with increasing annealing temperature of 340-360 K and slightly decreases for 380 K. The variation of thermal conductivity and microhardness can be explained by cross-linking formation and voids reduction.

  7. Grain-boundary, glassy-phase identification and possible artifacts

    Simpson, Y.K.; Carter, C.B.; Sklad, P.; Bentley, J.

    1985-01-01

    Specimen artifacts such as grain boundary grooving, surface damage of the specimen, and Si contamination are shown experimentally to arise from the ion milling used in the preparation of transmission electron microscopy specimens. These artifacts in polycrystalline, ceramic specimens can cause clean grain boundaries to appear to contain a glassy phase when the dark-field diffuse scattering technique, the Fresnel fringe technique, and analytical electron microscopy (energy dispersive spectroscopy) are used to identify glassy phases at a grain boundary. The ambiguity in interpreting each of these techniques due to the ion milling artifacts will be discussed from a theoretical view point and compared to experimental results obtained for alumina

  8. RNA Crystallization

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

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

  9. Influence of Frenkel Excitons and Charge Transfer States on the Spectroscopic Properties of Organic Molecular Crystals

    Gisslén, Linus Mathias

    2010-01-01

    Perylene derivatives are robust organic dyes absorbing and emitting light in the visible range and in the near infrared. They display a strong tendency to self-assemble into molecular aggregates, liquid crystals, or even crystals. In this thesis, we have demonstrated a successful realization of a theoretical approach describing the fundamental interactions influencing on exciton transfer in crystalline perylenes pigments. Furthermore, the microscopic parameter set obtained has allowed to calc...

  10. Fine kinetics of natural physical ageing in glassy As{sub 10}Se{sub 90}

    Balitska, V. [Institute of Materials, Scientific Research Company “Carat”, 202 Stryjska Str., 79031 Lviv (Ukraine); Lviv State University of Vital Activity Safety, 35, Kleparivska Str., Lviv 79007 (Ukraine); Golovchak, R. [Department of Physics and Astronomy, Austin Peay State University, Clarksville, TN 37044 (United States); Kozdras, A. [Faculty of Physics of Opole Technical University, 75, Ozimska Str., Opole 45370 (Poland); Shpotyuk, O., E-mail: shpotyuk@novas.lviv.ua [Institute of Materials, Scientific Research Company “Carat”, 202 Stryjska Str., 79031 Lviv (Ukraine); Institute of Physics, Jan Dlugosz University, Al. Armii Krajowej 13/15, Czestochowa 42201 (Poland)

    2014-02-01

    Sigmoid behavior of natural physical ageing in glassy As{sub 10}Se{sub 90} reveals multi-step-wise growing kinetics of enthalpy losses. Phenomenological description of this kinetics can be adequately developed in terms of first-order relaxation processes, tending atomic structure from initial towards more thermodynamically equilibrium state. This kinetics is shown to obey characteristic stretched exponential behavior originated from a number of growing steps, attributed to the interconnected processes of chalcogen chain alignment and cooperative shrinkage of glass network.

  11. Solid state radiation chemistry of co-crystallized DNA base pairs studied with EPR and ENDOR

    Nelson, W.H.; Nimmala, S.; Hole, E.O.; Sagstuen, E.; Close, D.M.

    1995-01-01

    For a number of years, the authors' group has focused on identification of radicals formed from x-irradiation of DNA components by application of EPR and ENDOR spectroscopic techniques to samples in the form of single crystals. With single crystals as samples, it is possible to use the detailed packing and structural information available from x-ray or neutron diffraction reports. This report summarizes results from two crystal systems in which DNA bases are paired by hydrogen bonding. Extensive results are available from one of these, 1-methyl-thymine:9-methyladenine (MTMA), in which the base pairing is the Hoogsteen configuration. Although this configuration is different from that found by Watson-Crick in DNA, nonetheless the hydrogen bond between T(O4) and A(NH 2 ) is present. Although MTMA crystals have been studied previously, the objective was to apply the high-resolution technique of ENDOR to crystals irradiated and studied at temperatures of 10 K or lower in the effort to obtain direct evidence for specific proton transfers. The second system, from which the results are only preliminary, is 9-ethylguanine:1-methyl-5-fluorocytosine (GFC) in which the G:C bases pair is in the Watson Crick configuration. Both crystal systems are anhydrous, so the results include no possible effects from water interactions

  12. "Non-equilibrium" block copolymer micelles with glassy cores: a predictive approach based on theory of equilibrium micelles.

    Nagarajan, Ramanathan

    2015-07-01

    Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to

  13. Deformed lattice states in a Zn{sub 0.9}V{sub 0.1}Se cubic crystal

    Maksimov, V. I., E-mail: kokailo@rambler.ru; Dubinin, S. F.; Surkova, T. P.; Parkhomenko, V. D. [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation)

    2016-01-15

    Neutron scattering patterns have been recorded for a bulk Zn{sub 0.9}V{sub 0.1}Se cubic crystal at room temperature; they are indicative of macroscopic deformation in the material and its significant inhomogeneity. Specific features of the previously found state, preceding the fcc ↔ hcp structural transformation of the sphalerite lattice upon strong destabilization induced by vanadium ions in the doped ZnSe matrix, are discussed taking into account the data obtained.

  14. Forming a three-dimensional porous organic network via solid-state explosion of organic single crystals.

    Bae, Seo-Yoon; Kim, Dongwook; Shin, Dongbin; Mahmood, Javeed; Jeon, In-Yup; Jung, Sun-Min; Shin, Sun-Hee; Kim, Seok-Jin; Park, Noejung; Lah, Myoung Soo; Baek, Jong-Beom

    2017-11-17

    Solid-state reaction of organic molecules holds a considerable advantage over liquid-phase processes in the manufacturing industry. However, the research progress in exploring this benefit is largely staggering, which leaves few liquid-phase systems to work with. Here, we show a synthetic protocol for the formation of a three-dimensional porous organic network via solid-state explosion of organic single crystals. The explosive reaction is realized by the Bergman reaction (cycloaromatization) of three enediyne groups on 2,3,6,7,14,15-hexaethynyl-9,10-dihydro-9,10-[1,2]benzenoanthracene. The origin of the explosion is systematically studied using single-crystal X-ray diffraction and differential scanning calorimetry, along with high-speed camera and density functional theory calculations. The results suggest that the solid-state explosion is triggered by an abrupt change in lattice energy induced by release of primer molecules in the 2,3,6,7,14,15-hexaethynyl-9,10-dihydro-9,10-[1,2]benzenoanthracene crystal lattice.

  15. Field-induced optically isotropic state in bent core nematic liquid crystals: unambiguous proof of field-induced optical biaxiality

    Elamain, Omaima; Komitov, Lachezar; Hegde, Gurumurthy; Fodor-Csorba, Katalin

    2013-01-01

    The behaviour of bent core (BC) nematic liquid crystals was investigated under dc applied electric field. The optically isotropic state of a sample containing BC nematic was observed under application of low dc electric fields. The quality of the dark state when the sample was inserted between two crossed polarizers was found to be superb and it did not change when rotating the sample between the polarizers. The coupling between the net molecular dipole moment and the applied dc electric field was considered as the origin of the out-of-plane switching of the BC molecules resulting in switching from the field-off bright state to the field-on dark state. The field-induced optically isotropic state is an unambiguous proof of the field-induced biaxiality in the BC nematic liquid crystal. A simple model explaining the appearance of the isotropic optical state in BC nematics and the switching of the sample slow axis between three mutually orthogonal directions under dc applied electric field is proposed. (paper)

  16. Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors

    Wei Zheng

    2016-03-01

    Full Text Available Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors.

  17. EDTA modified glassy carbon electrode: Preparation and characterization

    Ustuendag, Zafer [Dumlupinar University, Faculty of Arts and Sciences, Department of Chemistry, Kuetahya (Turkey); Solak, Ali Osman [Ankara University, Faculty of Science, Department of Chemistry, Degol Street, Tandogan, 06100 Ankara (Turkey)], E-mail: osolak@science.ankara.edu.tr

    2009-11-01

    EDTA-phenoxyamide modified glassy carbon electrode (EDTA-GC) was prepared at a glassy carbon electrode by surface synthesis. In the first step, nitrophenyl was grafted to the glassy carbon (GC) surface via the electrochemical reduction of its tetraflouroborate diazonium salt. In the second step, nitrophenyl-modified electrode (NP-GC) was subjected to the cathodic potential scan to reduce the nitro to amine group. p-Aminophenyl modified glassy carbon electrode (AP-GC) was dipped into a EDTA solution containing 1-ethyl-3(3-(dimethlyamino)propyl)-carbodiimide (EDC) as an activating agent. Thus formed ((2-anilino-2-oxoethyl){l_brace}2-[bis(carboxymethyl)amino]-ethyl{r_brace}amino)acetic acid modified GC electrode was denoted as EDTA-GC and characterized by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), ellipsometry and X-ray photoelectron spectroscopy (XPS). Complexation of the EDTA-GC surface with Pb{sup 2+} ions was investigated if this electrode could be used as a metal sensor.

  18. Glassy carbon supercapacitor: 100,000 cycles demonstrated

    Baertsch, M; Braun, A; Schnyder, B; Koetz, R [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    A 5 V glassy carbon capacitor stack was built consisting of four bipolar and two end-plate electrodes. More than 100,000 charging/discharging cycles were applied to test the stability of the double-layer capacitor. Low and high frequency resistances were measured as a function of the number of cycles. (author) 2 figs., 1 ref.

  19. Playback interference of glassy-winged sharp shooter communication

    Animal communication is vital to reproduction, particularly for securing a mate. Insects commonly communicate by exchanging vibrational signals that are transmitted through host plants. The glassy-winged sharpshooter (GWSS), Homalodisca vitripennis, is an important vector of Xylella fastidiosa, a pl...

  20. Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors.

    Zheng, Wei; van den Hurk, Remko; Cao, Yong; Du, Rongbing; Sun, Xuejun; Wang, Yiyu; McDermott, Mark T; Evoy, Stephane

    2016-03-14

    Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors.

  1. Electrochemical and microstructural characterization of platinum supported on glassy carbon

    Terzić Sanja

    2007-01-01

    Full Text Available The effect of the electrochemical oxidation of glassy carbon on the deposition of platinum particles and the electrocatalytic activity of platinum supported on oxidized glassy carbon were studied for methanol oxidation in H2SO4 solution. Platinum was potentiostatically deposited from H2SO4 + 6mM H2PtCl6 solution. Glassy carbon was anodically polarized in 1 M NaOH at 1.41 V (SCE for 35 and 95 s and in 0.5 M H2SO4 at 2V (SCE for 35; 95 s and 2.25 V for 35 and 95 s. Electrochemical treatment of the GC support leads to a better distribution of platinum on the substrate and has remarkable effect on the activity. The activity of the Pt/GCox electrode for methanol oxidation is larger than that of polycrystalline Pt and by more than one order of magnitude larger than that of a Pt/GC electrode. This increase in activity indicates the pronounced role of the organic residues of the GC support on the properties of Pt particles deposited on glassy carbon.

  2. A study of nanostructured gold modified glassy carbon electrode for ...

    A nanostructured gold modified glassy carbon electrode (Aunano/GCE) was employed for the determination of trace chromium(VI). To prepare Aunano/GCE, the GCE was immersed into KAuCl4 solution and electrodeposition was conducted at the potential of -0.4 V (vs Ag/AgCl) for 600 s. Scanning electron microscopy ...

  3. Electrochemical oxidation of niclosamide at a glassy carbon ...

    Cyclic voltammetry, square-wave voltammetry and controlled potential electrolysis have been used to study the electrochemical oxidation behaviour of niclosamide at a glassy carbon electrode. The number of electrons transferred, the wave characteristics, the diffusion coefficient and reversibility of the reactions have been ...

  4. Equation-free dynamic renormalization in a glassy compaction model

    Chen, L.; Kevrekidis, I. G.; Kevrekidis, P. G.

    2006-01-01

    Combining dynamic renormalization with equation-free computational tools, we study the apparently asymptotically self-similar evolution of void distribution dynamics in the diffusion-deposition problem proposed by Stinchcombe and Depken [Phys. Rev. Lett. 88, 125701 (2002)]. We illustrate fixed point and dynamic approaches, forward as well as backward in time; these can be used to accelerate simulators of glassy dynamic phenomena

  5. Equation-free dynamic renormalization in a glassy compaction model

    Chen, L.; Kevrekidis, I. G.; Kevrekidis, P. G.

    2006-07-01

    Combining dynamic renormalization with equation-free computational tools, we study the apparently asymptotically self-similar evolution of void distribution dynamics in the diffusion-deposition problem proposed by Stinchcombe and Depken [Phys. Rev. Lett. 88, 125701 (2002)]. We illustrate fixed point and dynamic approaches, forward as well as backward in time; these can be used to accelerate simulators of glassy dynamic phenomena.

  6. Relook on fitting of viscosity with undercooling of glassy liquids

    Department of Materials Science and Engineering, Indian Institute of Technology, Kanpur ... The present approach is on the modification of viscosity fitting of undercooled liquid as a function of ... behaviour of glassy alloys and organic and ionic compounds ...... the present method is applied to calculate the analytical solu-.

  7. Crystallization mechanisms of acicular crystals

    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.

  8. Custom synthesized diamond crystals as state of the art radiation dosimeters

    Keddy, R.J.; Nam, T.L.; Fallon, P.J.

    1991-01-01

    The fact that as a radiation detector, diamond is a stable, non-toxic and tissue equivalent (Z = 6) material makes it an ideal candidate for in vivo radiation dosimetry or the dosimetry of general radiation fields in environmental monitoring. Natural diamond crystals, however, have the disadvantage that no two crystals can be guaranteed to have the same response characteristics. This disadvantage can be overcome by synthesizing the crystals under controlled conditions and by using very selective chemistry. Such synthetic diamonds can be used as thermoluminescence dosimeters where they exhibit characteristics comparable to presently available commercial TLD's or they can be used as ionization chambers to produce either ionization currents or pulses where the small physical size of the diamond (1 mm 3 ) and possibilities of digital circuitry makes miniaturization an extremely attractive possibility. It has also been found that they can perform as scintillation detectors. Aspects of the performance characteristics of such diamonds in all three modes are described

  9. Surface temperatures and glassy state investigations in tribology

    Bair, S.; Winer, W. O.

    1980-01-01

    Measurements were made of the limiting shear stress for two naphthenic oils of differing molecular weight and three blends of the lower molecular weight oil and polymers of differing molecular weight. All reached the same limiting shear stress for the same temperature and pressure; although the polymer solutions reduced the limiting shear stress by about fifteen percent. A falling body viscometer was constructed to operate to 230 C and to 0.6 GPa and another was constructed to extend the pressure range to 1.1 GPa. A concentrated contact simulator was developed which allows recording of the traction force while the slide-roll ratio is continuously varied and the rolling speed is maintained essentially constant. Measurement of lubricant minimum film thickness of elliptical EHD contacts of various aspect ratios were made by optical interferometry. The experimental data were thirty percent greater than that predicted by the Hamrock and Dowson model. Preliminary development of the application of a scanning infrared radiation system to a tribological system was completed.

  10. Surface temperatures and glassy state investigations in tribology, part 5

    Bair, S.; Winer, W. O.

    1982-01-01

    Preliminary measurements of high shear rate viscosity at near atmospheric but variable pressure suggest the importance of low normal stress and cavitation or fluid fracture in the type of stress field existing in elastohydrodynam ic inlets and classical hydrodynamic configurations. An experimental basis is given for three regimes of traction in concentrated contacts: a thin film regime characterized by high traction and determined by lambda ratio, a thick film regime characterized by low traction and determined by the speed parameter, and the elastohydrodynamic regime for which traction is controlled by limiting shear stress. Traction measurements were performed with various liquids, two solid lubricants, and a grease. Film thickness and traction measurements of polymer blends and base oils are compared.

  11. Glass Transitions in a Monatomic Liquid with Two Glassy States

    Gordon, Andrew; Giovambattista, Nicolas

    2014-04-01

    We perform out-of-equilibrium molecular dynamics simulations of a monatomic liquid that exhibits liquid and glass polymorphism, with two distinct glasses, low- (LDA) and high-density (HDA) amorphous solids. By performing isobaric heating simulations of LDA and HDA at different pressures, we determine (a) the glass transition temperature of LDA and HDA, TgLDA(P) and TgHDA(P), as well as (b) the corresponding glass-glass transformation temperatures, TLDA-HDA(P) and THDA-LDA(P). It is found that TgLDA(P) is anomalous; i.e., it decreases with increasing pressure, while TgHDA(P) increases with increasing pressure. Interestingly, the TgLDA(P) and TLDA-HDA(P) loci, as well as the TgHDA(P) and THDA-LDA(P) loci, constitute smooth single lines in the P -T plane, suggesting that heating-induced glass-glass and glass transitions are related. We discuss the present results in the context of water experiments and simulations.

  12. Stability of equilibrium states in finite samples of smectic C* liquid crystals

    Stewart, I W

    2005-01-01

    Equilibrium solutions for a sample of ferroelectric smectic C (SmC*) liquid crystal in the 'bookshelf' geometry under the influence of a tilted electric field will be presented. A linear stability criterion is identified and used to confirm stability for typical materials possessing either positive or negative dielectric anisotropy. The theoretical response times for perturbations to the equilibrium solutions are calculated numerically and found to be consistent with estimates for response times in ferroelectric smectic C liquid crystals reported elsewhere in the literature for non-tilted fields

  13. Stability of equilibrium states in finite samples of smectic C* liquid crystals

    Stewart, I W [Department of Mathematics, University of Strathclyde, Livingstone Tower, 26 Richmond Street, Glasgow G1 1XH (United Kingdom)

    2005-03-04

    Equilibrium solutions for a sample of ferroelectric smectic C (SmC*) liquid crystal in the 'bookshelf' geometry under the influence of a tilted electric field will be presented. A linear stability criterion is identified and used to confirm stability for typical materials possessing either positive or negative dielectric anisotropy. The theoretical response times for perturbations to the equilibrium solutions are calculated numerically and found to be consistent with estimates for response times in ferroelectric smectic C liquid crystals reported elsewhere in the literature for non-tilted fields.

  14. Quasi 2D electronic states with high spin-polarization in centrosymmetric MoS2 bulk crystals

    Gehlmann, Mathias; Aguilera, Irene; Bihlmayer, Gustav; Młyńczak, Ewa; Eschbach, Markus; Döring, Sven; Gospodarič, Pika; Cramm, Stefan; Kardynał, Beata; Plucinski, Lukasz; Blügel, Stefan; Schneider, Claus M.

    2016-06-01

    Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization, as long as it is probed locally in real and in reciprocal space. In this article we present the first observation of this type of compensated polarization in MoS2 bulk crystals. Using spin- and angle-resolved photoemission spectroscopy (ARPES), we directly observed a spin-polarization of more than 65% for distinct valleys in the electronic band structure. By additionally evaluating the probing depth of our method, we find that these valence band states at the point in the Brillouin zone are close to fully polarized for the individual atomic trilayers of MoS2, which is confirmed by our density functional theory calculations. Furthermore, we show that this spin-layer locking leads to the observation of highly spin-polarized bands in ARPES since these states are almost completely confined within two dimensions. Our findings prove that these highly desired properties of MoS2 can be accessed without thinning it down to the monolayer limit.

  15. Equation of state calculations for two-dimensional dust coulomb crystal at near zero temperature by molecular dynamics simulations

    Djouder, M., E-mail: djouder-madjid@ummto.dz; Kermoun, F.; Mitiche, M. D.; Lamrous, O. [Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri Tizi-Ouzou, BP 17 RP, 15000 Tizi-Ouzou (Algeria)

    2016-01-15

    Dust particles observed in universe as well as in laboratory and technological plasma devices are still under investigation. At low temperature, these particles are strongly negatively charged and are able to form a 2D or 3D coulomb crystal. In this work, our aim was to check the ideal gas law validity for a 2D single-layer dust crystal recently reported in the literature. For this purpose, we have simulated, using the molecular dynamics method, its thermodynamic properties for different values of dust particles number and confinement parameters. The obtained results have allowed us to invalidate the ideal gas behaviour and to propose an effective equation of state which assumes a near zero dust temperature. Furthermore, the value of the calculated sound velocity was found to be in a good agreement with experimental data published elsewhere.

  16. Crystal structure of a Na+-bound Na+,K+-ATPase preceding the E1P state.

    Kanai, Ryuta; Ogawa, Haruo; Vilsen, Bente; Cornelius, Flemming; Toyoshima, Chikashi

    2013-10-10

    Na(+),K(+)-ATPase pumps three Na(+) ions out of cells in exchange for two K(+) taken up from the extracellular medium per ATP molecule hydrolysed, thereby establishing Na(+) and K(+) gradients across the membrane in all animal cells. These ion gradients are used in many fundamental processes, notably excitation of nerve cells. Here we describe 2.8 Å-resolution crystal structures of this ATPase from pig kidney with bound Na(+), ADP and aluminium fluoride, a stable phosphate analogue, with and without oligomycin that promotes Na(+) occlusion. These crystal structures represent a transition state preceding the phosphorylated intermediate (E1P) in which three Na(+) ions are occluded. Details of the Na(+)-binding sites show how this ATPase functions as a Na(+)-specific pump, rejecting K(+) and Ca(2+), even though its affinity for Na(+) is low (millimolar dissociation constant). A mechanism for sequential, cooperative Na(+) binding can now be formulated in atomic detail.

  17. Equation of state calculations for two-dimensional dust coulomb crystal at near zero temperature by molecular dynamics simulations

    Djouder, M.; Kermoun, F.; Mitiche, M. D.; Lamrous, O.

    2016-01-01

    Dust particles observed in universe as well as in laboratory and technological plasma devices are still under investigation. At low temperature, these particles are strongly negatively charged and are able to form a 2D or 3D coulomb crystal. In this work, our aim was to check the ideal gas law validity for a 2D single-layer dust crystal recently reported in the literature. For this purpose, we have simulated, using the molecular dynamics method, its thermodynamic properties for different values of dust particles number and confinement parameters. The obtained results have allowed us to invalidate the ideal gas behaviour and to propose an effective equation of state which assumes a near zero dust temperature. Furthermore, the value of the calculated sound velocity was found to be in a good agreement with experimental data published elsewhere

  18. Crystallisation of glassy phases in nitride ceramics

    Ghaemi, S.; Swain, M.V.; Bell, T.J.

    1992-01-01

    The covalent nature of Si-N bond, as well as providing its chemical inertness, high hardness and strength, reduces its sinterability and inhibits production of fully dense Si 3 N 4 . Metal oxides are therefore added as sintering aids to achieve a fully dense body. They combine with the surface and present or added silica to form a low temperature liquid silicate. Liquid phase sintering occurs by a solution-precipitation mechanism, where the starting α-Si 3 N 4 powder dissolves in the liquid silicate and is precipitated as β-Si 3 N 4 . This liquid silicate solidifies, forming an amorphous grain boundary phase which degrades the high-temperature mechanical properties. Grain boundary sliding can be prevented and hence the high-temperature mechanical properties improved by increasing the softening point of the intergranular phase. This is done either by altering the glass composition to increase its softening point or by crystallizing the glass to a more refractory phase by post sinter heat treatment. In this study the latter technique is employed. The following results are reported. Addition of alumina increased the bulk density of samples in the Y-Si-O-N system. investigated. Increasing density was accompanied by improved mechanical properties. Crystallisation of amorphous phased improved the mechanical properties of various samples while hardness values increased with increasing annealing time. Microcracks caused by stresses induced as a result of glass crystallisation, can cause the failure of samples. Different specific volumes of crystallized materials can cause stresses that will eventually cause the material to fail. Complete crystallisation of glass in the materials investigated, resulted in increased density, hardness and toughness. 8 refs., 2 tabs., 5 figs

  19. All-solid-state cavity QED using Anderson-localized modes in disordered photonic crystal waveguides

    Lodahl, Peter; Sapienza, Luca; Nielsen, Henri Thyrrestrup

    2010-01-01

    We employ Anderson-localized modes in deliberately disordered photonic crystal waveguides to confine light and enhance the interaction with matter. A 15-fold enhancement of the decay rate of a single quantum dot is observed meaning that 94% of the emitted single photons are coupled to an Anderson...

  20. The influence of the bulk reduction state on the surface structure and morphology of rutile TiO{sub 2}(110) single crystals

    Li, M.; Hebenstreit, W.; Diebold, U.; Tyryshkin, A.M.; Bowman, M.K.; Dunham, G.G.; Henderson, M.A.

    2000-05-25

    The authors have investigated the relationship between different types and amounts of bulk defects and the surface morphology of TiO{sub 2}(110) single crystals prepared by annealing in ultrahigh vacuum and in oxygen. Rutile TiO{sub 2}(110) specimens were cut from the same crystal and were heated in a furnace to different temperatures which resulted in different states of reduction (colors of the crystals). After characterization of the bulk defects with electron paramagnetic resonance (EPR), the specimens were studied with scanning tunneling microscopy (STM), low-energy He{sup +} ion scattering (LEIS), and work function measurements. EPR reveals that darker rutile crystals exhibit higher concentrations of extended Ti{sup 3+} related bulk defects such as crystallographic shear planes (CSP), with a decrease in substitutional and interstitial defects as compared to lighter crystals. Surface structures with (1 x 2) features are preferably formed upon UHV annealing on these darker crystals. LEIS measurements show that all of the crystals' (110) surfaces are reoxidized upon annealing in {sup 18}O{sub 2} (573 K, 1 x 10{sup {minus}6} mbar, 10 min) and that the {sup 18}O surface content is proportional to the bulk reduction state. UV-visible adsorption spectra and resistivity measurements also scale with the reduction states of crystals. Only the (1 x 1) structure is observed on the surface of slightly reduced crystals. Annealing in oxygen induces additional metastable structures, i.e., TiO{sub 2} clusters on blue crystals and rosette networks on dark blue crystals.

  1. Dielectric relaxation studies in super-cooled liquid and glassy phases of anti-cancerous alkaloid: Brucine

    Afzal, Aboothahir; Shahin Thayyil, M.; Sulaiman, M. K.; Kulkarni, A. R.

    2018-05-01

    Brucine has good anti-tumor effects, on both liver cancer and breast cancer. It has bioavailability of 40.83%. Since the bioavailability of the drug is low, an alternative method to increase its bioavailability and solubility is by changing the drug into glassy form. We used Differential Scanning Calorimetry (DSC) for studying the glass forming ability of the drug. Brucine was found to be a very good glass former glass transition temperature 365 K. Based on the DSC analysis we have used broadband dielectric spectroscopy (BDS) for studying the drug in the super cooled and glassy state. BDS is an effective tool to probe the molecular dynamics in the super cooled and glassy state. Molecular mobility is found to be present even in the glassy state of this active pharmaceutical ingredient (API) which is responsible for the instability. Our aim is to study the factors responsible for instability of this API in amorphous form. Cooling curves for dielectric permittivity and dielectric loss revealed the presence of structural (α) and secondary relaxations (β and γ). Temperature dependence of relaxation time is fitted by Vogel-Fulcher-Tammann equation and found the values of activation energy of the α relaxation, fragility and glass transition temperature. Paluch's anti correlation is also verified, that the width of the α-loss peak at or near the glass transition temperature Tg is strongly anticorrelated with the polarity of the molecule. The larger the dielectric relaxation strength Δɛ (Tg) of the system, the narrower is the α-loss peak (higher value of βKWW).

  2. Critical current, pinning and resistive state of superconducting single-crystal niobium with different types of defect structure

    Sokolenko, V.I.; Starodubov, Ya.D.

    2005-01-01

    Critical current pinning and resistive state of single crystal niobium of texture orientation are studied for different structural states obtained by rolling at 20 K by 42% and polishing the surface layers. It is found that the heterogeneous structures typical of the strained sample even after its thinning down to approx 10% display a lower current-carrying capability due to an increase of the thermomagnetic instability within the fragmented structure sections in the near-surface layers. For a homogeneous defect structure of the sample core with the density of equilibrium distributed dislocations of 1.3 centre dot 10 11 cm -2 , a correlation between the normal current density and the critical current density in the resistive state is found, in agreement with the concepts of flux creep due to the scatter of local values of J c

  3. Features of the structural states of KNbO{sub 3} single crystals before and after fast-neutron irradiation

    Stash, A. I., E-mail: astas@yandex.ru; Ivanov, S. A.; Stefanovich, S. Yu.; Mosunov, A. V.; Boyko, V. M.; Ermakov, V. S.; Korulin, A. V.; Kalyukanov, A. I. [State Scientific Center of the Russian Federation Karpov Institute of Physical Chemistry (Russian Federation)

    2017-01-15

    Neutron irradiation is a unique tool for forming new structural states of ferroelectrics, which cannot be obtained by conventional methods. The inf luence of the irradiation by two doses of fast neutrons (F = 1 × 10{sup 17} and 3 × 10{sup 17} cm{sup –2}) on the structure and properties of KNbO{sub 3} single crystals has been considered for the first time. The developed method for taking into account the experimental correction to the diffuse scattering has been used to analyze the structural changes occurring in KNbO{sub 3} samples at T = 295 K and their correlations with the behavior of dielectric and nonlinear optical characteristics. The irradiation to the aforementioned doses retains the KNbO{sub 3} polar structure, shifting Т{sub Ð}¡ to lower temperatures and significantly affecting only the thermal parameters and microstructure of single crystals. Neutron irradiation with small atomic displacements provides a structure similar to the high-temperature modification of an unirradiated KNbO{sub 3} crystal.

  4. Investigation of quantum states of fast electrons under planar channeling in silicon crystals

    Gridnev, V.I.; Kaplin, V.V.; Khlabutin, V.G.; Rozum, E.I.; Vorobiev, S.A.

    1987-01-01

    The angular distributions of (1.87 to 5.7) MeV electrons channeled in 2 μm Si crystals along (100), (110), and (111) atomic planes are measured. The half-width of measured angular distributions is defined by a critical Lindhard angle. A relation is obtained connecting those energies of electrons at which their angular distributions are similar for various atomic planes. The effect of a 'critical energy' under planar channeling of electrons is found and investigated. (author)

  5. Custom synthesized diamond crystals as state of the art radiation detectors

    Keddy, R.J.; Nam, T.L.; Fallon, P.J.

    1990-01-01

    The fact that as a radiation detector, diamond is a stable, non-toxic and tissue equivalent (Z=6) material, makes it an ideal candidate for in vivo radiation dosimetry or the dosimetry of general radiation fields in environmental monitoring. Natural diamond crystals have the disadvantage, however, that no two crystals can be guaranteed to have the same response characteristics. This disadvantage can be overcome by synthesizing the crystals under controlled conditions and by using very selective chemistry. Such synthetic diamonds can be used as thermoluminescence dosimeters (TLDs) where they exhibit characteristics comparable to presently available commercial TLDs or they can be used as ionization chambers to produce either ionization currents or pulses where the small physical size of the diamond (1 mm 3 ) and possibilities of digital circuitry makes miniaturization an extremely attractive possibility. It has also been found that they can perform as scintillation detectors. This contribution describes aspects of the performance characteristics of such diamonds in all three modes. 24 refs., 14 figs

  6. Positron states and nanoobjects in proton-irradiated quartz single crystals: Positronium atom in quartz

    Grafutin, V. I.; Zaluzhnyi, A. G.; Timoshenkov, S. P.; Britkov, O. M.; Ilyukhina, O. V.; Myasishcheva, G. G.; Prokop'ev, E. P.; Funtikov, Yu. V.

    2008-01-01

    The influence of proton bombardment and metal atom impurities on the structure of quartz single crystals has been studied. The related defects have been studied using positron annihilation spectroscopy (angular correlation of positron-annihilation photons), acoustic absorption, and optical absorption measurements. It is shown that the presence of a narrow component f in the angular distribution of annihilation photons (ADAP), which is related to the formation of parapositronium, determines a high sensitivity of this method with respect to features of the crystal structure of quartz. It is established that the defectness of the structure of irradiated quartz crystals can be characterized by the ratio f/f 0 of the relative intensities of narrow components in the ADAP curves measured before (f 0 ) and after (f) irradiation. Any process leading to a decrease in the probability of positronium formation (e.g., positron loss as a result of the trapping on defects and the interaction with impurity atoms and lattice distortions) decreases the intensity of the narrow component. Based on the ADAP data, estimates of the radii and concentrations of nanodefects in quartz have been obtained and their variation upon annealing at temperatures up to T = 873 K has been studied

  7. Single-Photon Source for Quantum Information Based on Single Dye Molecule Fluorescence in Liquid Crystal Host

    Lukishova, S.G.; Knox, R.P.; Freivald, P.; McNamara, A.; Boyd, R.W.; Stroud, Jr. C.R.; Schmid, A.W.; Marshall, K.L.

    2006-01-01

    This paper describes a new application for liquid crystals: quantum information technology. A deterministically polarized single-photon source that efficiently produces photons exhibiting antibunching is a pivotal hardware element in absolutely secure quantum communication. Planar-aligned nematic liquid crystal hosts deterministically align the single dye molecules which produce deterministically polarized single (antibunched) photons. In addition, 1-D photonic bandgap cholesteric liquid crystals will increase single-photon source efficiency. The experiments and challenges in the observation of deterministically polarized fluorescence from single dye molecules in planar-aligned glassy nematic-liquid-crystal oligomer as well as photon antibunching in glassy cholesteric oligomer are described for the first time

  8. Nonresonant Faraday rotation in glassy semiconductors

    van den Keybus, P.; Grevendonk, W.

    1986-06-01

    Nonresonant interband Faraday rotation in amorphous semiconductors, as a function of photon energy, may be described by an equation derived for direct transitions in crystalline semiconductors. In this paper it is shown how this equation may be obtained for the former case also, assuming a parabolic density of states function N(E) and a correlation between valence- and conduction-band states. The analysis of experiments on chalcogenide glasses reveals a Faraday-rotation energy gap EFRg that is significantly larger than the optical gap Eoptg. The effect is attributed to transitions between extended states, so that it is meaningful to compare EFRg with the mobility gap Eμg. For oxide glasses both gaps are comparable but for chalcogenide glasses EFRg is too large by a few tenths of 1 eV.

  9. Voltammetric quantitation of nitazoxanide by glassy carbon electrode

    Rajeev Jain

    2013-12-01

    Full Text Available The present study reports voltammetric reduction of nitazoxanide in Britton–Robinson (B–R buffer by cyclic and square-wave voltammetry at glassy carbon electrode. A versatile fully validated voltammetric method for quantitative determination of nitazoxanide in pharmaceutical formulation has been proposed. A squrewave peak current was linear over the nitazoxanide concentration in the range of 20–140 µg/mL. The limit of detection (LOD and limit of quantification (LOQ was calculated to be 5.23 μg/mL and 17.45 μg/mL, respectively. Keywords: Nitazoxanide, Squarewave voltammetry, Glassy carbon electrode, Pharmaceutical formulation

  10. Impacts of Co-doping on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystal studied by the electrical transport.

    Urata, Takahiro; Tanabe, Yoichi; Heguri, Satoshi; Tanigaki, Katsumi

    2015-03-01

    In the FeSe with the simplest crystal structure in the Fe-based superconductor families, although both the superconductivity and the orbital ordering states are investigated, the relation between them is still unclear. Here, we report Co doping effects on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystals. The electrical transport measurements demonstrated that the superconductivity vanishes at 4 % Co doping while the orbital ordering state may be robust against Co doping. Present results suggest that the orbital ordering state is not related to the emergence of the superconductivity in FeSe.

  11. Comparing the mechanism of water condensation and evaporation in glassy aerosol.

    Bones, David L; Reid, Jonathan P; Lienhard, Daniel M; Krieger, Ulrich K

    2012-07-17

    Atmospheric models generally assume that aerosol particles are in equilibrium with the surrounding gas phase. However, recent observations that secondary organic aerosols can exist in a glassy state have highlighted the need to more fully understand the kinetic limitations that may control water partitioning in ambient particles. Here, we explore the influence of slow water diffusion in the condensed aerosol phase on the rates of both condensation and evaporation, demonstrating that significant inhibition in mass transfer occurs for ultraviscous aerosol, not just for glassy aerosol. Using coarse mode (3-4 um radius) ternary sucrose/sodium chloride/aqueous droplets as a proxy for multicomponent ambient aerosol, we demonstrate that the timescale for particle equilibration correlates with bulk viscosity and can be ≫10(3) s. Extrapolation of these timescales to particle sizes in the accumulation mode (e.g., approximately 100 nm) by applying the Stokes-Einstein equation suggests that the kinetic limitations imposed on mass transfer of water by slow bulk phase diffusion must be more fully investigated for atmospheric aerosol. Measurements have been made on particles covering a range in dynamic viscosity from  10(13) Pa s. We also retrieve the radial inhomogeneities apparent in particle composition during condensation and evaporation and contrast the dynamics of slow dissolution of a viscous core into a labile shell during condensation with the slow percolation of water during evaporation through a more homogeneous viscous particle bulk.

  12. On the spherical nanoindentation creep of metallic glassy thin films at room temperature

    Zhang, T.H.; Ye, J.H. [Institution of Micro/Nano-Mechanical Testing Technology & Application, College of Mechanical Engineering, Zhejiang University of Technology, Hangzhou 310014 (China); Feng, Y.H. [State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Ma, Y., E-mail: may@zjut.edu.cn [Institution of Micro/Nano-Mechanical Testing Technology & Application, College of Mechanical Engineering, Zhejiang University of Technology, Hangzhou 310014 (China)

    2017-02-08

    Metallic glassy thin films with eight kind of compositions were successfully prepared on Si substrate by magnetron sputtering. The room-temperature creep tests were performed at plastic regions for each sample relying on spherical nanoindetation. The creep deformations were studied by recording the total creep displacement and strain after 2000 s holding. More pronounced creep deformation was observed in the sample with lower glass transition temperature (T{sub g}). Strain rate sensitivity (SRS) was then calculated from the steady-state creep and exhibited a negative correlation with increasing T{sub g}. It is suggested that creep mechanism of the nano-sized metallic glass was T{sub g}-dependent, according to the demarcation of SRS values. Based on the obtained SRS, shear transformation zone (STZ) size in each sample could be estimated. The results indicated that an STZ involves about 25–60 atoms for the employed eight samples and is strongly tied to T{sub g}. The characteristic of STZ size in metallic glassy thin films was discussed in terms of applied method and deformation modes.

  13. Thermodynamic Modeling of Gas Transport in Glassy Polymeric Membranes.

    Minelli, Matteo; Sarti, Giulio Cesare

    2017-08-19

    Solubility and permeability of gases in glassy polymers have been considered with the aim of illustrating the applicability of thermodynamically-based models for their description and prediction. The solubility isotherms are described by using the nonequilibrium lattice fluid (NELF) (model, already known to be appropriate for nonequilibrium glassy polymers, while the permeability isotherms are described through a general transport model in which diffusivity is the product of a purely kinetic factor, the mobility coefficient, and a thermodynamic factor. The latter is calculated from the NELF model and mobility is considered concentration-dependent through an exponential relationship containing two parameters only. The models are tested explicitly considering solubility and permeability data of various penetrants in three glassy polymers, PSf, PPh and 6FDA-6FpDA, selected as the reference for different behaviors. It is shown that the models are able to calculate the different behaviors observed, and in particular the permeability dependence on upstream pressure, both when it is decreasing as well as when it is increasing, with no need to invoke the onset of additional plasticization phenomena. The correlations found between polymer and penetrant properties with the two parameters of the mobility coefficient also lead to the predictive ability of the transport model.

  14. Quasi-equilibrium in glassy dynamics: an algebraic view

    Franz, Silvio; Parisi, Giorgio

    2013-01-01

    We study a chain of identical glassy systems in a constrained equilibrium, where each bond of the chain is forced to remain at a preassigned distance to the previous one. We apply this description to mean-field glassy systems in the limit of a long chain where each bond is close to the previous one. We show that this construction defines a pseudo-dynamic process that in specific conditions can formally describe real relaxational dynamics for long times. In particular, in mean-field spin glass models we can recover in this way the equations of Langevin dynamics in the long time limit at the dynamical transition temperature and below. We interpret the formal identity as evidence that in these situations the configuration space is explored in a quasi-equilibrium fashion. Our general formalism, which relates dynamics to equilibrium, puts slow dynamics in a new perspective and opens the way to the computation of new dynamical quantities in glassy systems. (paper)

  15. Positron bound states on hydride ions in thermochemically reduced MgO single crystals

    Monge, M.A.; Pareja, R.; Gonzalez, R.; Chen, Y.

    1996-01-01

    Positron-lifetime and Doppler-broadening techniques were used to unambiguously identify positronium hydrides in thermochemically reduced MgO crystals at low temperatures. Positrons trapped at H - ions, forming PsH, yield a lifetime of (640±40) ps, independent of temperature. Complementary evidence for this identification was provided by Doppler-broadening experiments, in which positrons were trapped at H 2- sites at low temperatures. The H 2- ions were formed via H - +e - →H 2- by the capturing of an electron released from Fe + impurity under blue-light stimulation. copyright 1996 The American Physical Society

  16. Effect of annealing ambient on anisotropic retraction of film edges during solid-state dewetting of thin single crystal films

    Kim, Gye Hyun; Thompson, Carl V., E-mail: cthomp@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States); Ma, Wen [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States); Yildiz, Bilge [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States); Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States)

    2016-08-21

    During solid-state dewetting of thin single crystal films, film edges retract at a rate that is strongly dependent on their crystallographic orientations. Edges with kinetically stable in-plane orientations remain straight as they retract, while those with other in-plane orientations develop in-plane facets as they retract. Kinetically stable edges have retraction rates that are lower than edges with other orientations and thus determine the shape of the natural holes that form during solid-state dewetting. In this paper, measurements of the retraction rates of kinetically stable edges for single crystal (110) and (100) Ni films on MgO are presented. Relative retraction rates of kinetically stable edges with different crystallographic orientations are observed to change under different annealing conditions, and this accordingly changes the initial shapes of growing holes. The surfaces of (110) and (100) films were also characterized using low energy electron diffraction, and different surface reconstructions were observed under different ambient conditions. The observed surface structures were found to correlate with the observed changes in the relative retraction rates of the kinetically stable edges.

  17. FTIR and Mössbauer spectroscopic study of sodium–aluminum–iron phosphate glassy materials for high level waste immobilization

    Stefanovsky, S.V., E-mail: serge.stefanovsky@yandex.ru [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Stefanovsky, O.I. [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Remizov, M.B.; Belanova, E.A.; Kozlov, P.V. [FSUE PA Mayak, Central Plant Laboratory, Ozersk, Chelyabinsk Reg. (Russian Federation); Glazkova, Ya.S.; Sobolev, A.V.; Presniakov, I.A. [Lomonosov Moscow State University, Department of Radiochemistry (Russian Federation); Kalmykov, S.N. [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Lomonosov Moscow State University, Department of Radiochemistry (Russian Federation); Vernadsky Institute of Geochemistry and Analytical Chemistry of the Russian Academy of Sciences, Laboratory of Radiochemistry, Moscow (Russian Federation); Myasoedov, B.F. [Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Laboratory of Radioecology and Radiation Problems, Moscow (Russian Federation); Vernadsky Institute of Geochemistry and Analytical Chemistry of the Russian Academy of Sciences, Laboratory of Radiochemistry, Moscow (Russian Federation)

    2015-11-15

    Complex sodium-aluminum-iron phosphate glassy materials with various Al{sub 2}O{sub 3} to Fe{sub 2}O{sub 3} ratio containing high level waste (HLW) surrogate were characterized by X-ray diffraction and scanning electron microscopy and studied in details by Fourier transform infrared (FTIR) spectroscopy. The samples with high Al{sub 2}O{sub 3} content and not containing Fe{sub 2}O{sub 3} were predominantly amorphous but subjected to devitrification under annealing. Addition of B{sub 2}O{sub 3} and partial Fe{sub 2}O{sub 3} substitution for Al{sub 2}O{sub 3} in the materials increases their resistance to devitrification whereas further substitution and NiO incorporation significantly increase the tendency to devitrification. FTIR spectra demonstrate changes in the structure of glassy materials caused by both structural variations in the anionic motif and occurrence of crystalline phases in the materials. According to Mössbauer spectroscopy data, iron in the glassy samples is present as octahedrally coordinated Fe{sup 3+} ions while in the partly devitrified samples iron is partitioned among vitreous and crystalline phases entering the vitreous phase mainly as Fe{sup 3+}O{sub 6} units and crystalline phases as major Fe{sup 3+} and minor Fe{sup 2+} ions in a magnetically ordered state and participating in a “fast” electronic exchange.

  18. Instability of the critical state in NdBa2Cu3O7-δ single crystals

    Koblischka, M.R.; Murakami, M.; Koishikawa, S.

    1999-01-01

    Instabilities of the critical state are observed in various NdBa2Cu3O7-delta single crystals by means of direct magneto-optic (MO) imaging while warming up flux states containing vortices of opposite polarity. Using the same samples as in the MO investigations, we observe for the first time......, and also in the orientations H-a parallel to c and H-a perpendicular to c. As a result, we find turbulence not only in a narrow window of temperatures (65 less than or equal to T less than or equal to 80 K), but also in a window of applied negative fields ranging between 30 and 80 mT....

  19. Chemical state analysis of oxide thin films using a high resolution double crystal X-ray fluorescence spectrometer

    Masuda, Hirohisa; Morinaga, Kenji; Ohta, Yoshio.

    1995-01-01

    The chemical state analysis of r.f.-sputtered amorphous oxide thin films was determined by a high resolution X-ray fluorescence spectrometer with double crystals. The polymerization degree of silicate anions in the silicate film was as same as a target (α-Quartz). The oxygen coordination number of Al 3+ ions in the aluminate film was different from a target (α-Al 2 O 3 ), and it was a mixture of 4 and 6 in a spinel-like structure. In CaO-SiO 2 and CaO-Al 2 O 3 films, when the film thickness is thin at the beginning of sputtering, the composition of films are in the shortage of CaO. But when the film thickness become thicker, the composition of films become as same as the target. From the results above, the chemical state of films and their variations with film thickness can be clarified by using the apparatus. (author)

  20. Crystal structure and spin state of mixed-crystals of iron with NCS and NCBH3 for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

    Haruka Dote; Hiroki Yasuhara

    2015-01-01

    New mixed crystals, Fe(NCS) x (NCBH 3 )( 2-x )(bpp) 2 , (bpp = 1,3-bis(4-pyridyl)propane) were synthesized. The formation of mixed crystals was confirmed by powder X-ray diffraction patterns and single crystal X-ray structural analysis. Elemental analyses showed that all Fe(NCS) x (NCBH 3 )( 2-x )(bpp) 2 samples had more Fe(NCS) 2 unit than the preparation fraction. 57 Fe Moessbauer spectroscopy revealed that all the spectra consist of only Fe(NCS) 2 unit and Fe(NCBH 3 ) 2 unit. And the fraction of low-spin state in the Fe(NCBH 3 ) 2 unit changed with the change of x. The results suggested that the high spin site of Fe(NCS) 2 unit affects the spin state of Fe(NCBH 3 ) 2 unit. (author)

  1. Ab initio calculations of the electron spectrum and density of states of TlFeS{sub 2} and TlFeSe{sub 2} crystals

    Ismayilova, N. A., E-mail: ismayilova-narmin-84@mail.ru; Orudjev, H. S.; Jabarov, S. H. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)

    2017-04-15

    The results of ab initio calculations of the electron spectrum of TlFeS{sub 2} and TlFeSe{sub 2} crystals in the antiferromagnetic phase are reported. Calculations are carried out in the context of the density functional theory. The origin of the bands of s, p, and d electron states of Tl, Fe, S, and Se atoms is studied. It is established that, in the antiferromagnetic phase, the crystals possess semiconductor properties. The band gaps are found to be 0.05 and 0.34 eV for TlFeS{sub 2} and TlFeSe{sub 2} crystals, respectively.

  2. Hysteresis, reentrance, and glassy dynamics in systems of self-propelled rods.

    Kuan, Hui-Shun; Blackwell, Robert; Hough, Loren E; Glaser, Matthew A; Betterton, M D

    2015-01-01

    Nonequilibrium active matter made up of self-driven particles with short-range repulsive interactions is a useful minimal system to study active matter as the system exhibits collective motion and nonequilibrium order-disorder transitions. We studied high-aspect-ratio self-propelled rods over a wide range of packing fractions and driving to determine the nonequilibrium state diagram and dynamic properties. Flocking and nematic-laning states occupy much of the parameter space. In the flocking state, the average internal pressure is high and structural and mechanical relaxation times are long, suggesting that rods in flocks are in a translating glassy state despite overall flock motion. In contrast, the nematic-laning state shows fluidlike behavior. The flocking state occupies regions of the state diagram at both low and high packing fraction separated by nematic-laning at low driving and a history-dependent region at higher driving; the nematic-laning state transitions to the flocking state for both compression and expansion. We propose that the laning-flocking transitions are a type of glass transition that, in contrast to other glass-forming systems, can show fluidization as density increases. The fluid internal dynamics and ballistic transport of the nematic-laning state may promote collective dynamics of rod-shaped micro-organisms.

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

    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.

  4. Spin state of mixed crystals of iron with zinc or cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

    Nakashima, S; Dote, T; Atsuchi, M; Inoue, K

    2010-01-01

    Mixed crystals, [Fe 1-x M x (NCX) 2 (bpp) 2 ] (M=Zn, Co; X=S, Se; bpp1,3-bis(4-pyridyl)propane), had a similar structure with 2D interpenetrated structure of [Fe(NCX) 2 (bpp) 2 ]. The proportion of Fe II low-spin state in the mixed crystals of NCSe complex increased compared with that of the corresponding Fe complex, while such change in the Moessbauer spectra was not observed in the NCS complex.

  5. Solid-state {sup 2}H NMR investigations in guest-host systems and plastic crystals

    Garibay, J.A.V.

    2004-07-01

    Variable temperature {sup 2}H NMR investigations have been carried out to study the molecular behavior of perdeuterated benzene and pyridine in the inclusion compound with tris-(1,2-dioxyphenyl)-cyclotriphosphazene. Here, a comprehensive variable temperature {sup 2}H NMR study is presented comprising line shape studies and relaxation experiments. The experimental data clearly indicate the presence of highly mobile guest species. Sample cooling gives rise to characteristic line shape effects that can be attributed to a slow-down of the rotational motion. Additional {sup 2}H NMR measurements were performed on the plastic crystal 1,4-diazabicyclo[2,2,2]octane where highly mobile species were observed. A quantitative analysis of the experimental data is achieved by appropriate computer simulations taking into account various molecular motions for each studied system. The analysis of these theoretical data give rise to the kinetic parameters that are in the order of related systems. (orig.)

  6. Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state.

    Nyblom, Maria; Poulsen, Hanne; Gourdon, Pontus; Reinhard, Linda; Andersson, Magnus; Lindahl, Erik; Fedosova, Natalya; Nissen, Poul

    2013-10-04

    The Na(+), K(+)-adenosine triphosphatase (ATPase) maintains the electrochemical gradients of Na(+) and K(+) across the plasma membrane--a prerequisite for electrical excitability and secondary transport. Hitherto, structural information has been limited to K(+)-bound or ouabain-blocked forms. We present the crystal structure of a Na(+)-bound Na(+), K(+)-ATPase as determined at 4.3 Å resolution. Compared with the K(+)-bound form, large conformational changes are observed in the α subunit whereas the β and γ subunit structures are maintained. The locations of the three Na(+) sites are indicated with the unique site III at the recently suggested IIIb, as further supported by electrophysiological studies on leak currents. Extracellular release of the third Na(+) from IIIb through IIIa, followed by exchange of Na(+) for K(+) at sites I and II, is suggested.

  7. On the mobility of delocalized and self-trapped positronium states in ionic crystals

    Bondarev, I V

    2003-01-01

    The temperature dependence of the diffusivity is studied for delocalized and self-trapped positronium (Ps) atoms in ionic crystals. Detailed calculations taking into account low-temperature and inelastic scattering corrections and a Ps scattering form-factor have been performed for delocalized Ps. Low-temperature and inelastic corrections to the delocalized Ps diffusivity are shown to be essential below several tens of K, while the form-factor contribution is negligibly small up to thousand K. The mobility of self-trapped Ps is analyzed within the framework of a small polaron approach. The hopping contribution to the self-trapped Ps diffusivity is shown to be adiabatic in its physical nature. The tunnel contribution is in general not small and may turn out to be dominating even at very high temperatures. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  8. Glassy and Metastable Crystalline BaTi2O5 by Containerless Processing

    Yoda, Shinichi; Kentei Yu, Yu; Kumar, Vijaya; Kameko, Masashi

    Many efforts have been devoted to forming bulk glass from the melt of ferroelectric crystalline materials without adding any network-forming oxides such as SiO2 due to the potential for producing transparent glass ceramics with high dielectric constant and enhanced piezoelectric, pyroelectric and electro-optic use. The containerless processing is an attractive synthesis tech-nique as it can prevent melt contamination, minimize heterogeneous nucleation, and allow melt to achieve deep undercooling for forming metastable and glassy materials. We have fabricated a new ferroelectric materiel BaTi2 O5 [1] as bulk glass from melt by us-ing containerless processing and studied the phase relationship between microstructure and ferroelectric properties of BaTi2 O5 [2]. The structures of glassy and metastable crystalline BaTi2 O5 fabricated by the containerless pro-cessing were comprehensively investigated by combined X-ray and neutron diffractions, XANES analyses and computer simulations [3]. The 3-dimensional atomic structure of glassy BaTi2 O5 (g-BaTi2 O5 ), simulated by Reverse Monte Carlo (RMC) modelling on diffraction data, shows that extremely distorted TiO5 polyhedra interconnected with both corner-and edge-shared oxy-gen, formed a higher packing density structure than that of conventional silicate glass linked with only corner-sharing of SiO4 polyhedra. In addition, XANES measurement reveales that five-coordinated TiO5 polyhedra were formable in the crystallized metastable a-and b-BaTi2 O5 phases. The structure of metastable b-BaTi2 O5 was solved by ab initio calculation, and refined by Rietveld refinement as group Pnma with unit lattices a = 10.23784 ˚, b = 3.92715 ˚, c A A = 10.92757 A ˚. Our results show that the glass-forming ability enhanced by containerless pro-cessing, not by `strong glass former', fabricated new bulk oxide glasses with peculiar structures and properties. The intermediate-range structure of g-BaTi2 O5 and the crystalline structure of

  9. Crystal structure and spin state of mixed-crystals of Fe(NCS)x(NCBH3)2-x(bpp)2 (bpp = 1,3-BIS(4-pyridyl)propane)

    Dote, Haruka; Yasuhara, Hiroki; Nakashima, Satoru

    2013-01-01

    New mixed crystals, Fe(NCS) x (NCBH 3 ) (2-x) (bpp) 2 were synthesized. 57 Fe Mössbauer spectroscopy showed that the ratio of low-spin state in the Fe(NCBH 3 ) 2 unit changed with the change of x. The results revealed that the high spin site of Fe(NCS) 2 unit affects the spin state of Fe(NCBH 3 ) 2 unit. (author)

  10. Crystal Nucleation and Crystal Growth and Mass Transfer in Internally Mixed Sucrose/NaNO3 Particles.

    Ji, Zhi-Ru; Zhang, Yun; Pang, Shu-Feng; Zhang, Yun-Hong

    2017-10-19

    Secondary organic aerosols (SOA) can exist in a glassy or semisolid state under low relative humidity (RH) conditions, in which the particles show nonequilibrium kinetic characteristics with changing ambient RH. Here, we selected internally mixed sucrose/NaNO 3 droplets with organic to inorganic molar ratios (OIRs) of 1:8, 1:4, 1:2, and 1:1 as a proxy for multicomponent ambient aerosols to study crystal nucleation and growth processes and water transport under a highly viscous state with the combination of an RH-controlling system and a vacuum Fourier transform infrared (FTIR) spectrometer. The initial efflorescence RH (ERH) of NaNO 3 decreased from ∼45% for pure NaNO 3 droplets to ∼38.6 and ∼37.9% for the 1:8 and 1:4 sucrose/NaNO 3 droplets, respectively, while no crystallization of NaNO 3 occurred for the 1:2 and 1:1 droplets in the whole RH range. Thus, the addition of sucrose delayed the ERH and even completely inhibited nucleation of NaNO 3 in the mixed droplets. In addition, the crystal growth of NaNO 3 was suppressed in the 1:4 and 1:8 droplets most likely due to the slow diffusion of Na + and NO 3 - ions at low RH. Water uptake/release of sucrose/NaNO 3 particles quickly arrived at equilibrium at high RH, while the hygroscopic process was kinetically controlled under low RH. The half-time ratio between the liquid water content and the RH was used to describe the mass transfer behavior. For the 1:1 droplets, no mass limitation was observed with the ratio approaching to 1 when the RH was higher than 53%. The ratio increased 1 order of magnitude under an ultraviscous state with RH ranging from 53 to 15% and increased a further 1 order of magnitude at RH < 15% under a glassy state.

  11. Effect of surface states on the electrochemical behaviour of single crystal n-ZnSe photoelectrode

    El-Dessouki, M.S.

    1987-10-01

    Surface Photovoltage Spectroscopy (SPS) technique has been used to detect the surface states of ZnSe (110) surfaces. Aqueous electrolyte/ZnSe junction has been electrochemically investigated in dark and under illumination. The effect of surface states on the kinetics of charge transfer through the semiconductor-electrolyte (S/E) junction has been discussed. The low leakage and photocurrents measured by the application of DC bias were referred to the blocking nature of S/E interface, in which the localized and induced surface states play an important role. (author). 19 refs, 4 figs

  12. Molecular dynamics study of dynamic and structural properties of supercooled liquid and glassy iron in the rapid-cooling processes

    Cao, Qi-Long; Huang, Duo-Hui; Yang, Jun-Sheng; Wan, Min-Jie; Wang, Fan-Hou, E-mail: eatonch@gmail.com

    2014-10-01

    Molecular dynamics simulations were applied to study the dynamic and structural properties of supercooled liquid and glassy iron in the rapid-cooling processes. The mean-square displacement and the non-Gaussian parameter were used to describe the dynamic properties. The evolution of structural properties was investigated using the pair distribution functions and bond-angle distribution functions. Results for dynamic and structural relaxations indicate that the dynamic features are consistently correlated with the structure evolution, and there are three temperature regions as the temperature decreases: (1) at higher temperatures (1500 K, 1300 K, and 1100 K), the system remains in the liquid characteristics during the overall relaxation process. (2) At medial temperatures (1050 K, 900 K, and 700 K), a fast β-relaxation is followed by a much slower α-relaxation. There is a little change in the structural properties in the β-relaxation region, while major configuration rearrangements occurred in the α-relaxation range and the crystallization process was completed at the end of α-relaxation region. (3) At lower temperature (500 K), the system shows glassy characteristics during the overall relaxation process. In addition, the melting temperature, glass transition temperature and diffusion coefficients of supercooled liquid iron are also computed.

  13. Raman spectroscopy adds complementary detail to the high-resolution x-ray crystal structure of photosynthetic PsbP from Spinacia oleracea.

    Vladimir Kopecky

    Full Text Available Raman microscopy permits structural analysis of protein crystals in situ in hanging drops, allowing for comparison with Raman measurements in solution. Nevertheless, the two methods sometimes reveal subtle differences in structure that are often ascribed to the water layer surrounding the protein. The novel method of drop-coating deposition Raman spectropscopy (DCDR exploits an intermediate phase that, although nominally "dry," has been shown to preserve protein structural features present in solution. The potential of this new approach to bridge the structural gap between proteins in solution and in crystals is explored here with extrinsic protein PsbP of photosystem II from Spinacia oleracea. In the high-resolution (1.98 Å x-ray crystal structure of PsbP reported here, several segments of the protein chain are present but unresolved. Analysis of the three kinds of Raman spectra of PsbP suggests that most of the subtle differences can indeed be attributed to the water envelope, which is shown here to have a similar Raman intensity in glassy and crystal states. Using molecular dynamics simulations cross-validated by Raman solution data, two unresolved segments of the PsbP crystal structure were modeled as loops, and the amino terminus was inferred to contain an additional beta segment. The complete PsbP structure was compared with that of the PsbP-like protein CyanoP, which plays a more peripheral role in photosystem II function. The comparison suggests possible interaction surfaces of PsbP with higher-plant photosystem II. This work provides the first complete structural picture of this key protein, and it represents the first systematic comparison of Raman data from solution, glassy, and crystalline states of a protein.

  14. Emergence of quasiparticle Bloch states in artificial crystals crafted atom-by-atom

    Jan Girovsky, Jose L. Lado, Floris E. Kalff, Eleonora Fahrenfort, Lucas J. J. M. Peters, Joaquín Fernández-Rossier, Alexander F. Otte

    2017-06-01

    Full Text Available The interaction of electrons with a periodic potential of atoms in crystalline solids gives rise to band structure. The band structure of existing materials can be measured by photoemission spectroscopy and accurately understood in terms of the tight-binding model, however not many experimental approaches exist that allow to tailor artificial crystal lattices using a bottom-up approach. The ability to engineer and study atomically crafted designer materials by scanning tunnelling microscopy and spectroscopy (STM/STS helps to understand the emergence of material properties. Here, we use atom manipulation of individual vacancies in a chlorine monolayer on Cu(100 to construct one- and two-dimensional structures of various densities and sizes. Local STS measurements reveal the emergence of quasiparticle bands, evidenced by standing Bloch waves, with tuneable dispersion. The experimental data are understood in terms of a tight-binding model combined with an additional broadening term that allows an estimation of the coupling to the underlying substrate.

  15. Ultralong Radiative States in Hybrid Perovskite Crystals: Compositions for Submillimeter Diffusion Lengths

    Alarousu, Erkki

    2017-08-29

    Organic-inorganic hybrid perovskite materials have recently evolved into the leading candidate solution-processed semiconductor for solar cells due to their combination of desirable optical and charge transport properties. Chief among these properties is the long carrier diffusion length, which is essential to optimizing the device architecture and performance. Herein, we used time-resolved photoluminescence (at low excitation fluence, 10.59 μJ·cm upon two-photon excitation), which is the most accurate and direct approach to measure the radiative charge carrier lifetime and diffusion lengths. Lifetimes of about 72 and 4.3 μs for FAPbBr and FAPbI perovskite single crystals have been recorded, presenting the longest radiative carrier lifetimes reported to date for perovskite materials. Subsequently, carrier diffusion lengths of 107.2 and 19.7 μm are obtained. In addition, we demonstrate the key role of the organic cation units in modulating the carrier lifetime and its diffusion lengths, in which the defect formation energies for FA cations are much higher than those with the MA ones.

  16. Photoswitchable molecular dipole antennas with tailored coherent coupling in glassy composite

    Elbahri, Mady; Zillohu, Ahnaf Usman; Gothe, Bastian

    2015-01-01

    . We also introduce the concept of 'tailored molecular photonic coupling' while highlighting the role of interferences for the design of optically active media by adjusting the photonic response of the medium with the real and imaginary refractive index of photoswitchable molecules in the 'ON' state...... alteration of photochromic molecular dipole antennas. We successfully demonstrate the concept of Brewster wavelength, which is based on the dipolar interaction between radiating dipoles and the surrounding matrix possessing a net dipole moment, as a key tool for highly localized sensing of matrix polarity....... Our results enhance our fundamental understanding of coherent dipole radiation and open a new vein of research based on glassy disordered dipolar composites that act as macroscopic antenna with cooperative action; furthermore, these results have important implications for new design rules of tailored...

  17. Positronics of radiation-induced effects in chalcogenide glassy semiconductors

    Shpotyuk, O.; Kozyukhin, S. A.; Shpotyuk, M.; Ingram, A.; Szatanik, R.

    2015-01-01

    Using As 2 S 3 and AsS 2 glasses as an example, the principal possibility of using positron annihilation spectroscopy methods for studying the evolution of the free volume of hollow nanoobjects in chalcogenide glassy semiconductors exposed to radiation is shown. The results obtained by measurements of the positron annihilation lifetime and Doppler broadening of the annihilation line in reverse chronological order are in full agreement with the optical spectroscopy data in the region of the fundamental absorption edge, being adequately described within coordination defect-formation and physical-aging models

  18. Positronics of radiation-induced effects in chalcogenide glassy semiconductors

    Shpotyuk, O. [Scientific Research Company “Carat” (Ukraine); Kozyukhin, S. A., E-mail: sergkoz@igic.ras.ru [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Shpotyuk, M. [Scientific Research Company “Carat” (Ukraine); Ingram, A. [Opole Technical University (Poland); Szatanik, R. [Opole University (Poland)

    2015-03-15

    Using As{sub 2}S{sub 3} and AsS{sub 2} glasses as an example, the principal possibility of using positron annihilation spectroscopy methods for studying the evolution of the free volume of hollow nanoobjects in chalcogenide glassy semiconductors exposed to radiation is shown. The results obtained by measurements of the positron annihilation lifetime and Doppler broadening of the annihilation line in reverse chronological order are in full agreement with the optical spectroscopy data in the region of the fundamental absorption edge, being adequately described within coordination defect-formation and physical-aging models.

  19. Dynamical singularities of glassy systems in a quantum quench.

    Obuchi, Tomoyuki; Takahashi, Kazutaka

    2012-11-01

    We present a prototype of behavior of glassy systems driven by quantum dynamics in a quenching protocol by analyzing the random energy model in a transverse field. We calculate several types of dynamical quantum amplitude and find a freezing transition at some critical time. The behavior is understood by the partition-function zeros in the complex temperature plane. We discuss the properties of the freezing phase as a dynamical chaotic phase, which are contrasted to those of the spin-glass phase in the static system.

  20. Asphaltene-laden interfaces form soft glassy layers in contraction experiments: a mechanism for coalescence blocking.

    Pauchard, Vincent; Rane, Jayant P; Banerjee, Sanjoy

    2014-11-04

    In previous studies, the adsorption kinetics of asphaltenes at the water-oil interface were interpreted utilizing a Langmuir equation of state (EOS) based on droplet expansion experiments.1-3 Long-term adsorption kinetics followed random sequential adsorption (RSA) theory predictions, asymptotically reaching ∼85% limiting surface coverage, which is similar to limiting random 2D close packing of disks. To extend this work beyond this slow adsorption process, we performed rapid contractions and contraction-expansions of asphaltene-laden interfaces using the pendant drop experiment to emulate a Langmuir trough. This simulates the rapid increase in interfacial asphaltene concentration that occurs during coalescence events. For the contraction of droplets aged in asphaltene solutions, deviation from the EOS consistently occurs at a surface pressure value ∼21 mN/m corresponding to a surface coverage ∼80%. At this point droplets lose the shape required for validity of the Laplace-Young equation, indicating solidlike surface behavior. On further contraction wrinkles appear, which disappear when the droplet is held at constant volume. Surface pressure also decreases down to an equilibrium value near that measured for slow adsorption experiments. This behavior appears to be due to a transition to a glassy interface on contraction past the packing limit, followed by relaxation toward equilibrium by desorption at constant volume. This hypothesis is supported by cycling experiments around the close-packed limit where the transition to and from a solidlike state appears to be both fast and reversible, with little hysteresis. Also, the soft glass rheology model of Sollich is shown to capture previously reported shear behavior during adsorption. The results suggest that the mechanism by which asphaltenes stabilize water-in-oil emulsions is by blocking coalescence due to rapid formation of a glassy interface, in turn caused by interfacial asphaltenes rapidly increasing in

  1. Studies of the fluorescent excited state of impurities in ionic crystals

    Romestain, Robert

    1972-01-01

    The author of this research thesis first presents experimental methods used in this research: principles (recall on the optical spectrum of an impurity in a solid, use of fluorescence polarization) and techniques (sample preparation, liquid helium cryostat, application of a disturbance, optical detection). Then, he reports the study of the Mn ++ ion in a tetrahedron crystalline field, the study of the Jahn Teller effect on the excited state of the F + centre in CaO, and the study by double resonance of a specific excited state of this same centre in CaO

  2. Dynamic states of swimming bacteria in a nematic liquid crystal cell with homeotropic alignment

    Zhou, Shuang; Harvard University, Cambridge, MA; Tovkach, Oleh; University of Massachusetts, Amherst, MA; Golovaty, Dmitry

    2017-01-01

    Flagellated bacteria such as Escherichia coli and Bacillus subtilis exhibit effective mechanisms for swimming in fluids and exploring the surrounding environment. In isotropic fluids such as water, the bacteria change swimming direction through the run-and-tumble process. Lyotropic chromonic liquid crystals (LCLCs) have been introduced recently as an anisotropic environment in which the direction of preferred orientation, the director, guides the bacterial trajectories. In this work, we describe the behavior of bacteria B. subtilis in a homeotropic LCLC geometry, in which the director is perpendicular to the bounding plates of a shallow cell. We demonstrate that the bacteria are capable of overcoming the stabilizing elastic forces of the LCLC and swim perpendicularly to the imposed director (and parallel to the bounding plates). The effect is explained by a finite surface anchoring of the director at the bacterial body; the role of surface anchoring is analyzed by numerical simulations of a rod realigning in an otherwise uniform director field. Shear flows produced by a swimming bacterium cause director distortions around its body, as evidenced both by experiments and numerical simulations. These distortions contribute to a repulsive force that keeps the swimming bacterium at a distance of a few micrometers away from the bounding plates. The homeotropic alignment of the director imposes two different scenarios of bacterial tumbling: one with an 180° reversal of the horizontal velocity and the other with the realignment of the bacterium by two consecutive 90° turns. Finally, in the second case, the angle between the bacterial body and the imposed director changes from 90° to 0° and then back to 90°; the new direction of swimming does not correlate with the previous swimming direction.

  3. Impact of crystallization on the structure and chemical durability of borosilicate glass

    Nicoleau, Elodie

    2016-01-01

    This work describes a new approach to help understand the chemical durability of partially crystallized nuclear waste conditioning matrices. Among the studies carried out on nuclear waste deep geological disposal, long term behavior studies have so far been conducted on homogeneous glassy matrices. However, as the crystalline phases may generate modifications in the chemical composition and properties of such matrices, the description and a better understanding of their effects on the chemical durability of waste packages are of primary importance. A protocol to study the durability of heterogeneous model matrices of nuclear interest containing different types of crystalline phases was developed. It is based on a detailed description of the morphology, microstructure and structure of the glassy matrix and crystalline phases, and on the study of various alteration regimes. Three crystal phases that may form when higher concentrations of waste are immobilized in Uranium Oxide type conditioning glasses were studied: alkali and alkaline earth molybdates, rare earth silicates and ruthenium oxide. The results highlight the roles of the composition and the structure of the surrounding glassy matrix as the parameters piloting the alteration kinetics of the partially crystallized glassy matrices. This behavior is identical whatever the nature of the crystalline phases, as long as these phases do not lead to a composition gradient and do not percolate within the glassy matrix. Given these results, a methodology to study partially crystallized matrices with no composition gradient is then suggested. Its key development lies firstly in the evaluation of the behavior of partially crystallized matrices through the experimental study of the residual glassy matrix in various alteration regimes. This methodology may be adapted to the case of new glass formulations with more complex compositions (e.g. highly waste-loaded glass), which may contain crystals formed during cooling

  4. Frenkel-Charge-Transfer exciton intermixing theory for molecular crystals with two isolated Frenkel exciton states.

    Bondarev, Igor; Popescu, Adrian

    We develop an analytical theory for the intra-intermolecular exciton intermixing in periodic 1D chains of planar organic molecules with two isolated low-lying Frenkel exciton states, typical of copper phthalocyanine (CuPc) and other transition metal phthalocyanine molecules. We formulate the Hamiltonian and use the exact Bogoliubov diagonalization procedure to derive the eigen energy spectrum for the two lowest intramolecular Frenkel excitons coupled to the intermolecular charge transfer (CT) exciton state. By comparing our theoretical spectrum with available experimental CuPc absorption data, we obtain the parameters of the Frenkel-CT exciton intermixing in CuPc thin films. The two Frenkel exciton states here are spaced apart by 0.26 eV, and the charge transfer exciton state is 50 meV above the lowest Frenkel exciton. Both Frenkel excitons are strongly mixed with the CT exciton, showing the coupling constant 0.17 eV in agreement with earlier electron transport experiments. Our results can be used for the proper interpretation of the physical properties of crystalline phthalocyanines. DOE-DE-SC0007117 (I.B.), UNC-GA ROI Grant (A.P.).

  5. Solid-State Laser Research Report: Energy Transfer in Non-Uniform Codoped Crystals.

    1988-03-01

    mathematical steps reported in this document are contained in the reviewed classified mid-task report P-1970 which is not available to the open...splits the d lvels of the chromium ion such that the "T2 level is considerably higher in energy than the E level. Since the ground-state is A 2 , the E A 2

  6. Electrical studies on silver based fast ion conducting glassy materials

    Rao, B. Appa; Kumar, E. Ramesh; Kumari, K. Rajani; Bhikshamaiah, G.

    2014-01-01

    Among all the available fast ion conductors, silver based glasses exhibit high conductivity. Further, glasses containing silver iodide enhances fast ion conducting behavior at room temperature. Glasses of various compositions of silver based fast ion conductors in the AgI−Ag 2 O−[(1−x)B 2 O 3 −xTeO 2 ] (x=0 to1 mol% in steps of 0.2) glassy system have been prepared by melt quenching method. The glassy nature of the compounds has been confirmed by X-ray diffraction. The electrical conductivity (AC) measurements have been carried out in the frequency range of 1 KHz–3MHz by Impedance Analyzer in the temperature range 303–423K. The DC conductivity measurements were also carried out in the temperature range 300–523K. From both AC and DC conductivity studies, it is found that the conductivity increases and activation energy decreases with increasing the concentration of TeO 2 as well as with temperature. The conductivity of the present glass system is found to be of the order of 10 −2 S/cm at room temperature. The ionic transport number of these glasses is found to be 0.999 indicating that these glasses can be used as electrolyte in batteries

  7. Dislocations and vacancies in two-dimensional mixed crystals of spheres and dimers

    Gerbode, Sharon J.; Ong, Desmond C.; Liddell, Chekesha M.; Cohen, Itai

    2010-01-01

    In colloidal crystals of spheres, dislocation motion is unrestricted. On the other hand, recent studies of relaxation in crystals of colloidal dimer particles have demonstrated that the dislocation dynamics in such crystals are reminiscent of glassy systems. The observed glassy dynamics arise as a result of dislocation cages formed by certain dimer orientations. In the current study, we use experiments and simulations to investigate the transition that arises when a pure sphere crystal is doped with an increasing concentration of dimers. Specifically, we focus on both dislocation caging and vacancy motion. Interestingly, we find that any nonzero fraction of dimers introduces finite dislocation cages, suggesting that glassy dynamics are present for any mixed crystal. However, we have also identified a vacancy-mediated uncaging mechanism for releasing dislocations from their cages. This mechanism is dependent on vacancy diffusion, which slows by orders of magnitude as the dimer concentration is increased. We propose that in mixed crystals with low dimer concentrations vacancy diffusion is fast enough to uncage dislocations and delay the onset of glassy dislocation dynamics. © 2010 The American Physical Society.

  8. Dislocations and vacancies in two-dimensional mixed crystals of spheres and dimers

    Gerbode, Sharon J.

    2010-10-15

    In colloidal crystals of spheres, dislocation motion is unrestricted. On the other hand, recent studies of relaxation in crystals of colloidal dimer particles have demonstrated that the dislocation dynamics in such crystals are reminiscent of glassy systems. The observed glassy dynamics arise as a result of dislocation cages formed by certain dimer orientations. In the current study, we use experiments and simulations to investigate the transition that arises when a pure sphere crystal is doped with an increasing concentration of dimers. Specifically, we focus on both dislocation caging and vacancy motion. Interestingly, we find that any nonzero fraction of dimers introduces finite dislocation cages, suggesting that glassy dynamics are present for any mixed crystal. However, we have also identified a vacancy-mediated uncaging mechanism for releasing dislocations from their cages. This mechanism is dependent on vacancy diffusion, which slows by orders of magnitude as the dimer concentration is increased. We propose that in mixed crystals with low dimer concentrations vacancy diffusion is fast enough to uncage dislocations and delay the onset of glassy dislocation dynamics. © 2010 The American Physical Society.

  9. Setting Boundaries with Memory: Generation of Topological Boundary States in Floquet-Induced Synthetic Crystals

    Baum, Yuval; Refael, Gil

    2018-03-01

    When a d -dimensional quantum system is subjected to a periodic drive, it may be treated as a (d +1 )-dimensional system, where the extra dimension is a synthetic one. This approach, however, affords only a limited level of control of the effective potential along the synthetic direction. In this work, we introduce a new mean for controlling the Floquet synthetic dimension. We show that arbitrary potentials, as well as edges in the synthetic dimension, could be introduced using a memory component in the system's dynamics. We demonstrate this principle by exploring topological edge states propagating normal to synthetic dimensions. Such systems may act as an optical isolator which allows the transmission of light in a directional way. Also, we suggest an experimental realization of the memory effect in spins coupled to nanofabricated Weyl semimetal surface states.

  10. Protic Organic Ionic Plastic Crystals: Fast Solid-State Proton Conductors

    Luo, Jiangshui; Aili, David; Pan, Chao

    2016-01-01

    High temperature polymer electrolyte membrane fuel cells (PEMFCs) operating between 100 °C and 200 °C are desirable because they offer significant benefits, such as improved electrode kinetics, simpler water and heat management, and better tolerance to fuel impurities, leading to higher overall...... system efficiencies [1]. However, state-of-the-art high temperature PEMFCs suffer from leakage problems associated with liquid electrolytes, such as H3PO4 and protic ionic liquids....

  11. Analysis of diffuse scattering in neutron powder diagrams. Application to glassy carbon

    Boysen, H.

    1985-01-01

    From the quantitative analysis of the diffuse scattered intensity in powder diagrams valuable information about the disorder in crystals may be obtained. According to the dimensionality of this disorder (0D, 1D, 2D or 3D corresponding to diffuse peaks, streaks, planes or volume in reciprocal space) a characteristic modulation of the background is observed, which is described by specific functions. These are derived by averaging the appropriate cross sections over all crystallite orientations in the powder and folding with the resolution function of the instrument. If proper account is taken of all proportionality factors different components of the background can be put on one relative scale. The results are applied to two samples of glassy carbon differing in their degree of disorder. The neutron powder patterns contain contributions from 0D (00l peaks due to the stacking of graphitic layers), 1D (hkzeta streaks caused by the random orientation of these layers) and 3D (incoherent scattering, averaged thermal diffuse scattering, multiple scattering). From the fit to the observed data various parameters of the disorder like domain sizes, strains, interlayer distances, amount of incorporated hydrogen, pore sizes etc. are determined. It is shown that the omission of resolution corrections leads to false parameters. (orig.)

  12. Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

    Lee, Kee Ahn; Kim, Yong Chan; Kim, Jung Han; Lee, Chong Soo; Namkung, Jung; Kim, Moon Chul

    2007-01-01

    The mechanical properties and crystallization behavior of new Fe-Ni-Cr-Si-B-based bulk glassy alloys were investigated. The suitability of the continuous roll casting method for the production of bulk metallic glass (BMG) sheets in such alloy systems was also examined. BMG samples (Fe-Ni-Cr-Si-B, Fe-Ni-Zr-Cr-Si-B, Fe-Ni-Zr-Cr-W-Si-B) in amorphous strip, cylindrical, and sheet forms were prepared through melt spinning, copper mold casting, and twin roll strip casting, respectively. Fe-Ni-Cr-Si-B alloy exhibited compressive strength of up to 2.93 GPa and plastic strain of about 1.51%. On the other hand, the Fe-Ni-Zr-Cr-Si-B, composite-type bulk sample with diameter of 2.0 mm showed remarkable compressive plastic strain of about 4.03%. The addition of zirconium was found to enhance the homogeneous precipitation of nanocrystalline less than 7 nm and to develop a hybrid-composite microstructure with increasing sample thickness. Twin roll strip casting was successfully applied to the fabrication of sheets in Fe-Ni-Cr-Si-B-based BMGs. The combined characteristics of high mechanical properties and ease of microstructure control proved to be promising in terms of the future progress of structural bulk amorphous alloys

  13. Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

    Lee, Kee Ahn [School of Advanced Materials Engineering, Andong National University, Andong 760-749 (Korea, Republic of)]. E-mail: keeahn@andong.ac.kr; Kim, Yong Chan [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Jung Han [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Lee, Chong Soo [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Namkung, Jung [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Moon Chul [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of)

    2007-03-25

    The mechanical properties and crystallization behavior of new Fe-Ni-Cr-Si-B-based bulk glassy alloys were investigated. The suitability of the continuous roll casting method for the production of bulk metallic glass (BMG) sheets in such alloy systems was also examined. BMG samples (Fe-Ni-Cr-Si-B, Fe-Ni-Zr-Cr-Si-B, Fe-Ni-Zr-Cr-W-Si-B) in amorphous strip, cylindrical, and sheet forms were prepared through melt spinning, copper mold casting, and twin roll strip casting, respectively. Fe-Ni-Cr-Si-B alloy exhibited compressive strength of up to 2.93 GPa and plastic strain of about 1.51%. On the other hand, the Fe-Ni-Zr-Cr-Si-B, composite-type bulk sample with diameter of 2.0 mm showed remarkable compressive plastic strain of about 4.03%. The addition of zirconium was found to enhance the homogeneous precipitation of nanocrystalline less than 7 nm and to develop a hybrid-composite microstructure with increasing sample thickness. Twin roll strip casting was successfully applied to the fabrication of sheets in Fe-Ni-Cr-Si-B-based BMGs. The combined characteristics of high mechanical properties and ease of microstructure control proved to be promising in terms of the future progress of structural bulk amorphous alloys.

  14. Formation, thermal stability and mechanical properties of bulk glassy alloys with a diameter of 20 mm in Zr-(Ti,Nb)-Al-Ni-Cu system

    Inoue, A.; Zhang, Q.S.; Zhang, W.; Yubuta, K.; Son, K.S.; Wang, X.M.

    2009-01-01

    Bulk glassy alloy rods with a diameter of 20 mm were produced for Zr 61 Ti 2 Nb 2 Al 7.5 Ni 10 Cu 17.5 and Zr 60 Ti 2 Nb 2 Al 7.5 Ni 10 Cu 18.5 by a tilt casting method. The replacement of Zr by a small amount of Ti and Nb caused a distinct increase in the maximum diameter from 16 mm for Zr 65 Al 7.5 Ni 10 Cu 17.5 to 20 mm, accompanying the decrease in liquidus temperature and the increase in reduced glass transition temperature. The primary precipitation phase from supercooled liquid also shows a distinct change, i.e., from coexistent Zr 2 Cu, Zr 2 Ni and Zr 6 NiAl 2 phases for the 65%Zr alloy to an icosahedral phase for the 61%Zr and 60%Zr alloys. These results allow us to presume that the enhancement of the glass-forming ability is due to an increase in the stability of supercooled liquid against crystallization caused by the development of icosahedral short-range ordered atomic configurations. The 60%Zr specimens taken from the central and near-surface regions in the transverse cross section at the site which is 15 mm away from the bottom surface of the cast glassy rod with a diameter of 20 mm exhibit good mechanical properties under a compressive deformation mode, i.e., Young's modulus of 81 GPa, large elastic strain of 0.02, high yield strength of 1610 MPa and distinct plastic strain of 0.012. Besides, a number of shear bands are observed along the maximum shear stress plane on the peripheral surface near the final fracture site. The finding of producing the large scale Zr-based bulk glassy alloys exhibiting reliable mechanical properties is encouraging for future advancement of bulk glassy alloys as a new type of functional material. (author)

  15. Solid state characterization and crystal structure from X-ray powder diffraction of two polymorphic forms of ranitidine base.

    de Armas, Héctor Novoa; Peeters, Oswald M; Blaton, Norbert; Van Gyseghem, Elke; Martens, Johan; Van Haele, Gerrit; Van Den Mooter, Guy

    2009-01-01

    Ranitidine hydrochloride (RAN-HCl), a known anti-ulcer drug, is the product of reaction between HCl and ranitidine base (RAN-B). RAN-HCl has been extensively studied; however this is not the case of the RAN-B. The solid state characterization of RAN-B polymorphs has been carried out using different analytical techniques (microscopy, thermal analysis, Fourier transform infrared spectrometry in the attenuated total reflection mode, (13)C-CPMAS-NMR spectroscopy and X-ray powder diffraction). The crystal structures of RAN-B form I and form II have been determined using conventional X-ray powder diffraction in combination with simulated annealing and whole profile pattern matching, and refined using rigid-body Rietveld refinement. RAN-B form I is a monoclinic polymorph with cell parameters: a = 7.317(2), b = 9.021(2), c = 25.098(6) A, beta = 95.690(1) degrees and space group P2(1)/c. The form II is orthorhombic: a = 31.252(4), b = 13.052(2), c = 8.0892(11) A with space group Pbca. In RAN-B polymorphs, the nitro group is involved in a strong intramolecular hydrogen bond responsible for the existence of a Z configuration in the enamine portion of the molecules. A tail to tail packing motif can be denoted via intermolecular hydrogen bonds. The crystal structures of RAN-B forms are compared to those of RAN-HCl polymorphs. RAN-B polymorphs are monotropic polymorphic pairs. (c) 2008 Wiley-Liss, Inc. and the American Pharmacists Association

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

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

    2013-01-01

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

  17. Probing Properties of Glassy Water and Other Liquids with Site Selective Spectroscopies

    Dang, Nhan Chuong [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    The standard non-photochemical hole burning (NPHB) mechanism, which involves phonon-assisted tunneling in the electronically excited state, was originally proposed to explain the light-induced frequency change of chemically stable molecules in glassy solids at liquid helium temperatures by this research group more than two decades ago. The NPHB mechanism was then further elucidated and the concept of intrinsic to glass configurational relaxation processes as pre-mediating step to the hole burning process was introduced. The latter provided the theoretical basis for NPHB to evolve into a powerful tool probing the dynamics and nature of amorphous media, which aside from ''simple'' inorganic glasses may include also ''complex'' biological systems such as living cells and cancerous/normal tissues. Presented in this dissertation are the experimental and theoretical results of hole burning properties of aluminum phthalocyanine tetrasulphonate (APT) in several different matrices: (1) hyperquenched glassy water (HGW); (2) cubic ice (Ic); and (3) water confined into poly(2-hydroxyethylmethacrylate) (poly-HEMA). In addition, results of photochemical hole burning (PHB) studies obtained for phthalocyanine tetrasulphonate (PcT) in HGW and free base phthalocyanine (Pc) in ortho-dichlorobenzene (DCB) glass are reported. The goal of this dissertation was to provide further evidence supporting the NPHB mechanism and to provide more insight that leads to a better understanding of the kinetic events (dynamics) in glasses, and various dynamical processes of different fluorescent chromorphores in various amorphous solids and the liquid that exist above the glass transition temperature (Tg). The following issues are addressed in detail: (1) time evolution of hole being burned under different conditions and in different hole burning systems; (2) temperature dependent hole profile; and (3) the structure

  18. Strong and anisotropic magnetoelectricity in composites of magnetostrictive Ni and solid-state grown lead-free piezoelectric BZT–BCT single crystals

    Haribabu Palneedi

    2017-03-01

    Full Text Available Aimed at developing lead-free magnetoelectric (ME composites with performances as good as lead (Pb-based ones, this study employed (001 and (011 oriented 82BaTiO3-10BaZrO3-8CaTiO3 (BZT–BCT piezoelectric single crystals, fabricated by the cost-effective solid-state single crystal growth (SSCG method, in combination with inexpensive, magnetostrictive base metal Nickel (Ni. The off-resonance, direct ME coupling in the prepared Ni/BZT–BCT/Ni laminate composites was found to be strongly dependent on the crystallographic orientation of the BZT–BCT single crystals, as well as the applied magnetic field direction. Larger and anisotropic ME voltage coefficients were observed for the composite made using the (011 oriented BZT–BCT single crystal. The optimized ME coupling of 1 V/cm Oe was obtained from the Ni/(011 BZT–BCT single crystal/Ni composite, in the d32 mode of the single crystal, when a magnetic field was applied along its [100] direction. This performance is similar to that reported for the Ni/Pb(Mg1/3Nb2/3O3-Pb(Zr,TiO3 (PMN–PZT single crystal/Ni, but larger than that obtained from the Ni/Pb(Zr,TiO3 ceramic/Ni composites. The results of this work demonstrate that the use of lead-free piezoelectric single crystals with special orientations permits the selection of desired anisotropic properties, enabling the realization of customized ME effects in composites.

  19. Self-Assembly and Crystallization of Conjugated Block Copolymers

    Davidson, Emily Catherine

    This dissertation demonstrates the utility of molecular design in conjugated polymers to create diblock copolymers that robustly self-assemble in the melt and confine crystallization upon cooling. This work leverages the model conjugated polymer poly(3-(2'-ethyl)hexylthiophene) (P3EHT), which features a branched side chain, resulting in a dramatically reduced melting temperature (Tm 80°C) relative to the widely-studied poly(3-hexylthiophene) (P3HT) (Tm 200°C). This reduced melting temperature permits an accessible melt phase, without requiring that the segregation strength (chiN) be dramatically increased. Thus, diblock copolymers containing P3EHT demonstrate robust diblock copolymer self-assembly in the melt over a range of compositions and morphologies. Furthermore, confined crystallization in the case of both glassy (polystyrene (PS) matrix block) and soft (polymethylacrylate (PMA) matrix block) confinement is studied, with the finding that even in soft confinement, crystallization is constrained within the diblock microdomains. This success demonstrates the strategy of leveraging molecular design to decrease the driving force for crystallization as a means to achieving robust self-assembly and confined crystallization in conjugated block copolymers. Importantly, despite the relatively flexible nature of P3EHT in the melt, the diblock copolymer phase behavior appears to be significantly impacted by the stiffness (persistence length of 3 nm) of the P3EHT chain compared to the coupled amorphous blocks (persistence length 0.7 nm). In particular, it is shown that the synthesized morphologies are dominated by a very large composition window for lamellar geometries (favored at high P3EHT volume fractions); cylindrical geometries are favored when P3EHT is the minority fraction. This asymmetry of the composition window is attributed to impact of conformational asymmetry (the difference in chain stiffness, as opposed to shape) between conjugated and amorphous blocks

  20. 1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells

    Luo, Jiangshui; Jensen, Annemette Hindhede; Brooks, Neil R.

    2015-01-01

    1,2,4-Triazolium perfluorobutanesulfonate (1), a novel, pure protic organic ionic plastic crystal (POIPC) with a wide plastic crystalline phase, has been explored as a proof-of-principle anhydrous proton conductor for all-solid-state high temperature hydrogen/air fuel cells. Its physicochemical p...

  1. A wrinkling-based method for investigating glassy polymer film relaxation as a function of film thickness and temperature.

    Chung, Jun Young; Douglas, Jack F; Stafford, Christopher M

    2017-10-21

    We investigate the relaxation dynamics of thin polymer films at temperatures below the bulk glass transition T g by first compressing polystyrene films supported on a polydimethylsiloxane substrate to create wrinkling patterns and then observing the slow relaxation of the wrinkled films back to their final equilibrium flat state by small angle light scattering. As with recent relaxation measurements on thin glassy films reported by Fakhraai and co-workers, we find the relaxation time of our wrinkled films to be strongly dependent on film thickness below an onset thickness on the order of 100 nm. By varying the temperature between room temperature and T g (≈100 °C), we find that the relaxation time follows an Arrhenius-type temperature dependence to a good approximation at all film thicknesses investigated, where both the activation energy and the relaxation time pre-factor depend appreciably on film thickness. The wrinkling relaxation curves tend to cross at a common temperature somewhat below T g , indicating an entropy-enthalpy compensation relation between the activation free energy parameters. This compensation effect has also been observed recently in simulated supported polymer films in the high temperature Arrhenius relaxation regime rather than the glassy state. In addition, we find that the film stress relaxation function, as well as the height of the wrinkle ridges, follows a stretched exponential time dependence and the short-time effective Young's modulus derived from our modeling decreases sigmoidally with increasing temperature-both characteristic features of glassy materials. The relatively facile nature of the wrinkling-based measurements in comparison to other film relaxation measurements makes our method attractive for practical materials development, as well as fundamental studies of glass formation.

  2. Single crystal growth and electronic states in RCu2Sb2

    Dung, Nguyen Duc; Takeda, Yuji; Ota, Yuuki; Ishikura, Tatsuro; Sugiyama, Kiyohiro; Settai, Rikio; Onuki, Yoshichika; Matsuda, Tatsuma D.; Haga, Yoshinori; Takeuchi, Tetsuya; Harima, Hisatomo; Goto, Saori; Mitsumoto, Keisuke; Akatsu, Mitsuhiro; Nemoto, Yuichi; Goto, Terutaka

    2009-01-01

    A series of ternary compounds RCu 2 Si 2 (R: rare earth) has been grown in single-crystalline form by the flux method. The magnetic and electronic properties of these compounds were investigated by measuring the electrical receptivity, specific heat, magnetization, thermal expansion, ultrasonic and dHvA measurements. The anisotropy in susceptibility and magnetization is relatively small in RCu 2 Si 2 , reflecting the small splitting energy of the 4f electronic state by the crystalline electric field. The quadrupolar interaction most likely plays an important role in the relatively high antiferromagnetic ordering temperature in PrCu 2 Si 2 . Characteristic features of the observed Fermi surfaces in YbCu 2 Si 2 and YbCu 2 Ge 2 are discussed on the basis of the band calculations. (author)

  3. Effect of deviation from stoichiometry on the nature of shallow acceptor states in CdTe crystals

    Agrinskaya, N.V.; Shashkova, V.V.

    1988-01-01

    Photoconductivity and photoluminescence spectra in the region of donor-acceptor recombination of pure CdTe crystals, grown under conditions of different deviations from stoichiometry are investigated. It is shown that the predominant type of minor acceptors in n-type crystals (with Cd excess) differs from acceptors in p-type crystals (with Te excess). Residual acceptors replacing Te(P, As) prevail in n-type crystals and acceptors replacing Cd(Li, Na) prevail in p-type crystals. As a result of p-type crystal annealing a change of the type of prevailing aceptors accurs in Cd pairs (bands linked with P, As prevail) which testifies to the residual impurity reconstruction in Cd and Te sublattices

  4. Observation of multiphase magnetic state of hematite crystal during Morin transition by the method of section topography of synchrotron radiation

    Shchetinkin, S.A.; Kvardakov, V.V.; Viler, Eh.; Barushel', Zh.; Shlenker, M.

    2005-01-01

    The boundaries between weak ferromagnetic and antiferromagnetic phases in hematite crystals during Morin transition are detected by the section topography method by synchrotron radiation. It is shown that these boundaries are parallel to (111) surface hence magnetic phases during Morin transition separate the crystal by layers. Change of layer depth in dependence on temperature and magnetic field, and interaction interphase boundaries with crystal defects are observed [ru

  5. Forced-ferromagnetic state in a Tm.sub.2./sub.Fe.sub.17./sub.H.sub.5./sub. single crystal

    Tereshina, Evgeniya; Kuz'min, M.D.; Skourski, Y.; Doerr, M.; Iwasieczko, W.; Wosnitza, J.; Tereshina, I. S.

    2017-01-01

    Roč. 29, č. 24 (2017), s. 1-6, č. článku 24LT01. ISSN 0953-8984 Institutional support: RVO:68378271 Keywords : single crystal * hydride * forced-ferromagnetic state * rare- earth -iron intermetallic compound Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.649, year: 2016

  6. Investigations into the Surface Strain/Stress State in a Single-Crystal Superalloy via XRD Characterization

    Haodong Duan

    2018-05-01

    Full Text Available The present study was aimed at determining the surface strain/stress state in an Ni-based single-crystal (SC superalloy that was subjected to two different cooling rates from solid solution temperature through using the X-ray diffraction (XRD method. The normal stresses σ 11 s and σ 22 s were determined, then the Von Mises stresses ( σ V M s were derived from them. Field emission gun scanning electron microscope (FEG-SEM and transmission electron microscope (TEM micrographs were taken to illustrate the strain/stress state change. The precipitation of the secondary γ′ phases in the γ phase and the formation of the dislocation in the interphase upon a slower cooling rate caused the γ phase lattice distortion to increase, so a larger σ V M s of the γ phase was realized in comparison to the faster cooling sample. For both of the two cooling modes, we found that the σ V M s of the γ′ phase increased due to the growth of the γ′ phase during the aging process. Also, the aging process led to pronouncedly anisotropic lattice mismatches in the {331} and {004} planes. In addition, the surface strain/stress states of a cylinder sample and a tetragonal sample were also studied using a faster cooling rate, and σ 11 s and σ 22 s were analyzed to explain the influence of the shape factor on the stress anisotropy in the [001] and [ 1 1 ¯ 0 ] orientations. The strain in the [001] orientation of the γ phase is more sensitive to the shape change.

  7. ''Glassy'' low temperature thermal properties in crystalline solids

    Nathan, B.D.

    1976-05-01

    Amorphous dielectrics are known to exhibit anomalous low temperature properties. An extensive review of these properties is presented with an eye toward an understanding of low-lying excitation modes thought to exist in glasses. Work on these systems is described in which a Zr-20 percent Nb samplewhich would be expected to reduce and redistribute the proposed tunneling states. Indeed, the thermal conductivity becomes similar to that of a quenched Zr-8 percent Nb sample and the ''excess'' specific heat linear in temperature dependence is reduced to half the value found in quenched Zr-20 percent Nb. The coefficient of the T 3 term in the specific heat unexpectedly increased from 23.3 to 56.9 erg/gm K 4 and this is attributed to a softening of the lattice due to annealing. The specific heat of this sample was remeasured after it had been dunked in liquid nitrogen. The cubic term was then found to be 19.5 erg/g K 4 , smaller than that in quenched Zr-20 percent Nb, an effect which had been expected due to the chemical diffusion during annealing. Further study of this phenomenon is suggested. Among other relevant measurements performed were the specific heat of a sample of amorphous B 2 O 3 (presented by Stephens (1976)); thermal conductivities of phase-separated unleached Vycor glass and Pyrex; thermal conductivities above 1.2 0 K of polycrystalline MgO, heat-treated Pyroceram and porous Vycor (presented by Tait (1975)) and of mixed crystal KBr-KI (presented by Nathan, Lou and Tait (1976)). The last sample exhibited density fluctuations on a scale of 1000 A but exhibited thermal properties typical of dielectric crystal. Speed of sound measurements were made on both unleached and porous Vycor

  8. Crystallizing Vanadium Pentoxide Nanostructures in the Solid-State Using Modified Block Copolymer and Chitosan Complexes

    C. Diaz

    2015-01-01

    Full Text Available A systematic study of the synthesis of V2O5 nanostructured materials using macromolecular PS-co-4-PVP·(VCl3y and chitosan·(VCl3y complexes is presented. It is demonstrated that various coordination degrees of the metal into the polymeric chain specifically influence the product formation after pyrolysis. PS-co-4-PVP·(VCl3y and chitosan·(VCl3y complexes were prepared by simple coordination reaction of VCl3 with the respective polymer in molar ratios 1 : 1, 1 : 5, and 1 : 10 metal/polymer and characterized by elemental analysis, IR spectroscopy, and TGA/DSC analysis. Solid-state thermolysis of these precursors at several temperatures under air results in nanostructured V2O5 using all precursors. The size and shape of the nanostructured V2O5 depend on the nature of the polymer. For the chitosan·(VCl3y precursors sub-10 nm nanocrystals are formed. The calcination process, involved in the preparation method, produces V2O5 with photoluminescence in the visible light region, suggesting the possible application in oxygen sensing devices.

  9. Equilibrium state of a cylindrical particle with flat ends in nematic liquid crystals.

    Hashemi, S Masoomeh; Ejtehadi, Mohammad Reza

    2015-01-01

    A continuum theory is employed to numerically study the equilibrium orientation and defect structures of a circular cylindrical particle with flat ends under a homeotropic anchoring condition in a uniform nematic medium. Different aspect ratios of this colloidal geometry from thin discotic to long rodlike shapes and several colloidal length scales ranging from mesoscale to nanoscale are investigated. We show that the equilibrium state of this colloidal geometry is sensitive to the two geometrical parameters: aspect ratio and length scale of the particle. For a large enough mesoscopic particle, there is a specific asymptotic equilibrium angle associated to each aspect ratio. Upon reducing the particle size to nanoscale, the equilibrium angle follows a descending or ascending trend in such a way that the equilibrium angle of a particle with the aspect ratio bigger than 1:1 (a discotic particle) goes to a parallel alignment with respect to the far-field nematic, whereas the equilibrium angle for a particle with the aspect ratio 1:1 and smaller (a rodlike particle) tends toward a perpendicular alignment to the uniform nematic direction. The discrepancy between the equilibrium angles of the mesoscopic and nanoscopic particles originates from the significant differences between their defect structures. The possible defect structures related to mesoscopic and nanoscopic colloidal particles of this geometry are also introduced.

  10. Transfer behavior of quantum states between atoms in photonic crystal coupled cavities

    Zhang Ke; Li Zhiyuan

    2010-01-01

    In this article, we discuss the one-excitation dynamics of a quantum system consisting of two two-level atoms each interacting with one of two coupled single-mode cavities via spontaneous emission. When the atoms and cavities are tuned into resonance, a wide variety of time-evolution behaviors can be realized by modulating the atom-cavity coupling strength g and the cavity-cavity hopping strength λ. The dynamics is solved rigorously via the eigenproblem of an ordinary coupled linear system and simple analytical solutions are derived at several extreme situations of g and λ. In the large hopping limit where g >λ, the time-evolution behavior of the system is characterized by the usual slowly varying carrier envelope superimposed upon a fast and violent oscillation. At a certain instant, the energy is fully transferred from the one quantum subsystem to the other. When the two interaction strengths are comparable in magnitude, the dynamics acts as a continuous pulse having irregular frequency and line shape of peaks and valleys, and the complicated time-evolution behaviors are ascribed to the violent competition between all the one-excitation quantum states. The coupled quantum system of atoms and cavities makes a good model to study cavity quantum electrodynamics with great freedoms of many-body interaction.

  11. Spin state of mixed crystals of iron with zinc or cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

    Nakashima, S [Natural Science Center for Basic Research and Development, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-8526 (Japan); Dote, T; Atsuchi, M; Inoue, K, E-mail: snaka@hiroshima-u.ac.j [Graduate School of Science, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-8526 (Japan)

    2010-03-01

    Mixed crystals, [Fe{sub 1-x}M{sub x}(NCX){sub 2}(bpp){sub 2}] (M=Zn, Co; X=S, Se; bpp1,3-bis(4-pyridyl)propane), had a similar structure with 2D interpenetrated structure of [Fe(NCX){sub 2}(bpp){sub 2}]. The proportion of Fe{sup II} low-spin state in the mixed crystals of NCSe complex increased compared with that of the corresponding Fe complex, while such change in the Moessbauer spectra was not observed in the NCS complex.

  12. The steady-state and transient electron transport within bulk zinc-blende indium nitride: The impact of crystal temperature and doping concentration variations

    Siddiqua, Poppy; O'Leary, Stephen K.

    2016-01-01

    Within the framework of a semi-classical three-valley Monte Carlo electron transport simulation approach, we analyze the steady-state and transient aspects of the electron transport within bulk zinc-blende indium nitride, with a focus on the response to variations in the crystal temperature and the doping concentration. We find that while the electron transport associated with zinc-blende InN is highly sensitive to the crystal temperature, it is not very sensitive to the doping concentration selection. The device consequences of these results are then explored.

  13. A consequence of local equilibration and heterogeneity in glassy materials

    Berthier, Ludovic

    2003-01-01

    The existence of a generalized fluctuation-dissipation theorem observed in simulations and experiments performed in various glassy materials is related to the concepts of local equilibration and heterogeneity in space. Assuming the existence of a dynamic coherence length scale up to which the system is locally equilibrated, we extend previous generalizations of the FDT relating static to dynamic quantities to the physically relevant domain where asymptotic limits of large times and sizes are not reached. The formulation relies on a simple scaling argument and thus does not have the character of a theorem. Extensive numerical simulations support this proposition. Our results quite generally apply to systems with slow dynamics, independently of the space dimensionality, the chosen dynamics or the presence of disorder

  14. Mechanical Properties for Reliability Analysis of Structures in Glassy Carbon

    Garion, Cédric

    2014-01-01

    Despite its good physical properties, the glassy carbon material is not widely used, especially for structural applications. Nevertheless, its transparency to particles and temperature resistance are interesting properties for the applications to vacuum chambers and components in high energy physics. For example, it has been proposed for fast shutter valve in particle accelerator [1] [2]. The mechanical properties have to be carefully determined to assess the reliability of structures in such a material. In this paper, mechanical tests have been carried out to determine the elastic parameters, the strength and toughness on commercial grades. A statistical approach, based on the Weibull’s distribution, is used to characterize the material both in tension and compression. The results are compared to the literature and the difference of properties for these two loading cases is shown. Based on a Finite Element analysis, a statistical approach is applied to define the reliability of a structural component in gl...

  15. Topological structure and mechanics of glassy polymer networks.

    Elder, Robert M; Sirk, Timothy W

    2017-11-22

    The influence of chain-level network architecture (i.e., topology) on mechanics was explored for unentangled polymer networks using a blend of coarse-grained molecular simulations and graph-theoretic concepts. A simple extension of the Watts-Strogatz model is proposed to control the graph properties of the network such that the corresponding physical properties can be studied with simulations. The architecture of polymer networks assembled with a dynamic curing approach were compared with the extended Watts-Strogatz model, and found to agree surprisingly well. The final cured structures of the dynamically-assembled networks were nearly an intermediate between lattice and random connections due to restrictions imposed by the finite length of the chains. Further, the uni-axial stress response, character of the bond breaking, and non-affine displacements of fully-cured glassy networks were analyzed as a function of the degree of disorder in the network architecture. It is shown that the architecture strongly affects the network stability, flow stress, onset of bond breaking, and ultimate stress while leaving the modulus and yield point nearly unchanged. The results show that internal restrictions imposed by the network architecture alter the chain-level response through changes to the crosslink dynamics in the flow regime and through the degree of coordinated chain failure at the ultimate stress. The properties considered here are shown to be sensitive to even incremental changes to the architecture and, therefore, the overall network architecture, beyond simple defects, is predicted to be a meaningful physical parameter in the mechanics of glassy polymer networks.

  16. Boron ion irradiation induced structural and surface modification of glassy carbon

    Kalijadis, Ana; Jovanović, Zoran; Cvijović-Alagić, Ivana; Laušević, Zoran

    2013-01-01

    The incorporation of boron into glassy carbon was achieved by irradiating two different types of targets: glassy carbon polymer precursor and carbonized glassy carbon. Targets were irradiated with a 45 keV B 3+ ion beam in the fluence range of 5 × 10 15 –5 × 10 16 ions cm −2 . For both types of targets, the implanted boron was located in a narrow region under the surface. Following irradiation, the polymer was carbonized under the same condition as the glassy carbon samples (at 1273 K) and examined by Raman spectroscopy, temperature programmed desorption, hardness and cyclic voltammetry measurements. Structural analysis showed that during the carbonization process of the irradiated polymers, boron is substitutionally incorporated into the glassy carbon structure, while for irradiated carbonized glassy carbon samples, boron irradiation caused an increase of the sp 3 carbon fraction, which is most pronounced for the highest fluence irradiation. Further analyses showed that different nature of boron incorporation, and thus changed structural parameters, are crucial for obtaining glassy carbon samples with modified mechanical, chemical and electrochemical properties over a wide range

  17. Crystal structure and dynamics of a lipid-induced potential desensitized-state of a pentameric ligand-gated channel

    Basak, Sandip [Department of Physiology and Biophysics, School of Medicine, Case Western Reserve University, Cleveland, United States; Schmandt, Nicolaus [Department of Neuroscience, School of Medicine, Case Western Reserve University, Cleveland, United States; Gicheru, Yvonne [Department of Physiology and Biophysics, School of Medicine, Case Western Reserve University, Cleveland, United States; Chakrapani, Sudha [Department of Physiology and Biophysics, School of Medicine, Case Western Reserve University, Cleveland, United States

    2017-03-06

    Desensitization in pentameric ligand-gated ion channels plays an important role in regulating neuronal excitability. Here, we show that docosahexaenoic acid (DHA), a key ω-3 polyunsaturated fatty acid in synaptic membranes, enhances the agonist-induced transition to the desensitized state in the prokaryotic channel GLIC. We determined a 3.25 Å crystal structure of the GLIC-DHA complex in a potentially desensitized conformation. The DHA molecule is bound at the channel-periphery near the M4 helix and exerts a long-range allosteric effect on the pore across domain-interfaces. In this previously unobserved conformation, the extracellular-half of the pore-lining M2 is splayed open, reminiscent of the open conformation, while the intracellular-half is constricted, leading to a loss of both water and permeant ions. These findings, in combination with spin-labeling/EPR spectroscopic measurements in reconstituted-membranes, provide novel mechanistic details of desensitization in pentameric channels.

  18. Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

    Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

    2015-06-01

    Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

  19. Crystal structure of human lysyl oxidase-like 2 (hLOXL2) in a precursor state.

    Zhang, Xi; Wang, Qifan; Wu, Jianping; Wang, Jiawei; Shi, Yigong; Liu, Minhao

    2018-04-10

    Lysyl oxidases (LOXs), a type of copper- and lysyl tyrosylquinone (LTQ) -dependent amine oxidase, catalyze the oxidative deamination of lysine residues of extracellular matrix (ECM) proteins such as elastins and collagens and generate aldehyde groups. The oxidative deamination of lysine represents the foundational step for the cross-linking of elastin and collagen and thus is crucial for ECM modeling. Despite their physiological significance, the structure of this important family of enzymes remains elusive. Here we report the crystal structure of human lysyl oxidase-like 2 (hLOXL2) at 2.4-Å resolution. Unexpectedly, the copper-binding site of hLOXL2 is occupied by zinc, which blocks LTQ generation and the enzymatic activity of hLOXL2 in our in vitro assay. Biochemical analysis confirms that copper loading robustly activates hLOXL2 and supports LTQ formation. Furthermore, the LTQ precursor residues in the structure are distanced by 16.6 Å, corroborating the notion that the present structure may represent a precursor state and that pronounced conformational rearrangements would be required for protein activation. The structure presented here establishes an important foundation for understanding the structure-function relationship of LOX proteins and will facilitate LOX-targeting drug discovery. Copyright © 2018 the Author(s). Published by PNAS.

  20. Glass formation and crystallization in Zr based alloys

    Dey, G. K.

    2011-01-01

    Metallic glasses have come in to prominence in recent times because their nanocrystalline atomic arrangement imparts many useful and unusual properties to these metallic solids. Though these have been produced for the last four decades, the necessity of rapid solidification at cooling rates of 10 5 K/sec or higher for their production, have restricted their geometry to thin ribbons and prevented their application to many areas despite their excellent properties. It has been shown in recent investigations that, many Zr base multicomponent alloys can be obtained in glassy state by cooling at much lower rate typically 10 2 to 10 3 K/sec. This has enabled production of these alloys in the glassy stat in bulk. By now, bulk metallic glasses have been produced in Mg, Ln, Zr, Fe, Pd-Cu, Pd-Fe, Ti and Ni- based alloys. Production of these glasses in bulk has opened avenue for their application in many areas where their excellent mechanical properties an corrosion resistance can be exploited. The transformation of the amorphous phase in these alloys to one or more crystalline phases, is an interesting phase transformation and can lead to formation of crystals in a variety of morphologies and a wide range of crystal sizes, including nanometer size crystals or nanocrystals. The bulk amorphous alloys exhibit higher fracture stress, combined with higher hardness and lower young's modulus than those of any crystalline alloy. The Zr- and Ti-based bulk amorphous alloy exhibit high bending and flexural strength values which are typically 2.0 to 2.5 time higher than those for crystalline counterparts. The composites of bulk metallic glass containing crystalline phases have been found to have special properties. This has been demonstrated in the case of composites of bulk metallic glass and tungsten wires wit the glass forming the matrix. Such a composite has a very high impact strength and is especially suitable for application as an armour penetrator in various types of shells used

  1. Ground and excited state absorption of Ni{sup 2+} ions in MgAl{sub 2}O{sub 4}: Crystal field analysis

    Brik, M.G. [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Sakyo-ku, Kyoto 606-8103 (Japan) and Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan)]. E-mail: brik@fukui.kyoto-u.ac.jp; Avram, N.M. [Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Avram, C.N. [Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Rudowicz, C. [Institute of Physics, Szczecin University of Technology, Al. Piastow 17, 70-310 Szczecin (Poland); Yeung, Y.Y. [Department of Mathematics, Science, Social Sciences and Technology, The Hong Kong Institute of Education, 10 Lo Ping Road, Tai Po, New Territories (Hong Kong); Gnutek, P. [Institute of Physics, Szczecin University of Technology, Al. Piastow 17, 70-310 Szczecin (Poland)

    2007-04-25

    The exchange charge model (ECM) of crystal field is utilized to provide the theoretical explanation of the ground state absorption and the excited state absorption observed for the octahedrally coordinated Ni{sup 2+} ions in the spinel MgAl{sub 2}O{sub 4}. The ECM enables modeling of the crystal field parameters (CFPs) for the impurity ions based on the crystal structure data of the host lattice. To ensure the reliability of the CFPs, the convergence of the CFP values with the increasing number of the coordination spheres taken into account in the ECM calculations is considered. The trigonal CFPs B{sub 2}{sup 0},B{sub 4}{sup 0}andB{sub 4}{sup -3} determined by the ECM, together with the appropriate Racah parameters B and C, serve as input to two crystal field analysis computer packages, which compute the energy level schemes within the whole 3d{sup 8} configuration. The cubic approximation utilizing only one CFP Dq is also discussed. Basic features of the ground and excited state absorption spectra observed for MgAl{sub 2}O{sub 4}:Ni{sup 2+} are satisfactorily explained by our crystal field analysis. In order to model the pressure dependence of the CFPs (and thus of the absorption spectra when relevant experimental data become available), the variation of the CFPs induced by possible distortions of the lattice due to, e.g. overall relaxation of the ions or accommodation of the impurity ions in the lattice, is studied. Analysis of the experimental absorption spectra enables us to evaluate also the Huang-Rhys parameter, the effective phonon energy, and the zero-phonon line position.

  2. X-ray Free Electron Laser Determination of Crystal Structures of Dark and Light States of a Reversibly Photoswitching Fluorescent Protein at Room Temperature

    Christopher D. M. Hutchison

    2017-09-01

    Full Text Available The photochromic fluorescent protein Skylan-NS (Nonlinear Structured illumination variant mEos3.1H62L is a reversibly photoswitchable fluorescent protein which has an unilluminated/ground state with an anionic and cis chromophore conformation and high fluorescence quantum yield. Photo-conversion with illumination at 515 nm generates a meta-stable intermediate with neutral trans-chromophore structure that has a 4 h lifetime. We present X-ray crystal structures of the cis (on state at 1.9 Angstrom resolution and the trans (off state at a limiting resolution of 1.55 Angstrom from serial femtosecond crystallography experiments conducted at SPring-8 Angstrom Compact Free Electron Laser (SACLA at 7.0 keV and 10.5 keV, and at Linac Coherent Light Source (LCLS at 9.5 keV. We present a comparison of the data reduction and structure determination statistics for the two facilities which differ in flux, beam characteristics and detector technologies. Furthermore, a comparison of droplet on demand, grease injection and Gas Dynamic Virtual Nozzle (GDVN injection shows no significant differences in limiting resolution. The photoconversion of the on- to the off-state includes both internal and surface exposed protein structural changes, occurring in regions that lack crystal contacts in the orthorhombic crystal form.

  3. Impact of the structural state on the mechanical properties in a Zr–Co–Al bulk metallic glass

    Qiao, J.C.; Pelletier, J.M.; Esnouf, C.; Liu, Y.; Kato, H.

    2014-01-01

    Highlights: • Atomic mobility in metallic glass was studied by DMA, HRTEM and nanoindentation. • Physical ageing and crystallization reduce the atomic mobility. • Plastic deformation, i.e. cold-rolling enhances the atomic mobility. • Atomic mobility in glassy materials can be described by quasi-point defects model. - Abstract: This paper reports on the use of differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA) and nanoindentation technique to investigate atomic mobility in Zr 56 Co 28 Al 16 bulk metallic glass in the as-cast state, after thermal annealing and after cold rolling. From the DMA results together with nanoindentation data point of view, the atomic mobility is significantly modified by the thermo-mechanical history. On the one hand, atomic mobility in bulk metallic glass is reduced after physical aging or crystallization. On the other hand, the atomic mobility in metallic glass is enhanced by cold rolling. To analyze the atomic mobility in amorphous materials, a physical theory is introduced. This model invoked the concept of quasi-point defects, which correspond to the density fluctuations in the glassy materials. Correlated movements of atoms are assisted by these quasi-point defects and the correlation factor χ is connected to the concentration of these “defects” in metallic glasses: (i) physical aging and crystallization decreases the parameter χ and (ii) the concentration of defects augments via plastic deformation (i.e. cold-rolling), suggesting that the correlation factor χ reflects the atomic mobility for glassy materials in a quantitative manner. This correlation bridges the gap between the mechanical properties on macroscopic scale and atomic mobility in microstructural regions in metallic glasses

  4. A glassy lava flow from Toconce volcano and its relation with the Altiplano-Puna Magma Body in Central Andes

    Godoy, B.; Rodriguez, I.; Aguilera, F.

    2012-12-01

    Toconce is a composite stratovolcano located at the San Pedro - Linzor volcanic chain (SPLVC). This volcanic chain distributes within the Altiplano-Puna region (Central Andes) which is characterized by extensive rhyodacitic-to-rhyolitic ignimbritic fields, and voluminous domes of dacitic-to-rhyolitic composition (de Silva, 1989). The felsic melts that gave origin to ignimbrites and domes at this area were generated by mixing of mantle-derived magmas and anatectic melts assimilated during their ascent through the thick crust. Thus, partially molten layers exist in the upper crust below the APVC (de Silva et al., 2006). Evidence of large volumes of such melts has been also proposed by geophysical methods (i.e. the Altiplano-Puna Magma Body; Chmielowsky et al., 1999) In this work, petrography and whole rock, mineralogical and melt inclusions geochemistry of a glassy lava flow of Toconce volcano are presented. Petrographically, this lava flow shows a porphyric texture, with euhdral to subhedral plagioclase, ortho- and clino-pyroxene phenocrysts immersed in a glassy groundmass. Geochemically, the lava flow has 64.7% wt. SiO2. The glassy groundmass (~70% wt. SiO2) is more felsic than all the lavas in the volcanic chain (47-68% wt., Godoy et al., 2011). Analyzed orthopyroxene-hosted melt inclusions show an even higher SiO2 content (72-75% wt.), and a decreasing on Al2O3, Na2O, and CaO content with differentiation. Crystallization pressures of this lava flow, obtained using Putirka's two-pyroxene and clinopyroxene-liquid models (Putirka, 2008), range between 6 and 9 kbar. According to crystallization pressures, and major element composition, a felsic source located at shallow crustal pressures - where plagioclase is a stable mineralogical phase - originated the inclusions. This could be related to the presence of the Altiplano-Puna Magma Body (APMB) located below SPLVC. On the other hand, glassy groundmass, and disequilibrium textures in minerals of this lava flow could

  5. Calix[6]arene mono-diazonium salt synthesis and covalent immobilization onto glassy carbon electrodes

    Cannizzo, Caroline; Jasmin, Jean-Philippe; Vautrin-Ul, Christine; Chausse, Annie; Wagner, Mathieu; Doizi, Denis; Lamouroux, Christine

    2014-01-01

    This Letter describes the fast synthesis of a mono-aminated calix[6]arene. The immobilization of this macrocycle onto glassy carbon electrodes via diazonium salt chemistry and the electrochemical characterization of the grafted organic layer are also reported. (authors)

  6. Determination of Volatility and Element Fractionation in Glassy Fallout Debris by SIMS

    Williamson, Todd L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tenner, Travis Jay [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bonamici, Chloe Elizabeth [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kinman, William Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollington, Anthony Douglas [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Steiner, Robert Ernest [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-10

    The purpose of this report is to characterize glassy fallout debris using the Trinity Test and then characterize the U-isotopes of U3O8 reference materials that contain weaponized debris.

  7. Primary and aggregate color centers in proton irradiated LiF crystals and thin films for luminescent solid state detectors

    Piccinini, M; Ambrosini, F; Ampollini, A; Bonfigli, F; Libera, S; Picardi, L; Ronsivalle, C; Vincenti, M A; Montereali, R M

    2015-01-01

    Proton beams of 3 MeV energy, produced by the injector of a linear accelerator for proton therapy, were used to irradiate at room temperature lithium fluoride crystals and polycrystalline thin films grown by thermal evaporation. The irradiation fluence range was 10 11 -10 15 protons/cm 2 . The proton irradiation induced the stable formation of primary and aggregate color centers. Their formation was investigated by optical absorption and photoluminescence spectroscopy. The F 2 and F 3 + photoluminescence intensities, carefully measured in LiF crystals and thin films, show linear behaviours up to different maximum values of the irradiation fluence, after which a quenching is observed, depending on the nature of the samples (crystals and films). The Principal Component Analysis, applied to the absorption spectra of colored crystals, allowed to clearly identify the formation of more complex aggregate defects in samples irradiated at highest fluences. (paper)

  8. Primary and aggregate color centers in proton irradiated LiF crystals and thin films for luminescent solid state detectors

    Piccinini, M.; Ambrosini, F.; Ampollini, A.; Bonfigli, F.; Libera, S.; Picardi, L.; Ronsivalle, C.; Vincenti, M. A.; Montereali, R. M.

    2015-04-01

    Proton beams of 3 MeV energy, produced by the injector of a linear accelerator for proton therapy, were used to irradiate at room temperature lithium fluoride crystals and polycrystalline thin films grown by thermal evaporation. The irradiation fluence range was 1011-1015 protons/cm2. The proton irradiation induced the stable formation of primary and aggregate color centers. Their formation was investigated by optical absorption and photoluminescence spectroscopy. The F2 and F3+ photoluminescence intensities, carefully measured in LiF crystals and thin films, show linear behaviours up to different maximum values of the irradiation fluence, after which a quenching is observed, depending on the nature of the samples (crystals and films). The Principal Component Analysis, applied to the absorption spectra of colored crystals, allowed to clearly identify the formation of more complex aggregate defects in samples irradiated at highest fluences.

  9. Controlling charge-density-wave states in nano-thick crystals of 1T-TaS2

    Yoshida, Masaro; Zhang, Yijin; Ye, Jianting; Suzuki, Ryuji; Imai, Yasuhiko; Kimura, Shigeru; Fujiwara, Akihiko; Iwasa, Yoshihiro

    2014-01-01

    Two-dimensional crystals, especially graphene and transition metal dichalcogenides (TMDs), are attracting growing interests because they provide an ideal platform for novel and unconventional electronic band structures derived by thinning. The thinning may also affect collective phenomena of

  10. Crystal Growth Technology

    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.

  11. Modification of glassy carbon electrode with a polymer/mediator composite and its application for the electrochemical detection of iodate

    Li, Ta-Jen; Lin, Chia-Yu; Balamurugan, A.; Kung, Chung-Wei; Wang, Jen-Yuan; Hu, Chih-Wei; Wang, Chun-Chieh; Chen, Po-Yen; Vittal, R.; Ho, Kuo-Chuan

    2012-01-01

    Highlights: ► FAD and PEDOT are combined to modify the glassy carbon electrode for IO 3 − sensing. ► The doping of FAD into PEDOT matrix can almost be viewed as an irreversible process. ► The optimal cycle number for preparing the GCE/PEDOT/FAD electrode is found to be 9. ► The detection limit of the GCE/PEDOT/FAD electrode for IO 3 − is found to be 0.16 μM. ► The GCE/PEDOT/FAD electrode possesses enough selectivity toward IO 3 − . - Abstract: A modified glassy carbon electrode was prepared by depositing a composite of polymer and mediator on a glassy carbon electrode (GCE). The mediator, flavin adenine dinucleotide (FAD) and the polymer, poly(3,4-ethylenedioxythiophene) (PEDOT) were electrochemically deposited as a composite on the GCE by applying cyclic voltammetry (CV). This modified electrode is hereafter designated as GCE/PEDOT/FAD. FAD was found to significantly enhance the growth of PEDOT. Electrochemical quartz crystal microbalance (EQCM) analysis was performed to study the mass changes in the electrode during the electrodeposition of PEDOT, with and without the addition of FAD. The optimal cycle number for preparing the modified electrode was determined to be 9, and the corresponding surface coverage of FAD (Γ FAD ) was ca. 5.11 × 10 −10 mol cm −2 . The amperometric detection of iodate was performed in a 100 mM buffer solution (pH 1.5). The GCE/PEDOT/FAD showed a sensitivity of 0.78 μA μM −1 cm −2 , a linear range of 4–140 μM, and a limit of detection of 0.16 μM for iodate. The interference effects of 250-fold Na + , Mg 2+ , Ca 2+ , Zn 2+ , Fe 2+ , Cl − , NO 3 − , I − , SO 4 2− and SO 3 2− , with reference to the concentration of iodate were negligible. The long-term stability of GCE/PEDOT/FAD was also investigated. The GCE/PEDOT/FAD electrode retained 82% of its initial amperometric response to iodate after 7 days. The GCE/PEDOT/FAD was also applied to determine iodate in a commercial salt.

  12. Pressure-induced emission band separation of the hybridized local and charge transfer excited state in a TPE-based crystal.

    Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru

    2018-05-08

    We herein report a newly synthesized simple molecule, named TPE[double bond, length as m-dash]C4, with twisted D-A structure. TPE[double bond, length as m-dash]C4 showed two intrinsic emission bands ascribed to the locally excited (LE) state and the intramolecular charge transfer (ICT) state, respectively. In the crystal state, the LE emission band is usually observed. However, by applying hydrostatic pressure to the powder sample and the single crystal sample of TPE[double bond, length as m-dash]C4, dual-fluorescence (445 nm and 532 nm) was emerged under high pressure, owing to the pressure-induced emission band separation of the hybridized local and charge transfer excited state (HLCT). It is found that the emission of TPE[double bond, length as m-dash]C4 is generally determined by the ratio of the LE state to the ICT state. The ICT emission band is much more sensitive to the external pressure than the LE emission band. The HLCT state leads to a sample with different responsiveness to grinding and hydrostatic pressure. This study is of significance in the molecular design of such D-A type molecules and in the control of photoluminescence features by molecular structure. Such results are expected to pave a new way to further understand the relationship between the D-A molecular structure and stimuli-responsive properties.

  13. Electrocatalytic Determination of Isoniazid by a Glassy Carbon Electrode Modified with Poly (Eriochrome Black T)

    Karim Asadpour-Zeynali; Venus Baghalabadi

    2017-01-01

    In this work poly eriochrome black T (EBT) was electrochemically synthesized on the glassy carbon electrode as electrode modifier. On the modified electrode, voltammetric behavior of isoniazid (INH) was investigated. The poly (EBT)-modified glassy carbon electrode has excellent electrocatalytic ability for the electrooxidation of isoniazid. This fact was appeared as a reduced overpotential of INH oxidation in a wide operational pH range from 2 to 13. It has been found that the catalytic peak ...

  14. Electrical properties of carbon nanotubes modified GaSe glassy system

    Khan, Hana; Khan, Zubair M. S. H.; Islam, Shama; Rahman, Raja Saifu; Husain, M.; Zulfequar, M.

    2018-05-01

    In this paper we report the investigation of the effect of Carbon Nanotubes (CNT) addition on the electrical properties of GaSe Glassy system. Dielectric constant and dielectric loss of GaSe glassy system are found to increase on CNT addition. The conductivity of GaSe glasy systems is also found to increase on CNT addition. This behavior is attributed to the excellent conduction properties of Carbon Nanotube.

  15. Dielectric relaxation in glassy Se75In25− xPbx alloys

    In this paper we report the effect of Pb incorporation in the dielectric properties of a-Se75In25 glassy alloy. The temperature and frequency dependence of the dielectric constants and the dielectric losses in glassy Se75In25−Pb ( = 0, 5, 10 and 15) alloys in the frequency range (1 kHz–5 MHz) and temperature range ...

  16. Partially and fully de-alloyed glassy ribbons based on Au: Application in methanol electro-oxidation studies

    Paschalidou, Eirini Maria, E-mail: epaschal@unito.it [Dipartimento di Chimica e Centro Interdipartimentale NIS (Nanostructured Surfaces and Interfaces), Università di Torino, Via Pietro Giuria 7, 10125, Torino (Italy); Scaglione, Federico [Dipartimento di Chimica e Centro Interdipartimentale NIS (Nanostructured Surfaces and Interfaces), Università di Torino, Via Pietro Giuria 7, 10125, Torino (Italy); Gebert, Annett; Oswald, Steffen [Leibniz Institut für Festkörper- und Werkstoffforschung IFW, Helmholtzstraße 20, 01069, Dresden (Germany); Rizzi, Paola; Battezzati, Livio [Dipartimento di Chimica e Centro Interdipartimentale NIS (Nanostructured Surfaces and Interfaces), Università di Torino, Via Pietro Giuria 7, 10125, Torino (Italy)

    2016-05-15

    In this work, electrochemical de-alloying of an amorphous alloy, Au{sub 40}Cu{sub 28}Ag{sub 7}Pd{sub 5}Si{sub 20}, cast in ribbon form by melt spinning, has been performed, obtaining self standing nanoporous materials suitable for use as electrodes for electrocatalytic applications. The de-alloying encompasses removal of less noble elements and the crystallization of Au, resulting in interconnected ligaments whose size and morphology are described as a function of time. Depending on de-alloying time, the crystals may contain residual amounts of Cu, Ag and Pd, as shown by Auger Electron Spectroscopy (AES), Energy Dispersive Spectroscopy (EDS) and Cyclic Voltammetry (CV) in a basic solution. Current density peaks in the 0.16–0.28 V range (vs Ag/AgCl) indicate that the porous ribbons are active for the electro-oxidation of methanol. The partially de-alloyed samples, which still partially contain the amorphous phase because of the shorter etching times, have finer ligaments and display peaks at lower potential. However, the current density decreases rapidly during repeated potential scans. This is attributed to the obstruction of Au sites, mainly by the Cu oxides formed during the scans. The fully de-alloyed ribbons display current peaks at about 0.20 V and remain active for hundreds of scans at more than 60% of the initial current density. They can be fully re-activated to achieve the same performance levels after a brief immersion in nitric acid. The good activity is due to trapped Ag and Pd atoms in combination with ligament morphology. - Graphical abstract: Fine ligaments and pores made by de-alloying a glassy ribbon of a Au-based alloy, homogeneously produced across the thickness (25 μm) for studying methanol's electro-oxidation behavior. - Highlights: • Size and composition of nanoporous layers tailored in de-alloying Au-based glassy ribbons. • From amorphous precursor fine crystals occur in ligaments with residual Pd and Ag. • Fully de

  17. Photonic crystal light source

    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.

  18. Network approach towards understanding the crazing in glassy amorphous polymers

    Venkatesan, Sudarkodi; Vivek-Ananth, R. P.; Sreejith, R. P.; Mangalapandi, Pattulingam; Hassanali, Ali A.; Samal, Areejit

    2018-04-01

    We have used molecular dynamics to simulate an amorphous glassy polymer with long chains to study the deformation mechanism of crazing and associated void statistics. The Van der Waals interactions and the entanglements between chains constituting the polymer play a crucial role in crazing. Thus, we have reconstructed two underlying weighted networks, namely, the Van der Waals network and the entanglement network from polymer configurations extracted from the molecular dynamics simulation. Subsequently, we have performed graph-theoretic analysis of the two reconstructed networks to reveal the role played by them in the crazing of polymers. Our analysis captured various stages of crazing through specific trends in the network measures for Van der Waals networks and entanglement networks. To further corroborate the effectiveness of network analysis in unraveling the underlying physics of crazing in polymers, we have contrasted the trends in network measures for Van der Waals networks and entanglement networks in the light of stress-strain behaviour and voids statistics during deformation. We find that the Van der Waals network plays a crucial role in craze initiation and growth. Although, the entanglement network was found to maintain its structure during craze initiation stage, it was found to progressively weaken and undergo dynamic changes during the hardening and failure stages of crazing phenomena. Our work demonstrates the utility of network theory in quantifying the underlying physics of polymer crazing and widens the scope of applications of network science to characterization of deformation mechanisms in diverse polymers.

  19. Electrochemical determination of mesotrione at organoclay modified glassy carbon electrodes.

    Kamga Wagheu, Josephine; Forano, Claude; Besse-Hoggan, Pascale; Tonle, Ignas K; Ngameni, Emmanuel; Mousty, Christine

    2013-01-15

    A natural Cameroonian smectite-type clay (SaNa) was exchanged with cationic surfactants, namely cetyltrimethylammonium (CTA) and didodecyldimethyl ammonium (DDA) modifying its physico-chemical properties. The resulting organoclays that have higher adsorption capacity for mesotrione than the pristine SaNa clay, have been used as modifiers of glassy carbon electrode for the electrochemical detection of this herbicide by square wave voltammetry. The stripping performances of SaNa, SaCTA and SaDDA modified electrodes were therefore evaluated and the experimental parameters were optimized. SaDDA gives the best results in deoxygenated acetate buffer solution (pH 6.0) after 2 min accumulation under open circuit conditions. Under optimal conditions, the reduction current is proportional to mesotrione concentration in the range from 0.25 to 2.5 μM with a detection limit of 0.26 μM. The fabricated electrode was also applied for the commercial formulation CALLISTO, used in European maize market. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Phonon activity and intermediate glassy phase of YVO3

    Massa, Nestor E.; Piamonteze, Cinthia; Tolentino, Helio C.N.; Alonso, Jose Antonio; Martinez-Lope, Maria Jesus; Casais, Maria Teresa

    2004-01-01

    We show that in YVO 3 additional hard phonons gradually become zone center infrared active below ∼210 K, verifying that a lattice phase transition takes place at about that temperature. Their gradual increment in intensity between ∼210 and ∼77 K is associated with a 'glassy' behavior found in the temperature-dependent V K edge pseudoradial distribution. This translates into an increase in the Debye-Waller factors ascribed to the appearance of V local structural disorder below ∼150 K. Conflicts between various ordering mechanisms in YVO 3 bring up similarities of the intermediate phase to known results in dielectric incommensurate systems, suggesting the formation of commensurate domains below 116 K, the onset temperature of G-type antiferromagnetism. We propose that ∼210 and ∼77 K be understood as the temperatures where the commensurate-incommensurate and incommensurate-commensurate 'lock-in' phase transitions take place. We found support for this interpretation in the inverted λ shapes of the measured heat capacity and in the overall temperature dependence of the hard phonons

  1. Dissociative electron attachment to methylhalides in 3-methylhexane glassy matrix

    Harada, K.; Irie, M.; Yoshida, H.

    1976-01-01

    Dissociative electron attachment reaction to CH 3 I, CH 3 Cl and CH 3 F in a 3-methylhexane glassy matrix was studied by determining the yield of trapped electrons and that of methyl radicals immediately after γ irradiation at 77 K as a function of the scavenger concentration. The efficiency of conversion from the trapped electrons to the methyl radicals was also studied by photobleaching the trapped electrons. The results obtained are (1) the dissociative electron attachment occurs to CH 3 F, for which the gas phase data indicate that the reaction is endothermic by 1.2 eV, during either the γ irradiation or the photobleaching, and (2) CH 3 F is relatively less efficient in scavenging photo-liberated electrons than in scavenging the electrons during the γ irradiation, whereas CH 3 I and CH 3 Cl are efficient scavengers for both the electrons. The dependence of the yields of the trapped electrons and the methyl radicals is discussed in terms of the electron-tunnelling mechanism and the epithermal electron-scavenging mechanism. (author)

  2. Activation of glassy carbon electrodes by photocatalytic pretreatment

    Dumanli, Onur [Department of Chemistry, Faculty of Science and Art, Ondokuz Mayis University, Kurupelit, 55139 Samsun (Turkey); Onar, A. Nur [Department of Chemistry, Faculty of Science and Art, Ondokuz Mayis University, Kurupelit, 55139 Samsun (Turkey)], E-mail: nonar@omu.edu.tr

    2009-11-01

    This paper describes a simple and rapid photocatalytic pretreatment procedure that removes contaminants from glassy carbon (GC) surfaces. The effectiveness of TiO{sub 2} mediated photocatalytic pretreatment procedure was compared to commonly used alumina polishing procedure. Cyclic voltammetric and chronocoulometric measurements were carried out to assess the changes in electrode reactivity by using four redox systems. Electrochemical measurements obtained on photocatalytically treated GC electrodes showed a more active surface relative to polished GC. In cyclic voltammograms of epinephrine, Fe(CN){sub 6}{sup 3-/4-} and ferrocene redox systems, higher oxidation and reduction currents were observed. The heterogeneous electron transfer rate constants (k{sup o}) were calculated for Fe(CN){sub 6}{sup 3-/4-} and ferrocene which were greater for photocatalytic pretreatment. Chronocoulometry was performed in order to find the amount of adsorbed methylene blue onto the electrode and was calculated as 0.34 pmol cm{sup -2} for photocatalytically pretreated GC. The proposed photocatalytic GC electrode cleansing and activating pretreatment procedure was more effective than classical alumina polishing.

  3. Valence states of cobalt and crystal structure peculiarities of solid solution YBa2Cu3-xCoxO6+σ

    Voronin, V.I.; Goshchinskij, B.N.; Mitberg, Eh.B.; Leonidov, I.A.; Kozhevnikov, V.L.

    2000-01-01

    Crystal structure of solid solution YBa 2 Cu 3-x Co x O 6+σ , where x = 0.2, 0.4, 0.6 and 0.8, is studied by the method of powder neutron diffraction. Charge states of the cation are calculated using the interatomic distances obtained. It is shown that cobalt in Cu1 position has valency 3 + and octahedral coordination at x = 0.2 and 0.4. Increase in doping degree involves both transition of a portion of cobalt ions in the positions mentioned to the state with valence 4 + and tetrahedral coordination and partial substitution of copper in Cu2 position [ru

  4. Effect of chain rigidity on network architecture and deformation behavior of glassy polymer networks

    Knowles, Kyler Reser

    Processing carbon fiber composite laminates creates molecular-level strains in the thermoset matrix upon curing and cooling which can lead to failures such as geometry deformations, micro-cracking, and other issues. It is known strain creation is attributed to the significant volume and physical state changes undergone by the polymer matrix throughout the curing process, though storage and relaxation of cure-induced strains remain poorly understood. This dissertation establishes two approaches to address the issue. The first establishes testing methods to simultaneously measure key volumetric properties of a carbon fiber composite laminate and its polymer matrix. The second approach considers the rigidity of the polymer matrix in regards to strain storage and relaxation mechanisms which ultimately control composite performance throughout manufacturing and use. Through the use of a non-contact, full-field strain measurement technique known as digital image correlation (DIC), we describe and implement useful experiments which quantify matrix and composite parameters necessary for simulation efforts and failure models. The methods are compared to more traditional techniques and show excellent correlation. Further, we established relationships which represent matrix-fiber compatibility in regards to critical processing constraints. The second approach involves a systematic study of epoxy-amine networks which are chemically-similar but differ in chain segment rigidity. Prior research has investigated the isomer effect of glassy polymers, showing sizeable differences in thermal, volumetric, physical, and mechanical properties. This work builds on these themes and shows the apparent isomer effect is rather an effect of chain rigidity. Indeed, it was found that structurally-dissimilar polymer networks exhibit very similar properties as a consequence of their shared average network rigidity. Differences in chain packing, as a consequence of chain rigidity, were shown to

  5. Mode coupling theory for nonequilibrium glassy dynamics of thermal self-propelled particles.

    Feng, Mengkai; Hou, Zhonghuai

    2017-06-28

    We present a mode coupling theory study for the relaxation and glassy dynamics of a system of strongly interacting self-propelled particles, wherein the self-propulsion force is described by Ornstein-Uhlenbeck colored noise and thermal noises are included. Our starting point is an effective Smoluchowski equation governing the distribution function of particle positions, from which we derive a memory function equation for the time dependence of density fluctuations in nonequilibrium steady states. With the basic assumption of the absence of macroscopic currents and standard mode coupling approximation, we can obtain expressions for the irreducible memory function and other relevant dynamic terms, wherein the nonequilibrium character of the active system is manifested through an averaged diffusion coefficient D[combining macron] and a nontrivial structural function S 2 (q) with q being the magnitude of wave vector q. D[combining macron] and S 2 (q) enter the frequency term and the vertex term for the memory function, and thus influence both the short time and the long time dynamics of the system. With these equations obtained, we study the glassy dynamics of this thermal self-propelled particle system by investigating the Debye-Waller factor f q and relaxation time τ α as functions of the persistence time τ p of self-propulsion, the single particle effective temperature T eff as well as the number density ρ. Consequently, we find the critical density ρ c for given τ p shifts to larger values with increasing magnitude of propulsion force or effective temperature, in good accordance with previously reported simulation work. In addition, the theory facilitates us to study the critical effective temperature T for fixed ρ as well as its dependence on τ p . We find that T increases with τ p and in the limit τ p → 0, it approaches the value for a simple passive Brownian system as expected. Our theory also well recovers the results for passive systems and can be

  6. A neutron diffraction study of macroscopically entangled proton states in the high temperature phase of the KHCO3 crystal at 340 K

    Fillaux, Francois; Cousson, Alain; Gutmann, Matthias J

    2008-01-01

    We utilize single-crystal neutron diffraction to study the C 2/m structure of potassium hydrogen carbonate (KHCO 3 ) and macroscopic quantum entanglement above the phase transition at T c = 318 K. Whereas split atom sites could be due to disorder, the diffraction pattern at 340 K evidences macroscopic proton states identical to those previously observed below T c by Fillaux et al (2006 J. Phys.: Condens. Matter 18 3229). We propose a theoretical framework for decoherence-free proton states and the calculated differential cross-section accords with observations. The structural transition occurs from one ordered P 2 1 /a structure (T c ) to another ordered C 2/m structure. There is no breakdown of the quantum regime. It is suggested that the crystal is a macroscopic quantum object which can be represented by a state vector. Raman spectroscopy and quasi-elastic neutron scattering suggest that the |C2/m> state vector is a superposition of the state vectors for two P 2 1 /a-like structures symmetric with respect to (a,c) planes

  7. Resting-State Functional Connectivity and Network Analysis of Cerebellum with Respect to Crystallized IQ and Gender.

    Pezoulas, Vasileios C; Zervakis, Michalis; Michelogiannis, Sifis; Klados, Manousos A

    2017-01-01

    During the last years, it has been established that the prefrontal and posterior parietal brain lobes, which are mostly related to intelligence, have many connections to cerebellum. However, there is a limited research investigating cerebellum's relationship with cognitive processes. In this study, the network of cerebellum was analyzed in order to investigate its overall organization in individuals with low and high crystallized Intelligence Quotient (IQ). Functional magnetic resonance imaging (fMRI) data were selected from 136 subjects in resting-state from the Human Connectome Project (HCP) database and were further separated into two IQ groups composed of 69 low-IQ and 67 high-IQ subjects. Cerebellum was parcellated into 28 lobules/ROIs (per subject) using a standard cerebellum anatomical atlas. Thereafter, correlation matrices were constructed by computing Pearson's correlation coefficients between the average BOLD time-series for each pair of ROIs inside the cerebellum. By computing conventional graph metrics, small-world network properties were verified using the weighted clustering coefficient and the characteristic path length for estimating the trade-off between segregation and integration. In addition, a connectivity metric was computed for extracting the average cost per network. The concept of the Minimum Spanning Tree (MST) was adopted and implemented in order to avoid methodological biases in graph comparisons and retain only the strongest connections per network. Subsequently, six global and three local metrics were calculated in order to retrieve useful features concerning the characteristics of each MST. Moreover, the local metrics of degree and betweenness centrality were used to detect hubs, i.e., nodes with high importance. The computed set of metrics gave rise to extensive statistical analysis in order to examine differences between low and high-IQ groups, as well as between all possible gender-based group combinations. Our results reveal that

  8. Resting-State Functional Connectivity and Network Analysis of Cerebellum with Respect to Crystallized IQ and Gender

    Vasileios C. Pezoulas

    2017-04-01

    Full Text Available During the last years, it has been established that the prefrontal and posterior parietal brain lobes, which are mostly related to intelligence, have many connections to cerebellum. However, there is a limited research investigating cerebellum's relationship with cognitive processes. In this study, the network of cerebellum was analyzed in order to investigate its overall organization in individuals with low and high crystallized Intelligence Quotient (IQ. Functional magnetic resonance imaging (fMRI data were selected from 136 subjects in resting-state from the Human Connectome Project (HCP database and were further separated into two IQ groups composed of 69 low-IQ and 67 high-IQ subjects. Cerebellum was parcellated into 28 lobules/ROIs (per subject using a standard cerebellum anatomical atlas. Thereafter, correlation matrices were constructed by computing Pearson's correlation coefficients between the average BOLD time-series for each pair of ROIs inside the cerebellum. By computing conventional graph metrics, small-world network properties were verified using the weighted clustering coefficient and the characteristic path length for estimating the trade-off between segregation and integration. In addition, a connectivity metric was computed for extracting the average cost per network. The concept of the Minimum Spanning Tree (MST was adopted and implemented in order to avoid methodological biases in graph comparisons and retain only the strongest connections per network. Subsequently, six global and three local metrics were calculated in order to retrieve useful features concerning the characteristics of each MST. Moreover, the local metrics of degree and betweenness centrality were used to detect hubs, i.e., nodes with high importance. The computed set of metrics gave rise to extensive statistical analysis in order to examine differences between low and high-IQ groups, as well as between all possible gender-based group combinations. Our

  9. Acoustic excitations in glassy sorbitol and their relation with the fragility and the boson peak

    Ruta, B.; Baldi, G.; Scarponi, F.; Fioretto, D.; Giordano, V. M.; Monaco, G.

    2012-12-01

    We report a detailed analysis of the dynamic structure factor of glassy sorbitol by using inelastic X-ray scattering and previously measured light scattering data [B. Ruta, G. Monaco, F. Scarponi, and D. Fioretto, Philos. Mag. 88, 3939 (2008), 10.1080/14786430802317586]. The thus obtained knowledge on the density-density fluctuations at both the mesoscopic and macroscopic length scale has been used to address two debated topics concerning the vibrational properties of glasses. The relation between the acoustic modes and the universal boson peak (BP) appearing in the vibrational density of states of glasses has been investigated, also in relation with some recent theoretical models. Moreover, the connection between the elastic properties of glasses and the slowing down of the structural relaxation process in supercooled liquids has been scrutinized. For what concerns the first issue, it is here shown that the wave vector dependence of the acoustic excitations can be used, in sorbitol, to quantitatively reproduce the shape of the boson peak, supporting the relation between BP and acoustic modes. For what concerns the second issue, a proper study of elasticity over a wide spatial range is shown to be fundamental in order to investigate the relation between elastic properties and the slowing down of the dynamics in the corresponding supercooled liquid phase.

  10. Ideal solution behaviour of glassy Cu–Ti, Zr, Hf alloys and properties of amorphous copper

    Ristić, R.; Cooper, J.R.; Zadro, K.; Pajić, D.; Ivkov, J.; Babić, E.

    2015-01-01

    Highlights: • Ideal solution behaviour (ISB) is established in all Cu–Ti, Zr, Hf glassy alloys. • ISB enables reliable estimates for various properties of amorphous Cu. • ISB also impacts glass forming ability in these and probably other similar alloys. - Abstract: A comprehensive study of selected properties of amorphous (a) Cu–TE alloys (TE = Ti, Zr and Hf) has been performed. Data for average atomic volumes of a-Cu–Hf, Ti alloys combined with literature data show that ideal solution behaviour (Vegard’s law) extends over the whole glass forming range (GFR) in all a-Cu–TE alloys. This enables one to obtain an insight into some properties and probable atomic arrangements for both, a-TEs (Ristić et al., 2010) and a-Cu by extrapolation of the data for alloys. Indeed the atomic volumes and other properties studied for all a-Cu–TE alloys extrapolate to the same values for a-Cu. Depending on the property, these values are either close to those of crystalline (c) Cu, or are close to those for liquid (L) Cu. In particular, the electronic transport properties of a-Cu seem close to those of L-Cu, whereas the static properties, such as the density of states, and Young’s modulus, converge to those of c-Cu. The possible impact of these results on our understanding of a-Cu–TE alloys, including glass forming ability, is discussed

  11. Emergence of Griffiths phase and glassy mixed phase in Sm0.5Ca0.5MnO3 nanomanganites

    Giri, S.K.; Yusuf, S.M.; Mukadam, M.D.; Nath, T.K.

    2014-01-01

    Graphical abstract: A detailed investigation on the effect of grain size on formation of Griffiths phase, and glassy mixed phase in CE-type antiferromagnetic Sm 0.5 Ca 0.5 MnO 3 manganite are carried out. A rigorous measurement of linear and non-linear ac magnetic susceptibilities, time dependent relaxation and aging phenomena in Sm 0.5 Ca 0.5 MnO 3 nanomanganite confirm the existence of a glassy mixed phase in the low temperature regime. The signature of Griffiths phase in nanosized manganite has been confirmed from the detailed ac and dc magnetization studies. The existence of Griffiths phase is verified through the anomalous behavior of the low field temperature dependent an inverse ac and dc magnetic susceptibility. Based on experimental results, the glassy phase of nanomanganites has been attributed to the phase separation effect and interaction between the ferromagnetic clusters. A phenomenological core/shell model has also been proposed based on the surface disorder to explain the observed Griffiths phase in these nanosized manganites. Fig. 1: (Left) The plot of inverse of ac susceptibility χ ac -1 measured at f = 1 Hz and H ac = 2 Oe as a function of temperature for S750 sample. Inset shows the same for S550 sample. (Right) A schematic of the proposed model to describe the magnetic state of the Sm 0.5 Ca 0.5 MnO 3 system at different average sizes. Highlights: • Effect of grain size on Griffiths phase and glassy mixed phase is discussed. • GP is confirmed by dc, linear and non-linear ac magnetization in nanomanganites. • Glassy mixed phase is discussed by time dependent relaxation and aging phenomena. • The existence of GP is verified through an inverse ac and dc magnetic susceptibility. • A phenomenological core/shell model has been proposed based on surface disorder. -- Abstract: A detailed investigation on the effect of grain size on formation of Griffiths phase (GP), and glassy mixed phase in CE-type antiferromagnetic Sm 0.5 Ca 0.5 MnO 3

  12. Benchmarking state-of-the-art numerical simulation techniques for analyzing large photonic crystal membrane line defect cavities

    Gregersen, Niels; de Lasson, Jakob Rosenkrantz; Frandsen, Lars Hagedorn

    2018-01-01

    In this work, we perform numerical studies of two photonic crystal membrane microcavities, a short line-defect L5 cavity with relatively low quality (Q) factor and a longer L9 cavity with high Q. We compute the cavity Q factor and the resonance wavelength λ of the fundamental M1 mode in the two...

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

    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

  14. Electrochemical oxidation of butein at glassy carbon electrodes.

    Tesio, Alvaro Yamil; Robledo, Sebastián Noel; Fernández, Héctor; Zon, María Alicia

    2013-06-01

    The electrochemical oxidation of flavonoid butein is studied at glassy carbon electrodes in phosphate and citrate buffer solutions of different pH values, and 1M perchloric acid aqueous solutions by cyclic and square wave voltammetries. The oxidation peak corresponds to the 2e(-), 2H(+) oxidation of the 3,4-dihydroxy group in B ring of butein, given the corresponding quinone species. The overall electrode process shows a quasi-reversible behavior and an adsorption/diffusion mixed control at high butein bulk concentrations. At low butein concentrations, the electrode process shows mainly an adsorption control. Butein surface concentration values were obtained from the charge associated with the adsorbed butein oxidation peaks, which are in agreement with those values expected for the formation of a monolayer of adsorbate in the concentration range from 1 to 5μM. Square wave voltammetry was used to perform a full thermodynamic and kinetics characterization of the butein surface redox couple. Therefore, from the combination of the "quasi-reversible maximum" and the "splitting of the net square wave voltammetric peak" methods, values of (0.386±0.003) V, (0.46±0.04), and 2.7×10(2)s(-1) were calculated for the formal potential, the anodic transfer coefficient, and the formal rate constant, respectively, of the butein overall surface redox process in pH4.00 citrate buffer solutions. These results will be then used to study the interaction of butein, and other flavonoids with the deoxyribonucleic acid, in order to better understand the potential therapeutic applications of these compounds. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Semiempirical equations for modeling solid-state kinetics based on a Maxwell-Boltzmann distribution of activation energies: applications to a polymorphic transformation under crystallization slurry conditions and to the thermal decomposition of AgMnO4 crystals.

    Skrdla, Peter J; Robertson, Rebecca T

    2005-06-02

    Many solid-state reactions and phase transformations performed under isothermal conditions give rise to asymmetric, sigmoidally shaped conversion-time (x-t) profiles. The mathematical treatment of such curves, as well as their physical interpretation, is often challenging. In this work, the functional form of a Maxwell-Boltzmann (M-B) distribution is used to describe the distribution of activation energies for the reagent solids, which, when coupled with an integrated first-order rate expression, yields a novel semiempirical equation that may offer better success in the modeling of solid-state kinetics. In this approach, the Arrhenius equation is used to relate the distribution of activation energies to a corresponding distribution of rate constants for the individual molecules in the reagent solids. This distribution of molecular rate constants is then correlated to the (observable) reaction time in the derivation of the model equation. In addition to providing a versatile treatment for asymmetric, sigmoidal reaction curves, another key advantage of our equation over other models is that the start time of conversion is uniquely defined at t = 0. We demonstrate the ability of our simple, two-parameter equation to successfully model the experimental x-t data for the polymorphic transformation of a pharmaceutical compound under crystallization slurry (i.e., heterogeneous) conditions. Additionally, we use a modification of this equation to model the kinetics of a historically significant, homogeneous solid-state reaction: the thermal decomposition of AgMnO4 crystals. The potential broad applicability of our statistical (i.e., dispersive) kinetic approach makes it a potentially attractive alternative to existing models/approaches.

  16. Expression, purification, crystallization and X-ray crystallographic studies of different redox states of the active site of thioredoxin 1 from the whiteleg shrimp Litopenaeus vannamei

    Campos-Acevedo, Adam A.; Garcia-Orozco, Karina D.; Sotelo-Mundo, Rogerio R.; Rudiño-Piñera, Enrique

    2013-01-01

    Analysis of the different redox states of the catalytic cysteines in four crystallographic structures of thioredoxin 1 from the Pacific whiteleg shrimp L. vannamei highlights their reactivity and corroborates the existence of a structural dimer mediated by an interface of 12 residues which includes a disulfide bridge between the Cys73 residues of each monomer. Thioredoxin (Trx) is a 12 kDa cellular redox protein that belongs to a family of small redox proteins which undergo reversible oxidation to produce a cystine disulfide bond through the transfer of reducing equivalents from the catalytic site cysteine residues (Cys32 and Cys35) to a disulfide substrate. In this study, crystals of thioredoxin 1 from the Pacific whiteleg shrimp Litopenaeus vannamei (LvTrx) were successfully obtained. One data set was collected from each of four crystals at 100 K and the three-dimensional structures of the catalytic cysteines in different redox states were determined: reduced and oxidized forms at 2.00 Å resolution using data collected at a synchrotron-radiation source and two partially reduced structures at 1.54 and 1.88 Å resolution using data collected using an in-house source. All of the crystals belonged to space group P3 2 12, with unit-cell parameters a = 57.5 (4), b = 57.5 (4), c = 118.1 (8) Å. The asymmetric unit contains two subunits of LvTrx, with a Matthews coefficient (V M ) of 2.31 Å 3 Da −1 and a solvent content of 46%. Initial phases were determined by molecular replacement using the crystallographic model of Trx from Drosophila melanogaster as a template. In the present work, LvTrx was overexpressed in Escherichia coli, purified and crystallized. Structural analysis of the different redox states at the Trx active site highlights its reactivity and corroborates the existence of a dimer in the crystal. In the crystallographic structures the dimer is stabilized by several interactions, including a disulfide bridge between Cys73 of each LvTrx monomer, a

  17. Fabrication and nano-imprintabilities of Zr-, Pd- and Cu-based glassy alloy thin films

    Takenaka, Kana; Saidoh, Noriko; Nishiyama, Nobuyuki; Inoue, Akihisa

    2011-01-01

    With the aim of investigating nano-imprintability of glassy alloys in a film form, Zr 49 Al 11 Ni 8 Cu 32 , Pd 39 Cu 29 Ni 13 P 19 and Cu 38 Zr 47 Al 9 Ag 6 glassy alloy thin films were fabricated on Si substrate by a magnetron sputtering method. These films exhibit a very smooth surface, a distinct glass transition phenomenon and a large supercooled liquid region of about 80 K, which are suitable for imprinting materials. Moreover, thermal nano-imprintability of these obtained films is demonstrated by using a dot array mold with a dot diameter of 90 nm. Surface observations revealed that periodic nano-hole arrays with a hole diameter of 90 nm were successfully imprinted on the surface of these films. Among them, Pd-based glassy alloy thin film indicated more precise pattern imprintability, namely, flatter residual surface plane and sharper hole edge. It is said that these glassy alloy thin films, especially Pd-based glassy alloy thin film, are one of the promising materials for fabricating micro-machines and nano-devices by thermal imprinting.

  18. Diffusion coefficients of tracers in glassy polymer systems prepared by gamma radiolysis

    Tonge, M.P.; Gilbert, R.G.

    1996-01-01

    Diffusion-controlled reactions are common in free radical polymerisation reactions, especially in glassy polymer matrices. Such reactions commonly have an important influence on the polymerisation process and final polymer properties. For example, the dominant growth-stopping event (bimolecular termination) is generally diffusion-controlled. In glassy polymer systems, where molecular mobility is very low, the chain growth mechanism (propagation) may become diffusion-controlled. At present, the mechanism for propagation in glassy polymers is poorly understood, but it is expected by the Smoluchowski expression applied to propagation to depend strongly on the diffusion coefficient of monomer. The objective of this study is to measure reliable diffusion coefficients of small tracer molecules in glassy polymers, and compare these with propagation rate coefficients in similar systems, by the prediction above. Samples were initially prepared in a sealed sampled cell containing monomer, inert diluent, and tracer dye. After irradiation for several days, complete conversion of monomer to polymer can be obtained. The diffusion coefficients for two tracer dyes have been measured as a function of weight fraction polymer glassy poly(methyl methacrylate) samples

  19. A nanoscale characterisation of extended defects in glassy-like As2Se3 semiconductors with PAL technique

    Shpotyuk, O.; Kovalskiy, A.; Filipecki, J.; Hyla, M.; Kozdras, A.

    2003-01-01

    A meaningful interpretation of positron lifetime characteristics for glassy-like g-As 2 Se 3 is developed taking into account calculations of Jensen et al. (J. Non-Cryst. Solids 170 (1994) 57) for positrons trapped by free-volume extended defects in orthorhombic As 2 Se 3 and void volume distribution for 146-atoms layer-biased model of amorphous As 2 Se 3 presented by Popescu (J. Non-Cryst. Solids 35-36 (1980) 549). The obtained results are compared for samples having different thermal pre-history. Two groups of experimental results with close lifetime characteristics are distinguished for each of the investigated samples. This feature is explained in terms of average positron lifetime by applying two-state positron trapping model for mathematical treatment of the obtained spectra

  20. Supercooled and glassy water: Metastable liquid(s), amorphous solid(s), and a no-man's land

    Handle, Philip H.; Loerting, Thomas; Sciortino, Francesco

    2017-12-01

    We review the recent research on supercooled and glassy water, focusing on the possible origins of its complex behavior. We stress the central role played by the strong directionality of the water-water interaction and by the competition between local energy, local entropy, and local density. In this context we discuss the phenomenon of polyamorphism (i.e., the existence of more than one disordered solid state), emphasizing both the role of the preparation protocols and the transformation between the different disordered ices. Finally, we present the ongoing debate on the possibility of linking polyamorphism with a liquid-liquid transition that could take place in the no-man's land, the temperature-pressure window in which homogeneous nucleation prevents the investigation of water in its metastable liquid form.

  1. Trapped electron decay by the thermally-assisted tunnelling to electron acceptors in glassy matrices. A computer simulation study

    Feret, B.; Bartczak, W.M.; Kroh, J.

    1991-01-01

    The Redi-Hopefield quantum mechanical model of the thermally-assisted electron transfer has been applied to simulate the decay of trapped electrons by tunnelling to electron acceptor molecules added to the glassy matrix. It was assumed that the electron energy levels in donors and acceptors are statistically distributed and the electron excess energy after transfer is dissipated in the medium by the electron-phonon coupling. The electron decay curves were obtained by the method of computer simulation. It was found that for a given medium there exists a certain preferred value of the electronic excess energy which can be effectively converted into the matrix vibrations. If the mismatch of the electron states on the donor and acceptor coincides with the ''resonance'' energy the overall kinetics of electron transfer is accelerated. (author)

  2. Electric resistivity and thermoelectricity of Ni-Nb-Zr and Ni-Nb-Zr-H glassy alloys

    Fukuhara, Mikio; Inoue, Akihisa

    2010-09-01

    Electric resistivity ρ and thermoelectric power S of Ni 36Nb 24Zr 40 and (Ni 0.36Nb 0.24Zr 0.4) 90H 10 glassy alloys were investigated in temperature region between 1.5 and 300 K. After resistivity curves of both alloys increase gradually with decreasing temperature down to around 6 K, they dropped suddenly and then reached zero resistivity at 2.1 K, leading to superconductivity. Linear curve with negative TCR of ρ vs T2 and slight increase of S/ T in temperature region down to around 6 K clearly reveal Fermi-liquid phenomenon in electronic state for both alloys independent of hydrogen content.

  3. Electric resistivity and thermoelectricity of Ni-Nb-Zr and Ni-Nb-Zr-H glassy alloys

    Fukuhara, Mikio; Inoue, Akihisa

    2010-01-01

    Electric resistivity ρ and thermoelectric power S of Ni 36 Nb 24 Zr 40 and (Ni 0.36 Nb 0.24 Zr 0.4 ) 90 H 10 glassy alloys were investigated in temperature region between 1.5 and 300 K. After resistivity curves of both alloys increase gradually with decreasing temperature down to around 6 K, they dropped suddenly and then reached zero resistivity at 2.1 K, leading to superconductivity. Linear curve with negative TCR of ρ vs T 2 and slight increase of S/T in temperature region down to around 6 K clearly reveal Fermi-liquid phenomenon in electronic state for both alloys independent of hydrogen content.

  4. Understanding the Composition Dependence of the Fragility of AgI-Ag2O-MxOy Glassy Systems

    Aniya, M

    2011-01-01

    It has been reported that the fragility in the AgI-Ag 2 O-M x O y (M = B, Ge, P, Mo) system is determined by Ag 2 O-M x O y and does not depend on the amount of AgI. This is an interesting result and provides a hint to understand the nature of the glassy state of these materials. However, the origin of such behavior has not been sufficiently discussed. In the present report a model for the above behavior is presented. According to the model, the behavior arises from the solid like nature of the network formed by Ag 2 O-M x O y and the liquid like AgI which flow between the networks. The model is consistent with the structural model of superionic glasses proposed previously.

  5. The influence of the coexistence of ferroelectric and antiferroelectric states on the lead lanthanum zirconate titanate crystal structure

    Ishchuk, V M; Baumer, V N; Sobolev, V L

    2005-01-01

    We present results of detailed investigation of the crystal structure of Pb 1-3x/2 La x (Zr 1-y Ti y )O 3 solid solutions. In this letter our attention is concentrated on the series of solid solutions with x = 6% usually referred to as relaxor ferroelectrics. We have established the reasons for the non-cubic crystal structure of these solid solutions at the temperatures below T C . It is demonstrated that the peculiarities of the properties of Pb 1-3x/2 La x (Zr 1-y Ti y )O 3 depend on the position of a particular solid solution with respect to the hysteresis ferroelectric-antiferroelectric region in the 'Ti-content-temperature' phase diagram. (letter to the editor)

  6. A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

    Su Xiaoxing; Wang Yuesheng

    2010-01-01

    In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

  7. A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

    Su Xiaoxing, E-mail: xxsu@bjtu.edu.c [School of Electronic and Information Engineering, Beijing Jiaotong University, Beijing 100044 (China); Wang Yuesheng [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China)

    2010-09-01

    In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

  8. Steady-state and time-resolved spectroscopic investigations on intramolecular electron transfer processes within a synthesized methoxynaphthalene dyad by using a nematic liquid crystal medium

    Bardhan, Munmun; Mandal, Paulami; De, Asish; Kumar De, Avijit; Chowdhury, Joydeep; Ganguly, Tapan

    2010-01-01

    UV-vis, steady state and time-resolved spectroscopic investigations were made on photoinduced charge separation and thermal charge recombination processes involved within a novel synthesized dyad, 1-(4-chloro-phenyl)-3-(4-methoxy-naphthalen-1-yl)-propenone (MNCA) where the donor 1-methoxynaphthalene (MNT) and the acceptor p-choloroacetophenone (PCA) moieties are connected by a short unsaturated olefinic bond. The measurements were made within the pseudo-ordered domain (just above nematic-isotropic (N-I) phase transition temperature, >308 K) of a nematic liquid crystal, 4-(n-pentyl)-4'-cyanobiphenyl (5CB). Results observed are compared with those obtained from the similar measurements in isotropic media. The charge separation and recombination rates remain more-or-less unchanged within the experimental error irrespective of the polarity of the environment, whether in pseudo-ordered domain (ε S ∼10.5) of a nematic liquid crystal 5CB or in highly polar isotropic medium ACN (ε S ∼37.5). The structural rigidity of the dyad MNCA having stable elongated form both in the ground as well as in the photoexcited states seems to be the reason for this unique behavior of solvent insensitivity. The theoretical predictions done by ab initio method density functional theory (DFT) with B3LYP/6-311 G (d, p) basis function correlate well with experimental observations of formations of only one stable elongated (E-type) conformer both in the ground and electronic excited state.

  9. LT-STM/STS observation of definite superconducting gap states on the multistage crystal surface of Bi2Sr2CaCu2O8+x

    Murakami, Hironaru; Aoki, Ryozo

    1996-01-01

    Low temperature STM/STS observations have been carried out on cleaved BSCCO crystal surfaces. The authors have succeeded in detection of a special layer, probably a CuO 2 or Ca layer exposed on the surface. The STS spectrum which was reproducibly observed on this special site shows a considerably anisotropic but distinct superconducting gap structure with a definite and flat gap bottom region. This gap structure shows significantly different characteristic from another gap structure observed on the BiO layer, which shows a rounded shape at the gap bottom region without any indication of a finite gap state

  10. Reciprocal-Space Engineering of Quasi-Bound States in the Continuum in Photonic Crystal Slabs for High-Q Microcavities

    Chung, Il-Sug; Taghizadeh, Alireza

    2017-01-01

    The bound states in the continuum (BICs) in photonic crystal (PhC) slabs presume infinite periodicity in the inplane direction. Thus, a large number of unit cells are typically required to implement the BICs with a high quality (Q) factor. Here, we report on a method to engineer the reciprocal......-space properties of BICs, which enables to keep the effect of the BIC phenomenon strong even for a microcavity of a few unit cells. For example, based on this method, a 3D microcavity of 4 unit cells can attain a Q factor of 18k. This allows for various BIC studies in a very compact platform, as well as novel...

  11. Seebeck and Nernst effects in the mixed state of YBa2Cu3Oy single crystals: A probe for the scattering rate of quasiparticles

    Sato, Y.; Terasaki, I.; Tajima, S.

    1996-01-01

    Transport properties under a temperature gradient were investigated in the mixed state of YBa 2 Cu 3 O y single crystals. The ratio of the Seebeck coefficient S xx to the resistivity ρ xx , which is proportional to the thermal current, exhibits a remarkable magnetic field dependence. This implies that the quasiparticles driven by the temperature gradient are scattered by vortices to reduce their lifetime. Quantitative investigation for the H dependence of S xx /ρ xx reveals the lifetime enhancement of the quasiparticle below T c . copyright 1996 The American Physical Society

  12. Relation between time-temperature transformation and continuous heating transformation diagrams of metallic glassy alloys

    Louzguine-Luzgin, Dmitri V.; Inoue, Akihisa

    2005-01-01

    The time-temperature transformation (TTT) diagrams for the onset of devitrification of the Ge-Ni-La and Cu-Hf-Ti glassy alloys were calculated from the isothermal differential calorimetry data using an Arrhenius equation. The continuous heating transformation (CHT) diagrams for the onset of devitrification of the glassy alloys were subsequently recalculated from TTT diagrams. The recalculation method used for conversion of the TTT into CHT diagrams produces reasonable results and is not sensitive to the type of the devitrification reaction (polymorphous or primary transformation). The diagrams allow to perform a comparison of the stabilities of glassy alloys on a long-term scale. The relationship between these diagrams is discussed

  13. Electrochemical functionalization of glassy carbon electrode by reduction of diazonium cations in protic ionic liquid

    Shul, Galyna; Ruiz, Carlos Alberto Castro; Rochefort, Dominic; Brooksby, Paula A.; Bélanger, Daniel

    2013-01-01

    Protic ionic liquid based on 2-methoxypyridine and trifluoroacetic acid was used as electrolyte for the functionalization of a glassy carbon electrode surface by electrochemical reduction of in situ generated 4-chlorobenzene diazonium and 4-nitrobenzene diazonium cations. The diazonium cations were synthesized in an electrochemical cell by reaction of the corresponding amines with NaNO 2 dissolved in protic ionic liquid. The resulting electrografted organic layers exhibit similar properties to those layers obtained by the derivatization from isolated diazonium salts dissolved in protic ionic liquid. Functionalized glassy carbon electrode surfaces were characterized by cyclic voltammetry, Fourier transform infrared and X-ray photoelectron spectroscopies. Atomic force microscopy thickness measurements revealed that, in our experimental conditions, the use of protic ionic liquid led to the formation of film with a thickness of about 1.5 nm. It is also demonstrated that the nitrobenzene chemisorbed on glassy carbon electrode or dissolved in protic ionic liquid undergoes electrochemical conversion to hydroxyaminobenzene

  14. Temporal disconnectivity of the energy landscape in glassy systems

    Lempesis, Nikolaos; Boulougouris, Georgios C.; Theodorou, Doros N.

    2013-03-01

    An alternative graphical representation of the potential energy landscape (PEL) has been developed and applied to a binary Lennard-Jones glassy system, providing insight into the unique topology of the system's potential energy hypersurface. With the help of this representation one is able to monitor the different explored basins of the PEL, as well as how - and mainly when - subsets of basins communicate with each other via transitions in such a way that details of the prior temporal history have been erased, i.e., local equilibration between the basins in each subset has been achieved. In this way, apart from detailed information about the structure of the PEL, the system's temporal evolution on the PEL is described. In order to gather all necessary information about the identities of two or more basins that are connected with each other, we consider two different approaches. The first one is based on consideration of the time needed for two basins to mutually equilibrate their populations according to the transition rate between them, in the absence of any effect induced by the rest of the landscape. The second approach is based on an analytical solution of the master equation that explicitly takes into account the entire explored landscape. It is shown that both approaches lead to the same result concerning the topology of the PEL and dynamical evolution on it. Moreover, a "temporal disconnectivity graph" is introduced to represent a lumped system stemming from the initial one. The lumped system is obtained via a specially designed algorithm [N. Lempesis, D. G. Tsalikis, G. C. Boulougouris, and D. N. Theodorou, J. Chem. Phys. 135, 204507 (2011), 10.1063/1.3663207]. The temporal disconnectivity graph provides useful information about both the lumped and the initial systems, including the definition of "metabasins" as collections of basins that communicate with each other via transitions that are fast relative to the observation time. Finally, the two examined

  15. Immobilization of DNA at Glassy Ccarbon Electrodes: A Critical Study of Adsorbed Layer

    G. A. Rivas

    2005-11-01

    Full Text Available In this work we present a critical study of the nucleic acid layer immobilized atglassy carbon electrodes. Different studies were performed in order to assess the nature of theinteraction between DNA and the electrode surface. The adsorption and electrooxidation of DNAdemonstrated to be highly dependent on the surface and nature of the glassy carbon electrode. TheDNA layer immobilized at a freshly polished glassy carbon electrode was very stable even afterapplying highly negative potentials. The electron transfer of potassium ferricyanide, catechol anddopamine at glassy carbon surfaces modified with thin (obtained by adsorption under controlledpotential conditions and thick (obtained by casting the glassy carbon surface with highly concentratedDNA solutions DNA layers was slower than that at the bare glassy carbon electrode, although thiseffect was dependent on the thickness of the layer and was not charge selective. Raman experimentsshowed an important decrease of the vibrational modes assigned to the nucleobases residues,suggesting a strong interaction of these residues with the electrode surface. The hybridization ofoligo(dG21 and oligo(dC21 was evaluated from the guanine oxidation signal and the reduction of theredox indicator Co(phen33+ . In both cases the chronopotentiometric response indicated that thecompromise of the bases in the interaction of DNA with the electrode surface is too strong, preventingfurther hybridization. In summary, glassy carbon is a useful electrode material to detect DNA in adirect and very sensitive way, but not to be used for the preparation of biorecognition layers by directadsorption of the probe sequence on the electrode surface for detecting the hybridization event.

  16. Effect of cellulose nanocrystals (CNC) on rheological and mechanical properties and crystallization behavior of PLA/CNC nanocomposites.

    Kamal, Musa R; Khoshkava, Vahid

    2015-06-05

    In earlier work, we reported that spray freeze drying of cellulose nanocrystals (CNC) yields porous agglomerate structures. On the other hand, the conventional spray dried CNC (CNCSD) and the freeze dried CNC (CNCFD) produce compact solid structures with very low porosity. As it is rather difficult to obtain direct microscopic evidence of the quality of dispersion of CNC in polymer nanocomposites, it was shown that supporting evidence of the quality and influence of dispersion in a polypropylene (PP)/CNC nanocomposite could be obtained by studying the rheological behavior, mechanical properties and crystallization characteristics of PP/CNC nanocomposites. In an effort to produce a sustainable, fully biosourced, biodegradable nanocomposite, this manuscript presents the results of a study of the rheological, mechanical and crystallization behavior of PLA/CNCSFD nanocomposites obtained by melt processing. The results are analyzed to determine CNC network formation, rheological percolation threshold concentrations, mechanical properties in the rubbery and glassy states, and the effect of CNCSFD on crystalline nucleation and crystallization rates of PLA. These results suggest that the porosity and network structure of CNCSFD agglomerates contribute significantly to good dispersion of CNC in the PLA matrix. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Electrochemical Determination of Caffeine Content in Ethiopian Coffee Samples Using Lignin Modified Glassy Carbon Electrode

    Amare, Meareg; Aklog, Senait

    2017-01-01

    Lignin film was deposited at the surface of glassy carbon electrode potentiostatically. In contrast to the unmodified glassy carbon electrode, an oxidative peak with an improved current and overpotential for caffeine at modified electrode showed catalytic activity of the modifier towards oxidation of caffeine. Linear dependence of peak current on caffeine concentration in the range 6 ? 10?6 to 100 ? 10?6?mol?L?1 with determination coefficient and method detection limit (LoD = 3?s/slope) of 0....

  18. SUPERNOVA SHOCK-WAVE-INDUCED CO-FORMATION OF GLASSY CARBON AND NANODIAMOND

    Stroud, Rhonda [Naval Research Laboratory, Washington, D.C.; Chisholm, Matthew F [ORNL; Heck, Phillipp [The Field Museum, Chicago, IL; Alexander, Conel [Carnegie Institution of Washington; Nittler, Larry [Carnegie Institution of Washington

    2011-01-01

    Nanodiamond (ND) was the first extrasolar dust phase to be identified in meteorites. However, the 2 nm average size of the NDs precludes isotopic analysis of individual particles, and thus their origin(s) remains controversial. Using electron microscopy with subnanometer resolution, we show that ND separates from the Allende and Murchison meteorites are actually a two-phase mixture of ND and glassy carbon. This phase mixture is likely the product of supernova shock-wave transformation of pre-formed organics in the interstellar medium (ISM). The glassy carbon ND mixture is also a plausible contributor to the 2175 extinction feature in the diffuse ISM.

  19. SUPERNOVA SHOCK-WAVE-INDUCED CO-FORMATION OF GLASSY CARBON AND NANODIAMOND

    Stroud, Rhonda M.; Chisholm, Matthew F.; Heck, Philipp R.; Alexander, Conel M. O'D.; Nittler, Larry R.

    2011-01-01

    Nanodiamond (ND) was the first extrasolar dust phase to be identified in meteorites. However, the 2 nm average size of the NDs precludes isotopic analysis of individual particles, and thus their origin(s) remains controversial. Using electron microscopy with subnanometer resolution, we show that ND separates from the Allende and Murchison meteorites are actually a two-phase mixture of ND and glassy carbon. This phase mixture is likely the product of supernova shock-wave transformation of pre-formed organics in the interstellar medium (ISM). The glassy carbon-ND mixture is also a plausible contributor to the 2175 A extinction feature in the diffuse ISM.

  20. Automation in biological crystallization.

    Stewart, Patrick Shaw; Mueller-Dieckmann, Jochen

    2014-06-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given.

  1. Effects of nymphal diet and adult feeding on allocation of resources to glassy-winged sharpshooter egg production

    The glassy-winged sharpshooter is an invasive insect capable of transmitting the bacterial pathogen Xylella fastidiosa. Pre-oviposition periods of laboratory reared glassy-winged sharpshooters are variable. Here, two questions were addressed: does nymphal diet affect pre-oviposition period and how d...

  2. Preface: Proceedings of the ESF Exploratory Workshop on Glassy Liquids under Pressure: Fundamentals and Applications (Ustroń, Poland, 10-12 October 2007) Proceedings of the ESF Exploratory Workshop on Glassy Liquids under Pressure: Fundamentals and Applications (Ustroń, Poland, 10-12 October 2007)

    Drozd-Rzoska, Aleksandra; Rzoska, Sylwester J.; Tamarit, Josep Ll

    2008-06-01

    that the dynamics of (canonical) glasses is almost completely controlled by orientational degrees of freedom 34 and thus, vitrifying orientationally disordered crystals can yield materials with a reduction of complexity. This can be important for reaching a better insight into the glass state and vitrification in general. The European Science Foundation Exploratory Workshop (ESF EW) is a brainstorming panel for the best specialists in the given field of science. Participants of the ESF EW 'Glassy Liquids Under Pressure' arrived at the Institute of Physics, the Silesian University, Katowice, Poland on 10 October 2007. Katowice is the capital of Upper Silesia and of the metropolitan area of Silesia (population ≈ 4 000 000)—the most industrial area of Poland. The conference coach took participants to the Jaskółka Hotel in Ustroń, a tourist resort situated in the beautiful valley at the foot of the Beskidy mountains (a part of West Carpaty), 80 km south from Katowice. The picturesque surroundings together with the delicious local cuisine created a stimulating atmosphere for the three days of lectures and discussions. References [1] Turnbull D 1969 Under what criterion the glass can be formed Contemp. Phys.10 3473 [2] Drozd-Rzoska A, Rzoska S J and Imre A R 2007 On the pressure evolution of the melting temperature and the glass transition temperature J. Non-Cryst. Solids 353 3915 [3]Donth E 1998 The Glass Transition. Relaxation Dynamics in Liquids and Disordered Materials(Springer Series in Materials Science II vol 48) (Berlin: Springer) [4] Johari G P and Goldstein M 1971 Viscous liquids and the glass transition in aliphatic alcohols and other norigid molecules J. Chem. Phys. 55 4245 [5] Roland C M and Casalini R 2004 Viscosity crossover in 0-therphenyl and salol under high pressure Phys. Rev. Lett.92 245702 [6] Novikov V N and Sokolov A P 2003 Universality of the dynamic crossover in glass-forming liquids: A 'magic' relaxation time Phys. Rev. E 67 031507 [7

  3. Elastic flux creep in the mixed state of superconducting L2-xCexCuO4 single crystals

    Crusellas, M.A.; Fabrega, L.; Fontcuberta, J.; Martinez, B.; Obradors, X.; Pinol, S.

    1994-01-01

    We have performed measurements of the I-V characteristics and magnetic relaxation on L 2-x Ce x CuO 4 (L = Pr, Sm) superconducting single crystals (H//c), well below the critical temperature (T c ∼ 20 K). From both sets of data we have determined the current dependence of the effective flux creep energy barriers. An U(J) ∼-1nJ has been clearly identified in a region of the (H,T) plane. The relevance of the elastic properties of the vortex system on the flux creep energies is discussed. (orig.)

  4. Detection of dopamine in non-treated urine samples using glassy carbon electrodes modified with PAMAM dendrimer-Pt composites

    Garcia, M.G.; Armendariz, G.M.E.; Godinez, Luis A.; Torres, J.; Sepulveda-Guzman, S.; Bustos, E.

    2011-01-01

    Composites of hydroxyl-terminated PAMAM dendrimers, generation 4.0 (64 peripheral OH groups) containing Pt nanoparticles were synthesized at different reaction times using a microwave reactor. The synthetic procedure resulted in dendrimer encapsulated nanoparticles of Pt (DENs-Pt) of 1.53 ± 0.17 nm diameter that was calculated from transmission electron microscopy, and the Pt nanoparticles had single crystal plane in (1 1 1) orientation determinate by selective area diffraction. Each composite was electrochemically immobilized on a pre-functionalized glassy carbon (GC) electrode that was incorporated as a flow injection amperometric (FIA) detector, for the selective detection and quantification of dopamine (DA) in untreated urine samples. Comparison of the analytical performance of the novel electrochemical detector revealed that the DENs-Pt modified GC electrode with the composite synthesized for 30 min in the microwave reactor, showed the best response for the detection of DA in samples of non-treated urine, being the detection and quantification limits smaller (19 and 9 ppb, respectively) than those corresponding to the naked a GC electrode (846 and 423 ppb, respectively) using the FIA detector. In addition, it was found that this electroanalytical approach suffers minimal matrix effects that arise in the analysis of DA in untreated samples of urine.

  5. Detection of dopamine in non-treated urine samples using glassy carbon electrodes modified with PAMAM dendrimer-Pt composites

    Garcia, M.G. [Laboratory of Bioelectrochemistry, Centro de Investigacion y Desarrollo Tecnologico en Electroquimica, S. C., Parque Tecnologico, Queretaro, Sanfandila, Pedro Escobedo 76703, Queretaro (Mexico); Department of Chemistry, Universidad de Guanajuato, Cerro de la Venada S/N Col. Pueblito de Rocha, 36040 Guanajuato, Gto (Mexico); Armendariz, G.M.E.; Godinez, Luis A.; Torres, J. [Laboratory of Bioelectrochemistry, Centro de Investigacion y Desarrollo Tecnologico en Electroquimica, S. C., Parque Tecnologico, Queretaro, Sanfandila, Pedro Escobedo 76703, Queretaro (Mexico); Sepulveda-Guzman, S. [Centro de Innovacion, Investigacion y Desarrollo en Ingenieria y Tecnologia, Facultad de Ingenieria Mecanica y Electrica, Universidad Autonoma de Nuevo Leon, Av. Universidad, San Nicolas de los Garza, Nuevo Leon, 66451 Nuevo Leon (Mexico); Bustos, E., E-mail: ebustos@cideteq.mx [Laboratory of Bioelectrochemistry, Centro de Investigacion y Desarrollo Tecnologico en Electroquimica, S. C., Parque Tecnologico, Queretaro, Sanfandila, Pedro Escobedo 76703, Queretaro (Mexico)

    2011-09-01

    Composites of hydroxyl-terminated PAMAM dendrimers, generation 4.0 (64 peripheral OH groups) containing Pt nanoparticles were synthesized at different reaction times using a microwave reactor. The synthetic procedure resulted in dendrimer encapsulated nanoparticles of Pt (DENs-Pt) of 1.53 {+-} 0.17 nm diameter that was calculated from transmission electron microscopy, and the Pt nanoparticles had single crystal plane in (1 1 1) orientation determinate by selective area diffraction. Each composite was electrochemically immobilized on a pre-functionalized glassy carbon (GC) electrode that was incorporated as a flow injection amperometric (FIA) detector, for the selective detection and quantification of dopamine (DA) in untreated urine samples. Comparison of the analytical performance of the novel electrochemical detector revealed that the DENs-Pt modified GC electrode with the composite synthesized for 30 min in the microwave reactor, showed the best response for the detection of DA in samples of non-treated urine, being the detection and quantification limits smaller (19 and 9 ppb, respectively) than those corresponding to the naked a GC electrode (846 and 423 ppb, respectively) using the FIA detector. In addition, it was found that this electroanalytical approach suffers minimal matrix effects that arise in the analysis of DA in untreated samples of urine.

  6. Semi-analytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper

    2015-01-01

    We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, ......-trivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.......We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained......, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities a non...

  7. Effect of gas-liquid-crystal transitions in oxygen clusters on electric and magnetic activity of localized states in In2O3-SrO ceramic

    Okunev, V. D.; Szymczak, R.; Szymczak, H.; Aleshkevych, P.; Glot, A. B.; Bondarchuk, A. N.

    2015-10-01

    It has been shown that the overlap of tails of the density of states of the valence and conduction bands leads to the formation of a "negative" gap in the In2O3-SrO ceramic with disordered structure and oxygen clusters in nanovoids. Two types of magnetism are observed. One of them caused by the formation of (dangling bond + O- 2 center) complexes has been found in samples saturated with oxygen. The other is associated with the presence of dangling bonds in oxygen-depleted samples. At T conductivity of samples. The effects caused by magnetic phase transitions in clusters of crystal oxygen are manifested at T < 54.8 K. The variations of the resistance of samples in the interval T = 5-300 K correspond to Mott's law under the dependence of the local activation energy for electron hopping on the state of oxygen clusters.

  8. Crystals in crystals

    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...

  9. Proton nuclear magnetic resonance studies of hydrogen diffusion and electron tunneling in Ni-Nb-Zr-H glassy alloys

    Niki, Haruo; Okuda, Hiroyuki; Oshiro, Morihito; Yogi, Mamoru [Department of Physics, Faculty of Science, University of the Ryukyus, Nishihara, Okinawa 903-0213 (Japan); Seki, Ichiro; Fukuhara, Mikio [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2012-06-15

    Using the Fourier transform of the echo envelope, the proton line shapes, spin-lattice relaxation time, and spin-spin relaxation time have been measured in a (Ni{sub 0.36}Nb{sub 0.24}Zr{sub 0.40}){sub 90}H{sub 10} glassy alloy at 1.83 T ({approx}78 MHz) and at temperatures between 1.8 and 300 K. First, the spectral line width decreases abruptly between 1.8 and 2.1 K. Next, it remains almost constant at 13 kHz up to {approx}150 K. Finally, the line width decreases as the temperature increases from {approx}150 to 300 K. The initial decrease in the spectral line width is ascribed to the distribution of the external field, which is caused by the penetration of vortices in the superconducting state. The subsequent leveling off in the spectral line width is ascribed to the dipole-dipole interaction between protons when hydrogen atoms are trapped into vacancies among the Zr-centered icosahedral Zr{sub 5}Ni{sub 5}Nb{sub 3} clusters. The final decrease in the spectral line width is ascribed to the motional narrowing of the width that is caused by the movement of hydrogen atoms. The temperature dependences of the spin-lattice and spin-spin relaxation time showed that at temperature above 150 K and the activation energy of 8.7 kJ/mol allowed the hydrogen atoms to migrate among the clusters. The distance between the hydrogen atoms is estimated to be 2.75 A. Hydrogen occupancies among clusters in the (Ni{sub 0.36}Nb{sub 0.24}Zr{sub 0.40}){sub 90}H{sub 10} glassy alloy play an important role in the diffusion behavior and in the electronic properties of this alloy.

  10. Functionalization of glassy carbon surface by means of aliphatic and aromatic amino acids. An experimental and theoretical integrated approach

    Vanossi, Davide; Benassi, Rois; Parenti, Francesca; Tassinari, Francesco; Giovanardi, Roberto; Florini, Nicola; De Renzi, Valentina; Arnaud, Gaelle; Fontanesi, Claudio

    2012-01-01

    Highlights: ► Glassy carbon is functionalized via electrochemical assisted grafting of amino acids. ► The grafting mechanism is suggested to involve the “zwitterionic” species. ► DFT calculations allowed to determine the electroactive species. ► An original grafting mechanism is proposed. - Abstract: Glassy carbon (GC) electrode surfaces are functionalized through electrochemical assisted grafting, in oxidation regime, of six amino acids (AA): β-alanine (β-Ala), L-aspartic acid (Asp), 11-aminoundecanoic acid (UA), 4-aminobenzoic acid (PABA), 4-(4-amino-phenyl)-butyric acid (PFB), 3-(4-amino-phenyl)-propionic acid (PFP). Thus, a GC/AA interface is produced featuring carboxylic groups facing the solution. Electrochemical (cyclic voltammetry and electrochemical impedance spectroscopy) and XPS techniques are used to experimentally characterize the grafting process and the surface state. The theoretical results are compared with the experimental evidence to determine, at a molecular level, the overall grafting mechanism. Ionization potentials, standard oxidation potentials, HOMO and electron spin distributions are calculated at the CCD/6-31G* level of the theory. The comparison of experimental and theoretical data suggests that the main electroactive species is the “zwitterionic” form for the three aliphatic amino acids, while the amino acids featuring the amino group bound to the phenyl aromatic moiety show a different behaviour. The comparison between experimental and theoretical results suggests that both the neutral and the zwitterionic forms are present in the acetonitrile solution in the case of 4-(4-amino-phenyl)-butyric acid (PFB) and 3-(4-amino-phenyl)-propionic acid.

  11. Li ion transport in sputter deposited LiCoO{sub 2} thin films and glassy borate membranes

    Stockhoff, Tobias; Gallasch, Tobias; Schmitz, Guido [Westfaelische Wilhelms-Universitaet Muenster, Institut fuer Materialphysik, Muenster (Germany)

    2010-07-01

    LiCoO{sub 2} membranes are key components of current battery technology. We investigate sputter-deposited thin films of these materials aiming at the application in all-solid-state thin film batteries. For this, LiCoO{sub 2} films (10-200 nm) were deposited onto ITO-coated glass substrates by ion beam sputtering. In addition, a part of these films are coated by an ion-conductive membrane of Li{sub 2}O-B{sub 2}O{sub 3} glasses in the thickness range of 50 to 300 nm. Structural, chemical and electrical properties of the layers are studied by means of TEM(EELS) and various electrical methods (cyclic voltammetry, chrono-amperometry/-potentiometry). Since the color of the LiCoO{sub 2} films changes from red-brown to grey during de-intercalation of Li and the substrate as well as the glassy membrane deposited on top are optical transparent, reversible Li de- and intercalation can be directly demonstrated and quantified by a measurement of light transmission through the layered system. Samples coated with an ion-conductive membrane reveal a characteristic delay in switching optical transparency which is due to the slower transport across the membrane. Varying the thickness of the glassy membrane, the d.c. ion-conductivity and permeation through the membrane is determined quantitatively. Using thin membranes in the range of a few tens of nanometers the critical current densities are way sufficient for battery applications.

  12. Virtual Crystallizer

    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.

  13. single crystals

    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.

  14. Crystal Systems.

    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)

  15. Energy of charged states in the acetanilide crystal: Trapping of charge-transfer states at vacancies as a possible mechanism for optical damage

    Tsiaousis, D.; Munn, R. W.

    2004-04-01

    Calculations for the acetanilide crystal yield the effective polarizability (16.6 Å3), local electric field tensor, effective dipole moment (5.41 D), and dipole-dipole energy (-12.8 kJ/mol). Fourier-transform techniques are used to calculate the polarization energy P for a single charge in the perfect crystal (-1.16 eV); the charge-dipole energy WD is zero if the crystal carries no bulk dipole moment. Polarization energies for charge-transfer (CT) pairs combine with the Coulomb energy EC to give the screened Coulomb energy Escr; screening is nearly isotropic, with Escr≈EC/2.7. For CT pairs WD reduces to a term δWD arising from the interaction of the charge on each ion with the change in dipole moment on the other ion relative to the neutral molecule. The dipole moments calculated by density-functional theory methods with the B3LYP functional at the 6-311++G** level are 3.62 D for the neutral molecule, changing to 7.13 D and 4.38 D for the anion and cation, relative to the center of mass. Because of the large change in the anion, δWD reaches -0.9 eV and modifies the sequence of CT energies markedly from that of Escr, giving the lowest two CT pairs at -1.98 eV and -1.41 eV. The changes in P and WD near a vacancy are calculated; WD changes for the individual charges because the vacancy removes a dipole moment and modifies the crystal dielectric response, but δWD and EC do not change. A vacancy yields a positive change ΔP that scatters a charge or CT pair, but the change ΔWD can be negative and large enough to outweigh ΔP, yielding traps with depths that can exceed 150 meV for single charges and for CT pairs. Divacancies yield traps with depths nearly equal to the sum of those produced by the separate vacancies and so they can exceed 300 meV. These results are consistent with a mechanism of optical damage in which vacancies trap optically generated CT pairs that recombine and release energy; this can disrupt the lattice around the vacancy, thereby favoring

  16. Nano-structured Ni(II)-curcumin modified glassy carbon electrode for electrocatalytic oxidation of fructose

    Elahi, M. Yousef; Mousavi, M.F.; Ghasemi, S.

    2008-01-01

    A nano-structured Ni(II)-curcumin (curcumin: 1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dione) film is electrodeposited on a glassy carbon electrode in alkaline solution. The morphology of polyNi(II)-curcumin (NC) was investigated by scanning electron microscopy (SEM). The SEM results show NC has a nano-globular structure in the range 20-50 nm. Using cyclic voltammetry, linear sweep voltammetry, chronoamperometry, steady-state polarization measurements and electrochemical impedance spectroscopy (EIS) showed that the nano-structure NC film acts as an efficient material for the electrocatalytic oxidation of fructose. According to the voltammetric studies, the increase in the anodic peak current and subsequent decrease in the corresponding cathodic current, fructose was oxidized on the electrode surface via an electrocatalytic mechanism. The EIS results show that the charge-transfer resistance has as a function of fructose concentration, time interval and applied potential. The increase in the fructose concentration and time interval in fructose solution results in enhanced charge transfer resistance in Nyquist plots. The EIS results indicate that fructose electrooxidation at various potentials shows different impedance behaviors. At lower potentials, a semicircle is observed in the first quadrant of impedance plot. With further increase of the potential, a transition of the semicircle from the first to the second quadrant occurs. Also, the results obtained show that the rate of fructose electrooxidation depends on concentration of OH - . Electron transfer coefficient, diffusion coefficient and rate constant of the electrocatalytic oxidation reaction are obtained. The modified electrode was used as a sensor for determination of fructose with a good dynamic range and a low detection limit

  17. Fluorescence quenching studies of potential-dependent DNA reorientation dynamics at glassy carbon electrode surfaces.

    Li, Qin; Cui, Chenchen; Higgins, Daniel A; Li, Jun

    2012-09-05

    The potential-dependent reorientation dynamics of double-stranded DNA (ds-DNA) attached to planar glassy carbon electrode (GCE) surfaces were investigated. The orientation state of surface-bound ds-DNA was followed by monitoring the fluorescence from a 6-carboxyfluorescein (FAM6) fluorophore covalently linked to the distal end of the DNA. Positive potentials (i.e., +0.2 V vs open circuit potential, OCP) caused the ds-DNA to align parallel to the electrode surface, resulting in strong dipole-electrode quenching of FAM6 fluorescence. Switching of the GCE potential to negative values (i.e., -0.2 V vs OCP) caused the ds-DNA to reorient perpendicular to the electrode surface, with a concomitant increase in FAM6 fluorescence. In addition to the very fast (submilliseconds) dynamics of the initial reorientation process, slow (0.1-0.9 s) relaxation of FAM6 fluorescence to intermediate levels was also observed after potential switching. These dynamics have not been previously described in the literature. They are too slow to be explained by double layer charging, and chronoamperometry data showed no evidence of such effects. Both the amplitude and rate of the dynamics were found to depend upon buffer concentration, and ds-DNA length, demonstrating a dependence on the double layer field. The dynamics are concluded to arise from previously undetected complexities in the mechanism of potential-dependent ds-DNA reorientation. The possible origins of these dynamics are discussed. A better understanding of these dynamics will lead to improved models for potential-dependent ds-DNA reorientation at electrode surfaces and will facilitate the development of advanced electrochemical devices for detection of target DNAs.

  18. Optically Anomalous Crystals

    Shtukenberg, Alexander; Kahr, Bart

    2007-01-01

    Optical anomalies in crystals are puzzles that collectively constituted the greatest unsolved problems in crystallography in the 19th Century. The most common anomaly is a discrepancy between a crystal’s symmetry as determined by its shape or by X-ray analysis, and that determined by monitoring the polarization state of traversing light. These discrepancies were perceived as a great impediment to the development of the sciences of crystals on the basis of Curie’s Symmetry Principle, the grand organizing idea in the physical sciences to emerge in the latter half of the 19th Century. Optically Anomalous Crystals begins with an historical introduction covering the contributions of Brewster, Biot, Mallard, Brauns, Tamman, and many other distinguished crystallographers. From this follows a tutorial in crystal optics. Further chapters discuss the two main mechanisms of optical dissymmetry: 1. the piezo-optic effect, and 2. the kinetic ordering of atoms. The text then tackles complex, inhomogeneous crystals, and...

  19. Organic semiconductor crystals.

    Wang, Chengliang; Dong, Huanli; Jiang, Lang; Hu, Wenping

    2018-01-22

    Organic semiconductors have attracted a lot of attention since the discovery of highly doped conductive polymers, due to the potential application in field-effect transistors (OFETs), light-emitting diodes (OLEDs) and photovoltaic cells (OPVs). Single crystals of organic semiconductors are particularly intriguing because they are free of grain boundaries and have long-range periodic order as well as minimal traps and defects. Hence, organic semiconductor crystals provide a powerful tool for revealing the intrinsic properties, examining the structure-property relationships, demonstrating the important factors for high performance devices and uncovering fundamental physics in organic semiconductors. This review provides a comprehensive overview of the molecular packing, morphology and charge transport features of organic semiconductor crystals, the control of crystallization for achieving high quality crystals and the device physics in the three main applications. We hope that this comprehensive summary can give a clear picture of the state-of-art status and guide future work in this area.

  20. Dielectric relaxation in glassy Se75In25−xPbx alloys

    to their atomic percentages and were sealed in quartz ampoules (length ~5 cm and internal dia. ~8 mm) in vacuum ... samples were taken out by breaking the quartz ampoules. The glassy nature of the ... measured with the help of a calibrated copper–constantan thermocouple mounted very near to the sample, which could ...

  1. Statistics of energy levels and zero temperature dynamics for deterministic spin models with glassy behaviour

    Degli Esposti, M.; Giardinà, C.; Graffi, S.; Isola, S.

    2001-01-01

    We consider the zero-temperature dynamics for the infinite-range, non translation invariant one-dimensional spin model introduced by Marinari, Parisi and Ritort to generate glassy behaviour out of a deterministic interaction. It is argued that there can be a large number of metastable (i.e.,

  2. Egg maturation by the glassy-winged sharpshooter (Hemiptera: Cicadellidae); a vector of Xylella fastidiosa

    Rates of spread of insect-transmitted plant pathogens are a function of vector abundance. Despite this, factors affecting population growth rates of insects that transmit plant pathogens have received limited attention. The glassy-winged sharpshooter (Homalodisca vitripennis) feeds on xylem-sap and ...

  3. Modification of glassy carbon surfaces by atmospheric pressure cold plasma torch

    Mortensen, Henrik Junge; Kusano, Yukihiro; Leipold, Frank

    2006-01-01

    The effect of plasma treatment on glassy carbon (GC) surfaces was studied with adhesion improvement in mind. A newly constructed remote plasma source was used to treat GC plates. Pure He and a dilute NH3/He mixture were used as feed gases. Optical emission spectroscopy was performed for plasma to...

  4. Physical ageing in the above-bandgap photoexposured glassy arsenic selenides

    Kozdras, A [Faculty of Physics of Opole University of Technology, 75, Ozimska str., Opole, PL-45370 (Poland); Golovchak, R [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska str., Lviv, UA-79031 (Ukraine); Shpotyuk, O [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska str., Lviv, UA-79031 (Ukraine)

    2007-08-15

    Physical ageing induced by above-bandgap light illumination is studied in glassy As-Se using differential scanning calorimetry. It is shown that measurable effect like to known short-term physical ageing is observed only in Se-rich glasses. The kinetics of this effect is compared with that caused by natural storage in a dark.

  5. Physical ageing in the above-bandgap photoexposured glassy arsenic selenides

    Kozdras, A; Golovchak, R; Shpotyuk, O

    2007-01-01

    Physical ageing induced by above-bandgap light illumination is studied in glassy As-Se using differential scanning calorimetry. It is shown that measurable effect like to known short-term physical ageing is observed only in Se-rich glasses. The kinetics of this effect is compared with that caused by natural storage in a dark

  6. Co-based soft magnetic bulk glassy alloys optimized for glass ...

    diameter of 5 mm by conventional copper mould casting method. It reveals ... For example, Co43Fe20Ta5.5B31.5 glassy alloy with a ... coercive force (Hc) of 0.25 A m. −1 ..... [7] Lu Z P, Liu C T, Thompson J R and Porter W D 2004 Phys. Rev.

  7. Voltammetric pH sensing using carbon electrodes: glassy carbon behaves similarly to EPPG.

    Lu, Min; Compton, Richard G

    2014-09-21

    Developing and building on recent work based on a simple sensor for pH determination using unmodified edge plane pyrolytic graphite (EPPG) electrodes, we present a voltammetric method for pH determination using a bare unmodified glassy carbon (GC) electrode. By exploiting the pH sensitive nature of quinones present on carbon edge-plane like sites within the GC, we show how GC electrodes can be used to measure pH. The electro-reduction of surface quinone groups on the glassy carbon electrode was characterised using cyclic voltammetry (CV) and optimised with square-wave voltammetry (SWV) at 298 K and 310 K. At both temperatures, a linear correlation was observed, corresponding to a 2 electron, 2 proton Nernstian response over the aqueous pH range 1.0 to 13.1. As such, unmodified glassy carbon electrodes are seen to be pH dependent, and the Nernstian response suggests its facile use for pH sensing. Given the widespread use of glassy carbon electrodes in electroanalysis, the approach offers a method for the near-simultaneous measurement and monitoring of pH during such analyses.

  8. Playback of natural vibrational signals in vineyard trellis for mating disruption of glassy-winged sharpshooter

    The glassy-winged sharpshooter, Homalodisca vitripennis (Germar) (Hemiptera: Cicadellidae), is a vector of Xylella fastidiosa, an important bacterial pathogen of several crops in the Americas and Europe. Mating communication of this and many other cicadellid pests involves the exchange of substrate-...

  9. Cytochrome C Dynamics at Gold and Glassy Carbon Surfaces Monitored by in Situ Scanning Tunnel Microscopy

    Andersen, Jens Enevold Thaulov; Møller, Per; Pedersen, Marianne Vind

    1995-01-01

    We have investigated the absorption of cytochrome c on gold and glassy carbon substrates by in situ scanning tunnel microscopy under potentiostatic control of both substrate and tip. Low ionic strength and potential ranges where no Faradaic current flows were used. Cyt c aggregates into flat...

  10. Study of electrical properties of glassy Se100–xTex alloys

    Unknown

    can be successfully explained by correlated barrier hopping (CBH) model. ... The results show that bipolaron hopping dominates over single-polaron hopping in this glassy system. This .... where ∆E is the activation energy and σ0 is called the.

  11. Gas Permeation Related to the Moisture Sorption in Films of Glassy Hydrophilic Polymers

    Laksmana, F. L.; Kok, P. J. A. Hartman; Frijlink, H. W.; Vromans, H.; Maarschalk, K. Van Der Voort

    2010-01-01

    The purpose of this article is to elucidate the effect of integral sorption of moisture on gas permeation in glassy hydrophilic polymers. The oxygen and the simultaneous moisture sorption into various hydroxypropyl methylcellulose (HPMC) films were measured under a wide range of relative humidities

  12. Crystals in the LHC

    Antonella Del Rosso

    2012-01-01

    Bent crystals can be used to deflect charged particle beams. Their use in high-energy accelerators has been investigated for almost 40 years. Recently, a bent crystal was irradiated for the first time in the HiRadMat facility with an extreme particle flux, which crystals would have to withstand in the LHC. The results were very encouraging and confirmed that this technology could play a major role in increasing the beam collimation performance in future upgrades of the machine.   UA9 bent crystal tested with a laser. Charged particles interacting with a bent crystal can be trapped in channelling states and deflected by the atomic planes of the crystal lattice (see box). The use of bent crystals for beam manipulation in particle accelerators is a concept that has been well-assessed. Over the last three decades, a large number of experimental findings have contributed to furthering our knowledge and improving our ability to control crystal-particle interactions. In modern hadron colliders, su...

  13. Phase separation and structure formation in gadolinium based liquid and glassy metallic alloys

    Han, Junhee

    2014-01-01

    tailored both at microscopic and macroscopic length scales. This includes either droplet-like or interconnected microstructures at the microscopic level and glass-glass or glass-crystalline composites at the macroscopic level. Essential parameter for the quenched in microstructure is the temperature dependence of liquid-liquid phase separation, which is determined by the chemical composition of the alloy: on the one hand, earlier and/or later stages of spinodal decomposition or almost homogeneous glassy states are obtained if the critical temperature of miscibility gap T c is close to the glass transition temperature T g ; and on the one hand, coarsening and secondary precipitations of the liquids are obtained if T c is much higher than T g . Finally, the influence of the microstructure developed by phase separation on their magnetic properties had been investigated. The saturation magnetization σ S depends on the overall amount of Gd atoms in the alloys and is not remarkably affected by phase separation processes. The Curie temperature T Curie of the magnetic transition is influenced by the changed chemical composition of the Gd-rich glassy phases compared to that of monolithic Gd-Co-Al glasses.

  14. Steady-state and time-resolved spectroscopic investigations on intramolecular electron transfer processes within a synthesized methoxynaphthalene dyad by using a nematic liquid crystal medium

    Bardhan, Munmun; Mandal, Paulami; De, Asish; Kumar De, Avijit [Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, West Bengal (India); Chowdhury, Joydeep [Sammilani Mahavidyalaya Baghajatin Station, West Bengal (India); Ganguly, Tapan, E-mail: sptg@mahendra.iacs.res.i [Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, West Bengal (India)

    2010-06-15

    UV-vis, steady state and time-resolved spectroscopic investigations were made on photoinduced charge separation and thermal charge recombination processes involved within a novel synthesized dyad, 1-(4-chloro-phenyl)-3-(4-methoxy-naphthalen-1-yl)-propenone (MNCA) where the donor 1-methoxynaphthalene (MNT) and the acceptor p-choloroacetophenone (PCA) moieties are connected by a short unsaturated olefinic bond. The measurements were made within the pseudo-ordered domain (just above nematic-isotropic (N-I) phase transition temperature, >308 K) of a nematic liquid crystal, 4-(n-pentyl)-4'-cyanobiphenyl (5CB). Results observed are compared with those obtained from the similar measurements in isotropic media. The charge separation and recombination rates remain more-or-less unchanged within the experimental error irrespective of the polarity of the environment, whether in pseudo-ordered domain (epsilon{sub S}approx10.5) of a nematic liquid crystal 5CB or in highly polar isotropic medium ACN (epsilon{sub S}approx37.5). The structural rigidity of the dyad MNCA having stable elongated form both in the ground as well as in the photoexcited states seems to be the reason for this unique behavior of solvent insensitivity. The theoretical predictions done by ab initio method density functional theory (DFT) with B3LYP/6-311 G (d, p) basis function correlate well with experimental observations of formations of only one stable elongated (E-type) conformer both in the ground and electronic excited state.

  15. Monomial Crystals and Partition Crystals

    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. Code Optimization, Frozen Glassy Phase and Improved Decoding Algorithms for Low-Density Parity-Check Codes

    Huang Hai-Ping

    2015-01-01

    The statistical physics properties of low-density parity-check codes for the binary symmetric channel are investigated as a spin glass problem with multi-spin interactions and quenched random fields by the cavity method. By evaluating the entropy function at the Nishimori temperature, we find that irregular constructions with heterogeneous degree distribution of check (bit) nodes have higher decoding thresholds compared to regular counterparts with homogeneous degree distribution. We also show that the instability of the mean-field calculation takes place only after the entropy crisis, suggesting the presence of a frozen glassy phase at low temperatures. When no prior knowledge of channel noise is assumed (searching for the ground state), we find that a reinforced strategy on normal belief propagation will boost the decoding threshold to a higher value than the normal belief propagation. This value is close to the dynamical transition where all local search heuristics fail to identify the true message (codeword or the ferromagnetic state). After the dynamical transition, the number of metastable states with larger energy density (than the ferromagnetic state) becomes exponentially numerous. When the noise level of the transmission channel approaches the static transition point, there starts to exist exponentially numerous codewords sharing the identical ferromagnetic energy. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  17. Annealing effects on the migration of ion-implanted cadmium in glassy carbon

    Hlatshwayo, T.T., E-mail: thulani.hlatshwayo@up.ac.za [Physics Department, University of Pretoria, Pretoria (South Africa); Sebitla, L.D. [Physics Department, University of Pretoria, Pretoria (South Africa); Physics Department, University of Botswana, Gaborone (Botswana); Njoroge, E.G.; Mlambo, M.; Malherbe, J.B. [Physics Department, University of Pretoria, Pretoria (South Africa)

    2017-03-15

    The migration behaviour of cadmium (Cd) implanted into glassy carbon and the effects of annealing on radiation damage introduced by ion implantation were investigated. The glassy carbon substrates were implanted with Cd at a dose of 2 × 10{sup 16} ions/cm{sup 2} and energy of 360 keV. The implantation was performed at room temperature (RT), 430 °C and 600 °C. The RT implanted samples were isochronally annealed in vacuum at 350, 500 and 600 °C for 1 h and isothermally annealed at 350 °C up to 4 h. The as-implanted and annealed samples were characterized by Raman spectroscopy and Rutherford backscattering spectrometry (RBS). Raman results revealed that implantation at room temperature amorphized the glassy carbon structure while high temperature implantations resulted in slightly less radiation damage. Isochronal annealing of the RT implanted samples resulted in some recrystallization as a function of increasing temperature. The original glassy carbon structure was not achieved at the highest annealing temperature of 600 °C. Diffusion of Cd in glassy carbon was already taking place during implantation at 430 °C. This diffusion of Cd was accompanied by significant loss from the surface during implantation at 600 °C. Isochronal annealing of the room temperature implanted samples at 350 °C for 1 h caused Cd to diffuse towards the bulk while isothermal annealing at 500 and 600 °C resulted in the migration of implanted Cd toward the surface accompanied by a loss of Cd from the surface. Isothermal annealing at 350 °C for 1 h caused Cd to diffuse towards the bulk while for annealing time >1 h Cd diffused towards the surface. These results were interpreted in terms of trapping and de-trapping of implanted Cd by radiation damage.

  18. Calorimetric features of release of plastic deformation induced internal stresses, and approach to equilibrium state on annealing of crystals and glasses

    Johari, G.P., E-mail: joharig@mcmaster.ca

    2014-04-01

    Highlights: • Stress release in a glass occurs at a faster rate than structural relaxation. • Plastically-deformed glass would show two exothermic minima, and no glass transition. • Enthalpy matching procedure would yield an inaccurate fictive temperature. • Complex heat capacity may distinguish plastically-deformed from quench-formed glass. - Abstract: Plastic deformation of crystals and glasses produces internal strains (stresses), which change their energy and other thermodynamic properties. On annealing, these stresses decrease at a rate faster than the structure relaxes toward the equilibrium state. Mechanism of such relaxations in crystals differs from that in glasses and it also differs for glasses of different types. In all cases, the energy related properties decrease with time isothermally and on heating, resembling the structure relaxation of a stress-free glass. We consider these features and argue that kinetics of enthalpy loss with time yields the rate constants of the stress release and of the structure change, and not the viscosity determining α-relaxation time. Since thermal cycling does not recover the enthalpy from internal stresses, a glass with stresses has neither a glass-softening temperature, T{sub g}, nor a fictive temperature, T{sub f}. Plastic deformation would not rejuvenate a physically aged glass to the properties of its un-aged state. The Prigogine–Defay ratio can be extended to all T{sub f}s, and used to investigate the effect of distribution of relaxation times on its value, but it can not be defined for an internally stressed glass. After discussing the effects of annealing on the heat capacity and DSC scans, we conclude that on slow heating, glass with deformation-induced stresses would show two exothermic minima, and normal glass would show only one such minimum. Temperature-modulated scanning calorimetry would also distinguish an internally stressed glass from an equally high-enthalpy, stress-free glass. Enthalpy

  19. Thermoluminescent properties of polycrystalline carbon doped LaAlO3/La(OH)3 crystals synthesized by solid state reaction for application in UV dosimetry

    Alves, N.; Oliveira de F, L.; Barbosa F, W.

    2017-10-01

    It is well known that UV radiation can induce certain deleterious effects, such as erythema, painful inflammation of the membrane of the eye and skin cancer. Therefore, it has been pushing the research for producing new and high performance UV sensitive Tl materials. There is an increasing interest in the development of new Tl materials for ultraviolet (UV) dosimetry purposes, owing to simplicity of the sample readout compared to other techniques. In this paper, thermoluminescence and dosimetric characteristics of pure and carbon doped lanthanum aluminate and hydroxide lanthanum crystals, irradiated with different UV doses, were studied and discussed. All samples studied were produced by solid state reaction method with different mixing methodologies. Characterization of sintered powders by X-ray diffraction, UV-Vis spectrophotometry and Ftir spectroscopy were performed. XRD data confirmed the LaAlO 3 and La(OH) 3 crystalline phases. The thermoluminescent study revealed that all compositions presented high UV sensibility. The sample which was grown by first sintering La 2 O 3 together carbon atoms and then sintering again in order to obtain La 2 O 3 :C together Al 2 O 3 , presented the best linear dose response over UV doses ranging from 0.042 to 0.63 mJ/cm 2 , with correlation coefficients equal to 0.99931. The synthesis methodology used was very efficient to obtain crystals with high Tl output intensities for low exposure rate UV R fields. (Author)

  20. Development of a Quartz Crystal Microbalance Sensor Modified by Nano-Structured Polyaniline for Detecting the Plasticizer in Gaseous State

    Hui XU

    2014-01-01

    Full Text Available A quartz crystal microbalance (QCM modified by a film of nano-structured polyaniline (nano-PANI is developed as a gas sensor for detecting the presence of the plasticizer, such as dibutyl phthalate (DBP in the ambient. Nano-PANI is prepared using a non-template method and the films are deposited using physical coating method. Scanning electron microscopy is used to characterize the nano-PANI film. The sensor response towards DBP is tested in a sealed gas chamber. The QCM resonant frequency shift is measured due to the absorption of DBP with different concentration ranging from 0.04 to 1.2 ppm. The experiment results show that the variation of the frequency is a linear function of DBP concentration and the sensitivity up to 54 Hz/ppm could be achieved by using the researched nano-PANI on QCM. To investigate the selectivity, the potential interfering analytes such as acetone, ethanol, acetaldehyde and formaldehyde are tested. And the mechanism hypothesis of the nano-PANI sensitive to the plasticizer is analyzed.

  1. A novel model for smectic liquid crystals: Elastic anisotropy and response to a steady-state flow.

    Püschel-Schlotthauer, Sergej; Meiwes Turrión, Victor; Stieger, Tillmann; Grotjahn, Robin; Hall, Carol K; Mazza, Marco G; Schoen, Martin

    2016-10-28

    By means of a combination of equilibrium Monte Carlo and molecular dynamics simulations and nonequilibrium molecular dynamics we investigate the ordered, uniaxial phases (i.e., nematic and smectic A) of a model liquid crystal. We characterize equilibrium behavior through their diffusive behavior and elastic properties. As one approaches the equilibrium isotropic-nematic phase transition, diffusion becomes anisotropic in that self-diffusion D ⊥ in the direction orthogonal to a molecule's long axis is more hindered than self-diffusion D ∥ in the direction parallel to that axis. Close to nematic-smectic A phase transition the opposite is true, D ∥ flow depending on whether the convective velocity is parallel or orthogonal to the plane of smectic layers. We find that in Poiseuille-like flow the viscosity of the smectic A phase is higher than in plug flow. This can be rationalized via the velocity-field component in the direction of the flow. In a sufficiently strong flow these smectic layers are not destroyed but significantly bent.

  2. Crystal Structures of SlyA Protein, a Master Virulence Regulator of Salmonella, in Free and DNA-bound States

    Dolan, Kyle T.; Duguid, Erica M.; He, Chuan (UC)

    2011-11-17

    SlyA is a master virulence regulator that controls the transcription of numerous genes in Salmonella enterica. We present here crystal structures of SlyA by itself and bound to a high-affinity DNA operator sequence in the slyA gene. SlyA interacts with DNA through direct recognition of a guanine base by Arg-65, as well as interactions between conserved Arg-86 and the minor groove and a large network of non-base-specific contacts with the sugar phosphate backbone. Our structures, together with an unpublished structure of SlyA bound to the small molecule effector salicylate (Protein Data Bank code 3DEU), reveal that, unlike many other MarR family proteins, SlyA dissociates from DNA without large conformational changes when bound to this effector. We propose that SlyA and other MarR global regulators rely more on indirect readout of DNA sequence to exert control over many genes, in contrast to proteins (such as OhrR) that recognize a single operator.

  3. Polarity-sensitive transient patterned state in a twisted nematic liquid crystal driven by very low frequency fields.

    Krishnamurthy, K S; Kumar, Pramoda; Kumar, M Vijay

    2013-02-01

    We report, for a rodlike nematic liquid crystal with small positive dielectric and conductivity anisotropies, and in the 90°-twisted configuration, low frequency (wave electric field generated Carr-Helfrich director modulation appearing transiently over a few seconds at each polarity reversal and vanishing almost completely under steady field conditions. Significantly, the instability is polarity sensitive, with the maximum distortion localized in the vicinity of the negative electrode, rather than in the midplane of the layer. This is revealed by the wave vector alternating in the two halves of the driving cycle between the alignment directions at the two substrates. Besides the Carr-Helfrich mechanism, quadrupolar flexoelectric polarization arising under electric field gradient is strongly indicated as being involved in the development of the transient periodic order. Similar transient instability is also observed in other nematic compounds with varying combinations of dielectric and conductivity anisotropies, showing its general nature. The study also deals with various characteristics of the electro-optic effect that emerge from the temporal variation of optical response for different driving voltages, frequencies, and temperatures.

  4. Eu/RG absorption and excitation spectroscopy in the solid rare gases: state dependence of crystal field splitting and Jahn-Teller coupling.

    Byrne, Owen; McCaffrey, John G

    2011-03-28

    Absorption spectroscopy recorded for annealed samples of matrix-isolated atomic europium reveals a pair of thermally stable sites in Ar and Kr while a single site exists in Xe. Plots of the matrix shifts of the visible s → p bands versus host polarizability, allowed the association of the single site in Xe and the blue sites in Ar and Kr. On the basis of the similar ground state bond lengths expected for the Eu-rare gas (RG) diatomics and the known Na-RG molecules, the blue sites are attributed to Eu occupancy in the smaller tetra-vacancy while the red sites are proposed to arise from hexa-vacancy sites. Both sites are of cubic symmetry, consistent with the pronounced Jahn-Teller structure present on the y(8)P ← a(8)S(7/2) transition for these bands in the three hosts studied. Site-selective excitation spectroscopy has been used to reanalyze complex absorption spectra previously published by Jakob et al. [Phys. Lett. A 57, 67 (1976)] for the near-UV f → d transitions. On the basis that a pair of thermally stable sites exist in solid argon, the occurrence of crystal field splitting has been identified to occur for the J ≥ 5/2 level of the (8)P state when isolated in these two sites with cubic symmetry. From a detailed lineshape analysis, the magnitude of the crystal field splittings on the J = 5/2 level in Ar is found to be 105 and 123 cm(-1) for the red and blue sites, respectively.

  5. Inelastic light scattering in crystals

    Sushchinskii, M. M.

    The papers presented in this volume are concerned with a variety of problems in optics and solid state physics, such as Raman scattering of light in crystals and disperse media, Rayleigh and inelastic scattering during phase transitions, characteristics of ferroelectrics in relation to the general soft mode concept, and inelastic spectral opalescence. A group-theory approach is used to classify the vibrational spectra of the crystal lattice and to analyze the properties of idealized crystal models. Particular attention is given to surface vibrational states and to the study of the surface layers of crystals and films by light scattering methods.

  6. Electrochemical investigations of Pu(IV)/Pu(III) redox reaction using graphene modified glassy carbon electrodes and a comparison to the performance of SWCNTs modified glassy carbon electrodes

    Gupta, Ruma; Gamare, Jayashree; Sharma, Manoj K.; Kamat, J.V.

    2016-01-01

    Highlights: • First report of aqueous electrochemistry of Plutonium on graphene modified electrode. • Graphene is best electrocatalytic material for Pu(IV)/Pu(III) redox couple among the reported modifiers viz. reduced graphene oxide (rGO) and SWCNT’s. • The electrochemical reversibility of Pu(IV)/Pu(III) redox couple improves significantly on graphene modified electrode compared to previously reported rGO & SWCNTs modified electrodes • Donnan interaction between plutonium species and graphene surface offers a possibility for designing a highly sensitive sensor for plutonium • Graphene modified electrode shows higher sensitivity for the determination of plutonium compared to glassy carbon and single walled carbon nanotube modified electrode - Abstract: The work reported in this paper demonstrates for the first time that graphene modified glassy carbon electrode (Gr/GC) show remarkable electrocatalysis towards Pu(IV)/Pu(III) redox reaction and the results were compared with that of single-walled carbon nanotubes modified GC (SWCNTs/GC) and glassy carbon (GC) electrodes. Graphene catalyzes the exchange of current of the Pu(IV)/Pu(III) couple by reducing both the anodic and cathodic overpotentials. The Gr/GC electrode shows higher peak currents (i p ) and smaller peak potential separation (ΔE p ) values than the SWCNTs/GC and GC electrodes. The heterogeneous electron transfer rate constants (k s ), charge transfer coefficients (α) and the diffusion coefficients (D) involved in the electrocatalytic redox reaction were determined. Our observations show that graphene is best electrocatalytic material among both the SWCNTs and GC to study Pu(IV)/Pu(III) redox reaction.

  7. Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe

    Gabardi, S.; Caravati, S.; Sosso, G. C.; Behler, J.; Bernasconi, M.

    2015-08-01

    Aging is a common feature of the glassy state. In the case of phase-change chalcogenide alloys the aging of the amorphous state is responsible for an increase of the electrical resistance with time. This phenomenon called drift is detrimental in the application of these materials in phase-change nonvolatile memories, which are emerging as promising candidates for storage class memories. By means of combined molecular dynamics and electronic structure calculations based on density functional theory, we have unraveled the atomistic origin of the resistance drift in the prototypical phase-change compound GeTe. The drift results from a widening of the band gap and a reduction of Urbach tails due to structural relaxations leading to the removal of chains of Ge-Ge homopolar bonds. The same structural features are actually responsible for the high mobility above the glass transition which boosts the crystallization speed exploited in the device.

  8. Origin and role of gap states in organic semiconductor studied by UPS: as the nature of organic molecular crystals

    Yang, Jin-Peng; Bussolotti, Fabio; Kera, Satoshi; Ueno, Nobuo

    2017-01-01

    This article reviews experimental studies on ‘bridging electronic structure and charge transport property of organic semiconductors’ performed using ultraviolet photoelectron spectroscopy (UPS) and related methods mainly in Chiba University, Japan, in particular on the investigation of the origin and the role of electronic states existing in the highest occupied molecular orbital band–lowest unoccupied molecular orbital band (HOMO–LUMO) gap. We summarize experimental observations including direct measurements of ‘invisible’ gap states with ultrahigh sensitivity UPS, which demonstrate that there exist intrinsic gap states in organic semiconductors. We firstly describe the nature of organic molecular solids to understand features of organic semiconductors because such intrinsic gap states are a result of the interplay of these features, which give the principal difference between the organic semiconductor and inorganic counterpart. We then discuss (i) the origin and role of the band gap states in relation to intermolecular interaction/band dispersion and electron–phonon coupling, (ii) the Fermi level pinning issue in organic semiconductors, and (iii) the method of computing the Fermi level position within the HOMO–LUMO gap for experimental groups. The gap states of organic semiconductors appear easily when a weak perturbation is applied to the organic system, namely by contact with other material, by injecting a charge, by elevating temperature, and by exposure to 1 atm gas. What we finally found is that tailing states of HOMO and LUMO always exist, and their energy distributions must not be symmetric; they thus produce a larger Fermi level shift from the mid gap position than previously thought. Furthermore, as shown by computational work, Fermi level pinning , which is a well-known phenomena in semiconductor devices field, occurs in weakly interacting organic/conductor systems without any gap states if the system temperature is not zero ( T

  9. Origin and role of gap states in organic semiconductor studied by UPS: as the nature of organic molecular crystals

    Yang, Jin-Peng; Bussolotti, Fabio; Kera, Satoshi; Ueno, Nobuo

    2017-10-01

    This article reviews experimental studies on ‘bridging electronic structure and charge transport property of organic semiconductors’ performed using ultraviolet photoelectron spectroscopy (UPS) and related methods mainly in Chiba University, Japan, in particular on the investigation of the origin and the role of electronic states existing in the highest occupied molecular orbital band-lowest unoccupied molecular orbital band (HOMO-LUMO) gap. We summarize experimental observations including direct measurements of ‘invisible’ gap states with ultrahigh sensitivity UPS, which demonstrate that there exist intrinsic gap states in organic semiconductors. We firstly describe the nature of organic molecular solids to understand features of organic semiconductors because such intrinsic gap states are a result of the interplay of these features, which give the principal difference between the organic semiconductor and inorganic counterpart. We then discuss (i) the origin and role of the band gap states in relation to intermolecular interaction/band dispersion and electron-phonon coupling, (ii) the Fermi level pinning issue in organic semiconductors, and (iii) the method of computing the Fermi level position within the HOMO-LUMO gap for experimental groups. The gap states of organic semiconductors appear easily when a weak perturbation is applied to the organic system, namely by contact with other material, by injecting a charge, by elevating temperature, and by exposure to 1 atm gas. What we finally found is that tailing states of HOMO and LUMO always exist, and their energy distributions must not be symmetric; they thus produce a larger Fermi level shift from the mid gap position than previously thought. Furthermore, as shown by computational work, Fermi level pinning, which is a well-known phenomena in semiconductor devices field, occurs in weakly interacting organic/conductor systems without any gap states if the system temperature is not zero (T  >  0). We

  10. 1.45 A resolution crystal structure of recombinant PNP in complex with a pM multisubstrate analogue inhibitor bearing one feature of the postulated transition state

    Chojnowski, Grzegorz; Breer, Katarzyna; Narczyk, Marta; Wielgus-Kutrowska, Beata; Czapinska, Honorata; Hashimoto, Mariko; Hikishima, Sadao; Yokomatsu, Tsutomu; Bochtler, Matthias; Girstun, Agnieszka; Staron, Krzysztof; Bzowska, Agnieszka

    2010-01-01

    Low molecular mass purine nucleoside phosphorylases (PNPs, E.C. 2.4.2.1) are homotrimeric enzymes that are tightly inhibited by immucillins. Due to the positive charge on the ribose like part (iminoribitol moiety) and protonation of the N7 atom of the purine ring, immucillins are believed to act as transition state analogues. Over a wide range of concentrations, immucillins bind with strong negative cooperativity to PNPs, so that only every third binding site of the enzyme is occupied (third-of-the-sites binding). 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine (DFPP-DG) shares with immucillins the protonation of the N7, but not the positive charge on the ribose like part of the molecule. We have previously shown that DFPP-DG interacts with PNPs with subnanomolar inhibition constant. Here, we report additional biochemical experiments to demonstrate that the inhibitor can be bound with the same K d (∼190 pM) to all three substrate binding sites of the trimeric PNP, and a crystal structure of PNP in complex with DFPP-DG at 1.45 A resolution, the highest resolution published for PNPs so far. The crystals contain the full PNP homotrimer in the asymmetric unit. DFPP-DG molecules are bound in superimposable manner and with full occupancies to all three PNP subunits. Thus the postulated third-of-the-sites binding of immucillins should be rather attribute to the second feature of the transition state, ribooxocarbenium ion character of the ligand or to the coexistence of both features characteristic for the transition state. The DFPP-DG/PNP complex structure confirms the earlier observations, that the loop from Pro57 to Gly66 covering the phosphate-binding site cannot be stabilized by phosphonate analogues. The loop from Glu250 to Gln266 covering the base-binding site is organized by the interactions of Asn243 with the Hoogsteen edge of the purine base of analogues bearing one feature of the postulated transition state (protonated N7 position).

  11. Crystals in light.

    Kahr, Bart; Freudenthal, John; Gunn, Erica

    2010-05-18

    We have made images of crystals illuminated with polarized light for almost two decades. Early on, we abandoned photosensitive chemicals in favor of digital electrophotometry with all of the attendant advantages of quantitative intensity data. Accurate intensities are a boon because they can be used to analytically discriminate small effects in the presence of larger ones. The change in the form of our data followed camera technology that transformed picture taking the world over. Ironically, exposures in early photographs were presumed to correlate simply with light intensity, raising the hope that photography would replace sensorial interpretation with mechanical objectivity and supplant the art of visual photometry. This was only true in part. Quantitative imaging accurate enough to render the separation of crystalloptical quantities had to await the invention of the solid-state camera. Many pioneers in crystal optics were also major figures in the early history of photography. We draw out the union of optical crystallography and photography because the tree that connects the inventors of photography is a structure unmatched for organizing our work during the past 20 years, not to mention that silver halide crystallites used in chemical photography are among the most consequential "crystals in light", underscoring our title. We emphasize crystals that have acquired optical properties such as linear birefringence, linear dichroism, circular birefringence, and circular dichroism, during growth from solution. Other crystalloptical effects were discovered that are unique to curiously dissymmetric crystals containing embedded oscillators. In the aggregate, dyed crystals constitute a generalization of single crystal matrix isolation. Simple crystals provided kinetic stability to include guests such as proteins or molecules in excited states. Molecular lifetimes were extended for the preparation of laser gain media and for the study of the photodynamics of single

  12. Liquid Crystal Colloids

    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. Thermodynamics of Crystals

    Navrotsky, Alexandra

    Thermodynamics of Crystals is a gold mine of a references bargain with more derivations of useful equations per dollar, or per page, than almost any other book I know. Useful to whom? To the solid state physicist, the solid state chemist working the geophysicist, the rock mechanic, the mineral physicist. Useful for what? For lattice dynamics, crystal potentials, band structure. For elegant, rigorous, and concise derivations of fundamental equations. For comparison of levels of approximation. For some data and physical insights, especially for metals and simple halides. This book is a reissue, with some changes and additions, of a 1970 treatise. It ages well, since the fundamentals do not change.

  14. Unoccupied electronic state of delafossite-type PdCoO2 single crystal probed using inverse photoemission spectroscopy

    Higuchi, Tohru; Tsukamoto, Takeyo; Hasegawa, Masashi; Tanaka, Masayuki; Takei, Humihiko; Shin, Shik

    2004-01-01

    The unoccupied electronic state of delafossite-type PdCoO 2 has been studied using inverse-photoemission spectroscopy (IPES). The Fermi edge and the unoccupied density-of-state (DOS) at the Fermi level (E F ) are not observed in the IPES spectrum measured at the incidence electron energy (E K ) of 100 eV, which corresponds to the Cooper minimum of Pd 4d. The finite DOS at E F is observed in the IPES spectra measured at the lower E K , which the ionization cross section of Pd 4d increases. These findings indicate that the Pd 4d electron is closely related to the low electrical resistivity of PdCoO 2 . (author)

  15. Tunable Solid-State Quantum Memory Using Rare-Earth-Ion-Doped Crystal, Nd3(+):GaN

    2017-04-26

    which inverts the atomic transition frequencies around the central frequency. The rephasing mechanism can be understood by the following argument. Atoms...the electric field at t = τ. By inverting the polarity, the atoms invert their detunings Δ → −Δ. After a time t = 2τ the atoms will have accumulated... lifetime of the state |3>. The system of the dynamic equation for the density matrix elements becomes Approved for public release; distribution

  16. Electrocatalytic oxidation of hydrazine at overoxidized polypyrrole film modified glassy carbon electrode

    Majidi, Mir Reza [Department of Analytical Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz 51664 (Iran, Islamic Republic of); Jouyban, Abolghasem [Faculty of Pharmacy and Drug Applied Research Center, Tabriz University of Medical Sciences, Tabriz 51664 (Iran, Islamic Republic of); Asadpour-Zeynali, Karim [Department of Analytical Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz 51664 (Iran, Islamic Republic of)]. E-mail: asadpour@tabrizu.ac.ir

    2007-06-20

    Electrocatalytic oxidation of hydrazine (HZ) was studied on an overoxidized polypyrrole (OPPy) modified glassy carbon electrode using cyclic voltammetry and chronoamperometry techniques. The OPPy-modified glassy carbon electrode has very high catalytic ability for electrooxidation of HZ, which appeared as a reduced overpotential in a wide operational pH range of 5-10. The overall numbers of electrons involved in the catalytic oxidation of HZ, the number of electrons involved in the rate-determining and diffusion coefficient of HZ were estimated using cyclic voltammetry and chronoamperometry. It has been shown that using the OPPy-modified electrode, HZ can be determined by cyclic voltammetry and amperometry with limit of detection 36 and 3.7 {mu}M, respectively. The results of the analysis suggest that the proposed method promises accurate results and could be employed for the routine determination of HZ.

  17. Connection between NMR and electrical conductivity in glassy chalcogenide fast ionic conductors

    Kim, K.H.

    1995-01-01

    The work documented in this thesis follows the traditional order. In this chapter a general discussion of ionic conduction and of glassy materials are followed by a brief outline of the experimental techniques for the investigation of fast ionic conduction in glassy materials, including NMR and impedance spectroscopy techniques. A summary of the previous and present studies is presented in the last section of this introductory chapter. The details of the background theory and models are found in the Chapter II, followed by the description of the experimental details in Chapter III. Chapter IV of the thesis describes the experimental results and the analysis of the experimental observations followed by the conclusions in chapter V

  18. Voltammetric behavior of sedative drug midazolam at glassy carbon electrode in solubilized systems

    Rajeev Jain

    2012-04-01

    Full Text Available Redox behavior of midazolam was studied at a glassy carbon electrode in various buffer systems, supporting electrolytes and pH using differential pulse, square-wave and cyclic voltammetry. Based on its reduction behavior, a direct differential pulse voltammetric method has been developed and validated for the determination of midazolam in parenteral dosage. Three well-defined peaks were observed in 0.1% SLS, Britton–Robinson (BR buffer of pH 2.5. The effect of surfactants like sodium lauryl sulfate (SLS, cetyl trimethyl ammonium bromide (CTAB and Tween 20 was studied. Among these surfactants SLS showed significant enhancement in reduction peak. The cathodic peak currents were directly proportional to the concentration of midazolam with correlation coefficient of 0.99. Keywords: Midazolam, Voltammetry, Surfactant, Glassy carbon electrode, Parenteral dosage form

  19. Formation of glassy carbon structure and its change under neutron irradiation

    Kurolenkin, E.I.; Lopato, Yu.S.; Virgil' ev, Yu.S.; Khakimova, D.K.; Aksenov, S.I.

    1981-01-01

    The changes of glassy carbon structure, which is prepared of phenol-formaldehyde and furfurol-phenol-formaldehyde resins in the process of irradiation with 5.3x10/sup 20/ cm/sup -2/ neutron fluence with the energy E>0.18 MeV in the temperature range of 90-540 deg C are studied. It is established the irradiation results in the shrinkage of the samples. The compression of the samples increases with the irradiation temperature and neutron fluence. The thermal annealing does not result in the restoration of the volume of samples. The sample shrinkage, caused by more compact package of globular structures and the destruction of film structures, decrease gas permeability of glassy carbon.

  20. Studies on Photodarkening Effect in Glassy As2S3 Using High Field NMR

    Hari, Parameswar; Su, Tining; Taylor, Craig; Reyes, Arneil; Kuhns, Phil; Moulton, William; Sullivan, N. S.

    2001-03-01

    Photodarkening, or the shift of the optical absorption edge to smaller energies after excitation with light whose energy is near that of the optical band edge, has been studied in many chalcogenide glasses for many years. Recently we have conducted nuclear magnetic resonance (NMR) studies of 75As in glassy As2S3 at 17T . We compared the 75As NMR lineshape in glassy As2S3 before and after irradiation at 77K. After irradiation at 514.5 nm for 230 hours with 170 mW/cm2 there is a subtle change in the NMR lineshape. This change is reversible on annealing at 200 C for 1.75 hours. We will discuss the implications of this result based on NMR lineshape analysis using an exact solution of the spin 3/2 Hamiltonian

  1. A TPD-MS study of glassy carbon surfaces oxidized by CO2 and O2

    MILA D. LAUSEVIC

    2002-11-01

    Full Text Available The temperature-programmed desorption (TPD method combined with mass spectrometric (MS analysis has been applied to investigate the surface properties of carbon materials. The apparatus consisting of a temperature-programmed furnace and a quadrupole mass spectrometer was constructed in order to characterize the surface of differently treated glassy carbon samples. In this work, samples of glassy carbon exposed to air, CO2 and O2 were examined. The desorption of H2O, CO and CO2, as major products, indicated the presence of different oxide groups. The amount of these groups for all samples was calculated. It is concluded that oxidation affects the nature and the amount of the surface oxide groups and contributes to their increased stability.

  2. Free volume and elastic properties changes in Cu-Zr-Ti-Pd bulk glassy alloy on heating

    Louzguine-Luzgin, Dmitri V.; Yavari, Alain Reza; Fukuhara, Mikio; Ota, Katsumi; Xie, Guoqiang; Vaughan, Gavin; Inoue, Akihisa

    2007-01-01

    The variation of free volume and elastic properties of the Cu 55 Zr 30 Ti 10 Pd 5 glassy alloy on heating was studied. The structure changes on heating were studied by synchrotron X-ray diffraction, differential scanning and isothermal calorimetries. The studied glassy alloy shows a rather high Poisson's ratio exceeding 0.42 which is maintained after the structure relaxation and primary devitrification. Young's and Shear modules decrease upon primary devitrification while Bulk modulus exhibits a maximum after structural relaxation

  3. Definition and preparation of glassy matrices by innovating processes to confine radioactive wastes and industrial toxic materials

    Moncouyoux, J.P.

    1995-01-01

    The confinement by vitrification of high-level radioactive wastes is studied in the CEA for fifteen years. These studies have lead to the preparation of glassy matrices by innovating processes. These processes can be applied to non-radioactive toxic materials treatment too. In this work are more particularly described the glassy matrix long-dated behaviour and the different vitrification processes used (by direct induction in cold crucible, by transferred arc plasma). (O.L.). 1 tab

  4. Thermoluminescent properties of polycrystalline carbon doped LaAlO{sub 3}/La(OH){sub 3} crystals synthesized by solid state reaction for application in UV dosimetry

    Alves, N.; Oliveira de F, L. [Federal University of the State of Minas Gerais, Department of Nuclear Engineering, Av. Pres. Antonio Carlos 6627, 31270-901 Belo Horizonte, Minas Gerais (Brazil); Barbosa F, W., E-mail: neire.radiologia@yahoo.com.br [Nuclear Technology Development Center, 941, 30161-970 Belo Horizonte, Minas Gerais (Brazil)

    2017-10-15

    It is well known that UV radiation can induce certain deleterious effects, such as erythema, painful inflammation of the membrane of the eye and skin cancer. Therefore, it has been pushing the research for producing new and high performance UV sensitive Tl materials. There is an increasing interest in the development of new Tl materials for ultraviolet (UV) dosimetry purposes, owing to simplicity of the sample readout compared to other techniques. In this paper, thermoluminescence and dosimetric characteristics of pure and carbon doped lanthanum aluminate and hydroxide lanthanum crystals, irradiated with different UV doses, were studied and discussed. All samples studied were produced by solid state reaction method with different mixing methodologies. Characterization of sintered powders by X-ray diffraction, UV-Vis spectrophotometry and Ftir spectroscopy were performed. XRD data confirmed the LaAlO{sub 3} and La(OH){sub 3} crystalline phases. The thermoluminescent study revealed that all compositions presented high UV sensibility. The sample which was grown by first sintering La{sub 2}O{sub 3} together carbon atoms and then sintering again in order to obtain La{sub 2}O{sub 3}:C together Al{sub 2}O{sub 3}, presented the best linear dose response over UV doses ranging from 0.042 to 0.63 mJ/cm{sup 2}, with correlation coefficients equal to 0.99931. The synthesis methodology used was very efficient to obtain crystals with high Tl output intensities for low exposure rate UV R fields. (Author)

  5. Modified positron annihilation model for glassy-like As2Se3

    Kozdras, A.; Shpotyuk, O.; Kovalskiy, A.; Filipecki, J.

    2005-01-01

    An approach to structural characterization of chalcogenide glasses based on the study of void distribution is discussed. The results of positron annihilation lifetime spectra measurements for glassy As 2 Se 3 are compared with nano-void distribution data obtained from Monte Carlo simulation. In this consideration perspectives to involve the parameters of nano-voids calculated from the first sharp diffraction peak in the frame work of known Elliott's model are analyzed. (author)

  6. Solute induced relaxation in glassy polymers: Experimental measurements and nonequilibrium thermodynamic model

    Minelli, Matteo; Doghieri, Ferruccio

    2014-01-01

    Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps

  7. Generation of fine hydromagmatic ash by growth and disintegration of glassy rinds

    Mastin, L.G.

    2007-01-01

    The deposits of mafic hydromagmatic eruptions are more fine grained and variable in vesicularity than dry magmatic deposits. Blocky, equant shapes of many hydromagmatic clasts also contrast with droplet, thread, and bubble wall morphology of dry magmatic fragments. Small (disintegration of glassy rinds on pyroclast surfaces as they deform within turbulent flows. This process, termed "turbulent shedding", may occur during the expansion phase of vapor explosions or during turbulent but nonexplosive mixing of magma with water, steam, or water sprays. The occurrence of turbulent shedding and the resulting fragment sizes depend on the timescale for rind growth and the timescale between disturbances that remove or disintegrate glassy rinds. Turbulent shedding is directly observable in some small littoral jets at Kilauea. Calculations suggest that, in the presence of liquid water or water sprays, glassy rinds having a thickness of microns to millimeters should form in milliseconds to seconds. This is similar to the timescale between turbulent velocity fluctuations that can shred lava globules and remove such rinds. The fraction of a deposit consisting of fine ash should increase with the duration of this process: Large-scale Surtseyan jets generate hundreds or thousands of shedding events; bubble bursts or tephra jets at Kilauea's coast may produce only a few.

  8. Electrochemically modified sulfisoxazole nanofilm on glassy carbon for determination of cadmium(II) in water samples

    Gupta, Vinod Kumar; Yola, Mehmet Lütfi; Atar, Necip; Solak, Ali Osman; Uzun, Lokman; Üstündağ, Zafer

    2013-01-01

    Highlights: • Sulfisoxazole was grafted onto glassy carbon electrode. • The electrode was characterized by spectroscopic and electrochemical methods. • It has been used for the determination of Cd(II) ions in real samples in very low concentrations. -- Abstract: Sulfisoxazole (SO) was grafted to glassy carbon electrode (GCE) via the electrochemical oxidation of SO in acetonitrile solution containing 0.1 M tetrabutylammoniumtetra-fluoroborate (TBATFB). The prepared electrode was characterized by using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), reflection–absorption infrared spectroscopy (RAIRS) and X-ray photoelectron spectroscopy (XPS). The ellipsometric thickness of SO nanofilm at the glassy carbon surface was obtained as 14.48 ± 0.11 nm. The stability of the SO modified GCE was studied. The SO modified GCE was also utilized for the determination of Cd(II) ions in water samples in the presence of Pb(II) and Fe(II) by adsorptive stripping voltammetry. The linearity range and the detection limit of Cd(II) ions were 1.0 × 10 −10 to 5.0 × 10 −8 M and 3.3 × 10 −11 M (S/N = 3), respectively

  9. Graphene oxide-mediated electrochemistry of glucose oxidase on glassy carbon electrodes.

    Castrignanò, Silvia; Valetti, Francesca; Gilardi, Gianfranco; Sadeghi, Sheila J

    2016-01-01

    Glucose oxidase (GOD) was immobilized on glassy carbon electrodes in the presence of graphene oxide (GO) as a model system for the interaction between GO and biological molecules. Lyotropic properties of didodecyldimethylammonium bromide (DDAB) were used to stabilize the enzymatic layer on the electrode surface resulting in a markedly improved electrochemical response of the immobilized GOD. Transmission electron microscopy images of the GO with DDAB confirmed the distribution of the GO in a two-dimensional manner as a foil-like material. Although it is known that glassy carbon surfaces are not ideal for hydrogen peroxide detection, successful chronoamperometric titrations of the GOD in the presence of GO with β-d-glucose were performed on glassy carbon electrodes, whereas no current response was detected upon β-d-glucose addition in the absence of GO. The GOD-DDAB-GO system displayed a high turnover efficiency and substrate affinity as a glucose biosensor. The simplicity and ease of the electrode preparation procedure of this GO/DDAB system make it a good candidate for immobilizing other biomolecules for fabrication of amperometric biosensors. © 2015 International Union of Biochemistry and Molecular Biology, Inc.

  10. Direct electron transfer from glucose oxidase immobilized on a nano-porous glassy carbon electrode

    Haghighi, Behzad; Tabrizi, Mahmoud Amouzadeh

    2011-01-01

    Highlights: → A direct electron transfer reaction of glucose oxidase was observed on the surface of a nano-porous glassy carbon electrode. → A pair of well-defined and reversible redox peaks was observed at the formal potential of approximately -0.439 V. → The apparent electron transfer rate constant was measured to be 5.27 s -1 . → A mechanism for the observed direct electron transfer reaction was proposed, which consists of a two-electron and a two-proton transfer. - Abstract: A pair of well-defined and reversible redox peaks was observed for the direct electron transfer (DET) reaction of an immobilized glucose oxidase (GOx) on the surface of a nano-porous glassy carbon electrode at the formal potential (E o ') of -0.439 V versus Ag/AgCl/saturated KCl. The electron transfer rate constant (k s ) was calculated to be 5.27 s -1 . The dependence of E o ' on pH indicated that the direct electron transfer of the GOx was a two-electron transfer process, coupled with two-proton transfer. The results clearly demonstrate that the nano-porous glassy carbon electrode is a cost-effective and ready-to-use scaffold for the fabrication of a glucose biosensor.

  11. Direct electron transfer from glucose oxidase immobilized on a nano-porous glassy carbon electrode

    Haghighi, Behzad, E-mail: haghighi@iasbs.ac.ir [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Gava Zang, Zanjan (Iran, Islamic Republic of); Tabrizi, Mahmoud Amouzadeh [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Gava Zang, Zanjan (Iran, Islamic Republic of)

    2011-11-30

    Highlights: > A direct electron transfer reaction of glucose oxidase was observed on the surface of a nano-porous glassy carbon electrode. > A pair of well-defined and reversible redox peaks was observed at the formal potential of approximately -0.439 V. > The apparent electron transfer rate constant was measured to be 5.27 s{sup -1}. > A mechanism for the observed direct electron transfer reaction was proposed, which consists of a two-electron and a two-proton transfer. - Abstract: A pair of well-defined and reversible redox peaks was observed for the direct electron transfer (DET) reaction of an immobilized glucose oxidase (GOx) on the surface of a nano-porous glassy carbon electrode at the formal potential (E{sup o}') of -0.439 V versus Ag/AgCl/saturated KCl. The electron transfer rate constant (k{sub s}) was calculated to be 5.27 s{sup -1}. The dependence of E{sup o}' on pH indicated that the direct electron transfer of the GOx was a two-electron transfer process, coupled with two-proton transfer. The results clearly demonstrate that the nano-porous glassy carbon electrode is a cost-effective and ready-to-use scaffold for the fabrication of a glucose biosensor.

  12. Protection of nuclear graphite toward fluoride molten salt by glassy carbon deposit

    Bernardet, V.; Gomes, S.; Delpeux, S.; Dubois, M.; Guerin, K.; Avignant, D.; Renaudin, G.; Duclaux, L.

    2009-01-01

    Molten salt reactor represents one of the promising future Generation IV nuclear reactors families where the fuel, a liquid molten fluoride salt, is circulating through the graphite reactor core. The interactions between nuclear graphite and fluoride molten salt and also the graphite surface protection were investigated in this paper by powder X-ray diffraction, micro-Raman spectroscopy and scanning electron microscopy coupled with X-ray microanalysis. Nuclear graphite discs were covered by two kinds of protection deposit: a glassy carbon coating and a double coating of pyrolitic carbon/glassy carbon. Different behaviours have been highlighted according to the presence and the nature of the coated protection film. Intercalation of molten salt between the graphite layers did not occur. Nevertheless the molten salt adhered more or less to the surface of the graphite disc, filled more or less the graphite surface porosity and perturbed more or less the graphite stacking order at the disc surface. The behaviour of unprotected graphite was far to be satisfactory after two days of immersion of graphite in molten salt at 500 deg. C. The best protection of the graphite disc surface, with the maximum of inertness towards molten salt, has been obtained with the double coating of pyrolitic carbon/glassy carbon

  13. Potentiometric application of boron- and phosphorus-doped glassy carbon electrodes

    ZORAN V. LAUSEVIC

    2001-03-01

    Full Text Available Acomparative study was carried out of the potentiometric application of boronand phosphorus-doped and undoped glassy carbon samples prepared at the same heat treatment temperature (HTT 1000°C. The electrochemical activities of the obtained electrode materials were investigated on the example of argentometric titrations. It was found that the electrochemical behaviour of the doped glassy carbon samples are very similar to a Sigri (undoped glassy carbon sample (HTT 2400°C. The experiments showed that the potentiometric response depends on the polarization mode, the nature of the sample, the pretreatment of the electrode surface, and the nature of the supporting electrolyte. The amounts of iodide, bromide, and of chloridewere determined to be 1.27 mg, 0.80 mg and 0.54 mg, respectively, with a maximum relative standard deviation of less than 1.1%. The obtained results are in good agreement with the results of comparative potentiometric titrations using a silver indicator electrode. The titrationmethod was applied to the indirect determination of pyridoxine hydrochloride, i.e., vitamin B6.

  14. Glassy slags as novel waste forms for remediating mixed wastes with high metal contents

    Feng, X.; Wronkiewicz, D.J.; Bates, J.K.; Brown, N.R.; Buck, E.C.; Gong, M.; Ebert, W.L.

    1994-01-01

    Argonne National Laboratory (ANL) is developing a glassy slag final waste form for the remediation of low-level radioactive and mixed wastes with high metal contents. This waste form is composed of various crystalline and metal oxide phases embedded in a silicate glass phase. This work indicates that glassy slag shows promise as final waste form because (1) it has similar or better chemical durability than high-level nuclear waste (HLW) glasses, (2) it can incorporate large amounts of metal wastes, (3) it can incorporate waste streams having low contents of flux components (boron and alkalis), (4) it has less stringent processing requirements (e.g., viscosity and electric conductivity) than glass waste forms, (5) its production can require little or no purchased additives, which can result in greater reduction in waste volume and overall treatment costs. By using glassy slag waste forms, minimum additive waste stabilization approach can be applied to a much wider range of waste streams than those amenable only to glass waste forms

  15. Gold nanoparticles directly modified glassy carbon electrode for non-enzymatic detection of glucose

    Chang, Gang; Shu, Honghui; Ji, Kai [Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials, Faculty of Materials Science and Engineering, Hubei University, No. 368 Youyi Avenue, Wuchang, Wuhan 430062 (China); Oyama, Munetaka [Department of Material Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8520 (Japan); Liu, Xiong [Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials, Faculty of Materials Science and Engineering, Hubei University, No. 368 Youyi Avenue, Wuchang, Wuhan 430062 (China); He, Yunbin, E-mail: ybhe@hubu.edu.cn [Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials, Faculty of Materials Science and Engineering, Hubei University, No. 368 Youyi Avenue, Wuchang, Wuhan 430062 (China)

    2014-01-01

    This work describes controllable preparation of gold nanoparticles on glassy carbon electrodes by using the seed mediated growth method, which contains two steps, namely, nanoseeds attachment and nanocrystals growth. The size and the dispersion of gold nanoparticles grown on glassy carbon electrodes could be easily tuned through the growth time based on results of field-emission scanning electron microscopy. Excellent electrochemical catalytic characteristics for glucose oxidation were observed for the gold nanoparticles modified glassy carbon electrodes (AuNPs/GC), resulting from the extended active surface area provided by the dense gold nanoparticles attached. It exhibited a wide linear range from 0.1 mM to 25 mM with the sensitivity of 87.5 μA cm{sup −2} mM{sup −1} and low detection limit down to 0.05 mM for the sensing of glucose. The common interfering species such as chloride ion, ascorbic acid, uric acid and 4-acetamidophenol were verified having no interference effect on the detection of glucose. It is demonstrated that the seed mediated method is one of the facile approaches for fabricating Au nanoparticles modified substrates, which could work as one kind of promising electrode materials for the glucose nonenzymatic sensing.

  16. Violation of the fluctuation-dissipation theorem in glassy systems: basic notions and the numerical evidence

    Crisanti, A; Ritort, F

    2003-01-01

    This review reports on the research done during past years on violations of the fluctuation-dissipation theorem (FDT) in glassy systems. It is focused on the existence of a quasi-fluctuation-dissipation theorem (QFDT) in glassy systems and the current supporting knowledge gained from numerical simulation studies. It covers a broad range of non-stationary aging and stationary driven systems such as structural glasses, spin glasses, coarsening systems, ferromagnetic models at criticality, trap models, models with entropy barriers, kinetically constrained models, sheared systems and granular media. The review is divided into four main parts: (1) an introductory section explaining basic notions related to the existence of the FDT in equilibrium and its possible extension to the glassy regime (QFDT), (2) a description of the basic analytical tools and results derived in the framework of some exactly solvable models, (3) a detailed report of the current evidence in favour of the QFDT and (4) a brief digression on the experimental evidence in its favour. This review is intended for inexpert readers who want to learn about the basic notions and concepts related to the existence of the QFDT as well as for the more expert readers who may be interested in more specific results. (topical review)

  17. Occurrence of particle debris field during focused Ga ion beam milling of glassy carbon

    Hu Qin [Centre for Industrial Photonics, Institute for Manufacturing, Department of Engineering, University of Cambridge, Alan Reece Building, 17 Charles Babbage Road, Cambridge, CB3 0FS (United Kingdom); O' Neill, William, E-mail: wo207@eng.cam.ac.uk [Centre for Industrial Photonics, Institute for Manufacturing, Department of Engineering, University of Cambridge, Alan Reece Building, 17 Charles Babbage Road, Cambridge, CB3 0FS (United Kingdom)

    2010-08-01

    To explore the machining characteristics of glassy carbon by focused ion beam (FIB), particles induced by FIB milling on glassy carbon have been studied in the current work. Nano-sized particles in the range of tens of nanometers up to 400 nm can often be found around the area subject to FIB milling. Two ion beam scanning modes - slow single scan and fast repetitive scan - have been tested. Fewer particles are found in single patterns milled in fast repetitive scan mode. For a group of test patterns milled in a sequence, it was found that a greater number of particles were deposited around sites machined early in the sequence. In situ EDX analysis of the particles showed that they were composed of C and Ga. The formation of particles is related to the debris generated at the surrounding areas, the low melting point of gallium used as FIB ion source and the high contact angle of gallium on glassy carbon induces de-wetting of Ga and the subsequent formation of Ga particles. Ultrasonic cleaning can remove over 98% of visible particles. The surface roughness (R{sub a}) of FIB milled areas after cleaning is less than 2 nm.

  18. Occurrence of particle debris field during focused Ga ion beam milling of glassy carbon

    Hu Qin; O'Neill, William

    2010-01-01

    To explore the machining characteristics of glassy carbon by focused ion beam (FIB), particles induced by FIB milling on glassy carbon have been studied in the current work. Nano-sized particles in the range of tens of nanometers up to 400 nm can often be found around the area subject to FIB milling. Two ion beam scanning modes - slow single scan and fast repetitive scan - have been tested. Fewer particles are found in single patterns milled in fast repetitive scan mode. For a group of test patterns milled in a sequence, it was found that a greater number of particles were deposited around sites machined early in the sequence. In situ EDX analysis of the particles showed that they were composed of C and Ga. The formation of particles is related to the debris generated at the surrounding areas, the low melting point of gallium used as FIB ion source and the high contact angle of gallium on glassy carbon induces de-wetting of Ga and the subsequent formation of Ga particles. Ultrasonic cleaning can remove over 98% of visible particles. The surface roughness (R a ) of FIB milled areas after cleaning is less than 2 nm.

  19. Electrochemical pre anodization of glassy carbon electrode and application to determine chloramphenicol

    Truc, Nguyen Minh; Mortensen, John; Anh, Nguyen Ba Hoai

    2008-01-01

    This paper suggested a method to enhance the performance of carbon electrodes for the determination of chloramphenicol (CAP). The sensitivity and the reproducibility of the carbon electrodes could be enhanced easily by electrochemical pretreatment. Some kinds of carbon material were studied including glassy carbon, graphite carbon and pyrolytic carbon. Numerous kinds of supporting electrolyte have been tried. For glassy carbon electrode, the acidic solution, H 2 SO 4 5 mM, resulted in best performance at pretreated voltage of +2.1V (vs. Ag/ AgCl) in duration of 250 second. However, for graphite and pyrolytic carbon electrodes, the phosphate buffer solution pH 6.0 gave the best performance at +1.7V (vs. Ag/ AgCl) in duration of 20 seconds. The detection limit could be at very low concentration of CAP: 0.8 ng/ ml for glassy carbon electrode, 3.5 ng/ ml for graphite carbon electrode. The method was successful applied to aqua-agriculture water sample and milk sample with simple extraction as well as direct ointment sample analysis. (author)

  20. Dynamics and Geometry of Icosahedral Order in Liquid and Glassy Phases of Metallic Glasses

    Masato Shimono

    2015-07-01

    Full Text Available The geometrical properties of the icosahedral ordered structure formed in liquid and glassy phases of metallic glasses are investigated by using molecular dynamics simulations. We investigate the Zr-Cu alloy system as well as a simple model for binary alloys, in which we can change the atomic size ratio between alloying components. In both cases, we found the same nature of icosahedral order in liquid and glassy phases. The icosahedral clusters are observed in liquid phases as well as in glassy phases. As the temperature approaches to the glass transition point Tg, the density of the clusters rapidly grows and the icosahedral clusters begin to connect to each other and form a medium-range network structure. By investigating the geometry of connection between clusters in the icosahedral network, we found that the dominant connecting pattern is the one sharing seven atoms which forms a pentagonal bicap with five-fold symmetry. From a geometrical point of view, we can understand the mechanism of the formation and growth of the icosahedral order by using the Regge calculus, which is originally employed to formulate a theory of gravity. The Regge calculus tells us that the distortion energy of the pentagonal bicap could be decreased by introducing an atomic size difference between alloying elements and that the icosahedral network would be stabilized by a considerably large atomic size difference.

  1. Bringing to Light Hidden Elasticity in the Liquid State Using In-Situ Pretransitional Liquid Crystal Swarms.

    Philipp Kahl

    Full Text Available The present work reveals that at the sub-millimeter length-scale, molecules in the liquid state are not dynamically free but elastically correlated. It is possible to "visualize" these hidden elastic correlations by using the birefringent properties of pretransitional swarms persistent in liquids presenting a weak first order transition. The strategy consists in observing the optical response of the isotropic phase of mesogenic fluids to a weak (low energy mechanical excitation. We show that a synchronized optical response is observable at frequencies as low as 0.01Hz and at temperatures far away from any phase transition (up to at least 15°C above the transition. The observation of a synchronized optical signal at very low frequencies points out a collective response and supports the existence of long-range elastic (solid-like correlations existing at the sub-millimeter length-scale in agreement to weak solid-like responses already identified in various liquids including liquid water. This concept of elastically linked molecules differs deeply with the academic view of molecules moving freely in the liquid state and has profound consequences on the mechanisms governing collective effects as glass formation, gelation and transport, or synchronized processes in physiological media.

  2. Effect of particle size of drug on conversion of crystals to an amorphous state in a solid dispersion with crospovidone.

    Sugamura, Yuka; Fujii, Makiko; Nakanishi, Sayaka; Suzuki, Ayako; Shibata, Yusuke; Koizumi, Naoya; Watanabe, Yoshiteru

    2011-01-01

    The effect of particle size on amorphization of drugs in a solid dispersion (SD) was investigated for two drugs, indomethacin (IM) and nifedipine (NP). The SD of drugs were prepared in a mixture with crospovidone by a variety of mechanical methods, and their properties investigated by particle sizing, thermal analysis, and powder X-ray diffraction. IM, which had an initial particle size of 1 µm and tends to aggregate, was forced through a sieve to break up the particles. NP, which had a large initial particle size, was jet-milled. In both cases, reduction of the particle size of the drugs enabled transition to an amorphous state below the melting point of the drug. The reduction in particle size is considered to enable increased contact between the crospovidone and drug particles, increasing interactions between the two compounds. © 2011 Pharmaceutical Society of Japan

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

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

    2016-01-01

    By employing the phase-field-crystal models, the atomic crystallization process of hexagonal and square crystals is investigated with the emphasis on the growth mechanism and morphological change. A unified regime describing the crystallization behavior of both crystals is obtained with the thermodynamic driving force varying. By increasing the driving force, both crystals (in the steady-state) transform from a faceted polygon to an apex-bulged polygon, and then into a symmetric dendrite. For the faceted polygon, the interface advances by a layer-by-layer (LL) mode while for the apex-bulged polygonal and the dendritic crystals, it first adopts the LL mode and then transits into the multi-layer (ML) mode in the later stage. In particular, a shift of the nucleation sites from the face center to the area around the crystal tips is detected in the early growth stage of both crystals and is rationalized in terms of the relation between the crystal size and the driving force distribution. Finally, a parameter characterizing the complex shape change of square crystal is introduced. (paper)

  4. The von Neumann entanglement entropy for Wigner-crystal states in one dimensional N-particle systems

    Kościk, Przemysław

    2015-01-01

    We study one-dimensional systems of N particles in a one-dimensional harmonic trap with an inverse power law interaction ∼|x| −d . Within the framework of the harmonic approximation we derive, in the strong interaction limit, the Schmidt decomposition of the one-particle reduced density matrix and investigate the nature of the degeneracy appearing in its spectrum. Furthermore, the ground-state asymptotic occupancies and their natural orbitals are derived in closed analytic form, which enables their easy determination for a wide range of values of N. A closed form asymptotic expression for the von Neumann entanglement entropy is also provided and its dependence on N is discussed for the systems with d=1 (charged particles) and with d=3 (dipolar particles). - Highlights: • We study confined systems of N particles with an inverse power law interaction. • We apply the harmonic approximation to the systems. • We derive closed form expressions for the asymptotic von Neumann entropy. • The asymptotic von Neumann entropy grows monotonically as N increases

  5. Aluminum-air battery crystallizer

    Maimoni, A.

    1987-01-01

    A prototype crystallizer system for the aluminum-air battery operated reliably through simulated startup and shutdown cycles and met its design objectives. The crystallizer system allows for crystallization and removal of the aluminium hydroxide reaction product; it is required to allow steady-state and long-term operation of the aluminum-air battery. The system has to minimize volume and maintain low turbulence and shear to minimize secondary nucleation and energy consumption while enhancing agglomeration. A lamella crystallizer satisfies system constraints.

  6. Positrons in ionic crystals

    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)

  7. Effects of the sintering temperature on the diffused phase transition and the spin-glassy behavior in Pb0.95La0.05(Fe2/3W1/3)0.65Ti0.35O3 ceramics

    Hong, Cheng-Shong; Chu, Sheng-Yuan; Hsu, Chi-Cheng

    2010-01-01

    In this paper, the effect of the sintering temperature on the low-field dielectric behavior of nonstoichiometric Pb 0.95 La 0.05 (Fe 2/3 W 1/3 ) 0.65 Ti 0.35 O 3 relaxor ferroelectrics is investigated. The x-ray patterns and the scanning electron microscope images are used to detect the pyrochlore phase and the perovskite structure. The electric properties of the resistivity, the space charge polarization, the temperature-dependent dielectric constant and dielectric loss are discussed. The diffused phase transition and the ordering state are fitted and discussed by using the empirical law and two ordering models. Furthermore, the glassy behavior is determined by using the Curie-Weiss law and the spin-glass model. According to the experimental data and fitting results, the dielectric picture is changed from the short range order relaxorlike behavior to the long range order normal ferroelectric state as increasing the sintering temperature and the glassy behavior is weakened at the lowest and highest sintering temperature at which the pyrochlore phase PWO 4 is induced. Therefore, it is suggested that the 1:1 ordered domain is enhanced by increasing the sintering temperature and the glassy behavior is related to not only the ordering degree also the polar defect pairs. For more ordering degree and polar defect pairs, the glassy is weakened and the correlation of neighboring polar microregions is enhanced.

  8. Study of the ion-channel behavior on glassy carbon electrode supported bilayer lipid membranes stimulated by perchlorate anion

    Zhang, Zhiquan; Shi, Jun; Huang, Weimin, E-mail: huangwm@jlu.edu.cn

    2015-10-01

    In this paper, a kind of didodecyldimethylammonium bromide (DDAB) layer membranes was supported on a glassy carbon electrode (GCE). We studied the ion channel behavior of the supported bilayer lipid membrane by scanning electrochemical microscopy (SCEM) in tris(2,2′-bipyridine) ruthenium(II) solution. Perchlorate anion was used as a presence of stimulus and ruthenium(II) complex cations as the probing ions for the measurement of SECM, the lipid membrane channel was opened and exhibited the behavior of distinct SECM positive feedback curve. The channel was in a closed state in the absence of perchlorate anions while reflected the behavior of SECM negative feedback curve. The rates of electron transfer reaction in the lipid membranes surface were detected and it was dependant on the potential of SECM. - Highlights: • The rates of electron transfer reaction in the lipid membranes surface were detected. • Dynamic investigations of ion-channel behavior of supported bilayer lipid membranes by scanning electrochemical microscopy • A novel way to explore the interaction between molecules and supported bilayer lipid membranes.

  9. A study of the electro-catalytic oxidation of methanol on a cobalt hydroxide modified glassy carbon electrode

    Jafarian, M.; Mahjani, M.G.; Heli, H.; Gobal, F.; Khajehsharifi, H.; Hamedi, M.H.

    2003-01-01

    Cobalt hydroxide modified glassy carbon electrodes (CHM/GC) prepared by the anodic deposition in presence of tartrate ions have been used for the electro-catalytic oxidation of methanol in alkaline solutions where the methods of cyclic voltammetery (CV), chronoamperometry (CA) and impedance spectroscopy (IS) have been employed. In CV studies, in the presence of methanol the peak current of the oxidation of cobalt hydroxide increase is followed by a decrease in the corresponding cathodic current. This suggests that the oxidation of methanol is being catalysed through the mediated electron transfer across the cobalt hydroxide layer comprising of cobalt ions of various valence states. A mechanism based on the electro-chemical generation of Co(IV) active sites and their subsequent consumptions by methanol have been discussed and the corresponding rate law under the control of charge transfer has been developed and kinetic parameters have been derived. In this context the charge transfer resistance accessible both theoretically and through the IS studies have been used as a criteria. Under the CA regimes the reaction followed a Cottrellian behaviour

  10. Effective electrochemical method for investigation of hemoglobin unfolding based on the redox property of heme groups at glassy carbon electrodes.

    Li, Xianchan; Zheng, Wei; Zhang, Limin; Yu, Ping; Lin, Yuqing; Su, Lei; Mao, Lanqun

    2009-10-15

    This study demonstrates a facile and effective electrochemical method for investigation of hemoglobin (Hb) unfolding based on the electrochemical redox property of heme groups in Hb at bare glassy carbon (GC) electrodes. In the native state, the heme groups are deeply buried in the hydrophobic pockets of Hb with a five-coordinate high-spin complex and thus show a poor electrochemical property at bare GC electrodes. Upon the unfolding of Hb induced by the denaturant of guanidine hydrochloride (GdnHCl), the fifth coordinative bond between the heme groups and the residue of the polypeptides (His-F8) is broken, and as a result, the heme groups initially buried deeply in the hydrophobic pockets dissociate from the polypeptide chains and are reduced electrochemically at GC electrodes, which can be used to probe the unfolding of Hb. The results on the GdnHCl-induced Hb unfolding obtained with the electrochemical method described here well coincide with those studied with other methods, such as UV-vis spectroscopy, fluorescence, and circular dichroism. The application of the as-established electrochemical method is illustrated to study the kinetics of GdnHCl-induced Hb unfolding, the GdnHCl-induced unfolding of another kind of hemoprotein, catalase, and the pH-induced Hb unfolding/refolding.

  11. Determining the critical relative humidity at which the glassy to rubbery transition occurs in polydextrose using an automatic water vapor sorption instrument.

    Yuan, Xiaoda; Carter, Brady P; Schmidt, Shelly J

    2011-01-01

    Similar to an increase in temperature at constant moisture content, water vapor sorption by an amorphous glassy material at constant temperature causes the material to transition into the rubbery state. However, comparatively little research has investigated the measurement of the critical relative humidity (RHc) at which the glass transition occurs at constant temperature. Thus, the central objective of this study was to investigate the relationship between the glass transition temperature (Tg), determined using thermal methods, and the RHc obtained using an automatic water vapor sorption instrument. Dynamic dewpoint isotherms were obtained for amorphous polydextrose from 15 to 40 °C. RHc was determined using an optimized 2nd-derivative method; however, 2 simpler RHc determination methods were also tested as a secondary objective. No statistical difference was found between the 3 RHc methods. Differential scanning calorimetry (DSC) Tg values were determined using polydextrose equilibrated from 11.3% to 57.6% RH. Both standard DSC and modulated DSC (MDSC) methods were employed, since some of the polydextrose thermograms exhibited a physical aging peak. Thus, a tertiary objective was to compare Tg values obtained using 3 different methods (DSC first scan, DSC rescan, and MDSC), to determine which method(s) yielded the most accurate Tg values. In general, onset and midpoint DSC first scan and MDSC Tg values were similar, whereas onset and midpoint DSC rescan values were different. State diagrams of RHc and experimental temperature and Tg and %RH were compared. These state diagrams, though obtained via very different methods, showed relatively good agreement, confirming our hypothesis that water vapor sorption isotherms can be used to directly detect the glassy to rubbery transition. Practical Application: The food polymer science (FPS) approach, pioneered by Slade and Levine, is being successfully applied in the food industry for understanding, improving, and

  12. The glass transition, crystallization and melting in Au-Pb-Sb alloys

    Lee, M. C.; Allen, J. L.; Fecht, H. J.; Perepezko, J. H.; Ohsaka, K.

    1988-01-01

    The glass transition, crystallization and melting of Au(55)Pb(22.5)Sb(22.5) alloys have been studied by differential scanning calorimetry DSC. Crystallization on heating above the glass transition temperature Tg (45 C) begins at 64 C. Further crystallization events are observed at 172 C and 205 C. These events were found to correspond to the formation of the intermetallic compounds AuSb2, Au2Pb, and possibly AuPb2, respectively. Isothermal DSC scans of the glassy alloy above Tg were used to monitor the kinetics of crystallization. The solidification behavior and heat capacity in the glass-forming composition range were determined with droplet samples. An undercooling level of 0.3T(L) below the liquidus temperature T(L) was achieved, resulting in crystallization of different stable and metastable phases. The heat capacity C(P) of the undercooled liquid was measured over an undercooling range of 145 C.

  13. General crystal in prebiotic context

    Simon, I.

    1993-09-01

    General crystal is an extension of the crystal concept to any form of matter which exhibit neighbour structure determination. This extension makes many results of solid state physics applicable to heterogeneous matter. Among other it includes the description of phase transition from random to unique structure. The advantage of the general crystal approach is demonstrated on globular protein, on of the most important macromolecules of life, which are capable to adopt unique 3D structure spontaneously, regardless of the heterogeneous character of their chemical structure and conformation. It is suggested that the use of general crystal concept may help to find candidates among heterogeneous matters capable to spontaneous self-organization in the same way as crystallization results in unique structure of homogeneous matter, and to apply some of the results of solid state physics to describe the phase transition and other behaviour of this matter. (author). 10 refs

  14. Advances in nonlinear polymers and inorganic crystals, liquid crystals, and laser media

    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

  15. Non-local viscosity of polymer melts approaching their glassy state

    Puscasu, Ruslan; Todd, Billy; Daivis, Peter

    2010-01-01

    The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed...

  16. Positron Lifetime Study of the Transition from Glassy to Normal Liquid State for Two Phenyl Ethers

    Pethrick, R. A.; Jacobsen, F. M.; Mogensen, O. E.

    1980-01-01

    Positron lifetime measurements are reported as a function of temperature for bis[m-(m-phenoxyphenoxy)phenyl] ether and m-phenoxyphenyl-m-(m-phenoxyphenoxy)phenyl ether. The decay curves were analysed in terms of three lifetime components; two short lifetimes of typically 200 and 500 ps associated...

  17. Economic analysis of crystal growth in space

    Ulrich, D. R.; Chung, A. M.; Yan, C. S.; Mccreight, L. R.

    1972-01-01

    Many advanced electronic technologies and devices for the 1980's are based on sophisticated compound single crystals, i.e. ceramic oxides and compound semiconductors. Space processing of these electronic crystals with maximum perfection, purity, and size is suggested. No ecomonic or technical justification was found for the growth of silicon single crystals for solid state electronic devices in space.

  18. Effect of glassy carbon properties on the electrochemical deposition of platinum nano-catalyst and its activity for methanol oxidation

    SANJA TERZIC

    2007-02-01

    Full Text Available The effects of the properties of glassy carbon on the deposition of platinum particles and the electrocatalytic activity of platinum supported on glassy carbon (GC/Pt for methanol oxidation in alkaline and acidic solutions were studied. Platinum was potentiostatically deposited on two glassy carbon samples, thermally treated at different temperatures, which were either polished or anodicaly polarised in acid (GCOX-AC/Pt and in alkali (GCOX-AL/Pt. Anodic polarisation of glassy carbon, either in alkaline or acidic solution, enhances the activity of both types of GC/Pt electrodes for methanol oxidation. The activity of the catalysts follows the change in the properties of the glassy carbon support upon anodic treatment. The specific activity of the GCOX-AL/Pt electrode for this reaction in alkali is increased only a few times in comparison with the activity of the GC/Pt one. On the other hand, the specific activity of the GCOX-AC/Pt electrode for methanol oxidation in acid is about one order of magnitude higher than that of the GC/Pt electrode. The role of the substrate on the properties of catalyst is discussed in detail.

  19. Solid state structural investigations of the bis(chalcone) compound with single crystal X-ray crystallography, DFT, gamma-ray spectroscopy and chemical spectroscopy methods

    Yakalı, Gül; Biçer, Abdullah; Eke, Canel; Cin, Günseli Turgut

    2018-04-01

    A bis(chalcone), (2E,6E)-2,6-bis((E)-3phenylallidene)cyclohexanone, was characterized by 1H NMR, 13C NMR, FTIR, UV-Vis spectroscopy, gamma-ray spectroscopy and single crystal X- ray structural analysis. The optimized molecular structure of the compound is calculated using DFT/B3LYP with 6-31G (d,p) level. The calculated geometrical parameters are in good agreement with the experimental data obtained from our reported X-ray structure. The powder and single crystal compounds were gama-irradiated using clinical electron linear accelerator and 60Co gamma-ray source, respectively. Spectral studies (1H NMR, 13C NMR, FTIR and UV-Vis) of powder chalcone compound were also investigated before and after irradiation. Depending on the irradiation notable changes were observed in spectral features powder sample. Single crystal X-ray diffraction investigation shows that both unirradiated and irradiated single crystal samples crystallizes in a orthorhombic crystal system in the centrosymmetric space group Pbcn and exhibits an C-H..O intramolecular and intermolecular hydrogen bonds. The crystal packing is stabilised by strong intermolecular bifurcate C-H..O hydrogen bonds and π…π stacking interactions. The asymmetric unit of the title compound contains one-half of a molecule. The other half of the molecule is generated with (1-x,y,-3/2-z) symmetry operator. The molecule is almost planar due to having π conjugated system of chalcones. However, irradiated single crystal compound showed significant changes lattice parameters, crystal volume and density. According to results of gamma-ray spectroscopy, radioactive elements of powder compound which are 123Sb(n,g),124Sb,57Fe(g,p),56Mn, 55Mn(g,n), and 54Mn were determined using photoactivation analysis. However, the most intensive gamma-ray energy signals are 124Sb.

  20. Norepinephrine-modified glassy carbon electrode for the simultaneous determination of ascorbic acid and uric acid

    Zare, H.R.; Memarzadeh, F.; Ardakani, M. Mazloum; Namazian, M.; Golabi, S.M.

    2005-01-01

    The oxidation of norepinephrine (NE) on a preactivated glassy carbon electrode leads to the formation of a deposited layer of about 4.2 x 10 -10 mol cm -2 at the surface of the electrode. The electron transfer rate constant, k s , and charge transfer coefficient, α, for electron transfer between the electrode and immobilized NE film were calculated as 44 s -1 and 0.46, respectively. The NE-modified glassy carbon electrode exhibited good electrocatalytic properties towards ascorbic acid (AA) oxidation in phosphate buffer (pH 7.0) with an overpotential of about 475 mV lower than that of the bare electrode. The electrocatalytic response was evaluated by cyclic voltammetry, chronoamperometry, amperometry and rotating disk voltammetry. The overall number of electrons involved in the catalytic oxidation of AA and the number of electrons involved in the rate-determining step are 2 and 1, respectively. The rate constant for the catalytic oxidation of AA was evaluated by RDE voltammetry and an average value of k h was found to be 8.42 x 10 3 M -1 s -1 . Amperometric determination of AA in stirred solution exhibits a linear range of 2.0-1300.0 μM (correlation coefficient 0.9999) and a detection limit of 0.076 μM. The precision of amperometry was found to be 1.9% for replicate determination of a 49.0 μM solution of AA (n = 6). In differential pulse voltammetric measurements, the NE-modified glassy carbon electrode can separate the AA and uric acid (UA) signals. Ascorbic acid oxidizes at more negative potential than UA. Also, the simultaneous determination of UA and AA is achieved at the NE-modified electrode

  1. The electrocatalytical reduction of m-nitrophenol on palladium nanoparticles modified glassy carbon electrodes

    Shi Qiaofang; Diao Guowang

    2011-01-01

    Highlights: ► The deposition of palladium on a GC electrode was performed by cyclic voltammetry. ► SEM images showed palladium nanoparticles deposited on a glassy carbon (GC) electrode. ► The Pd/GC electrode can effectively catalyze m-nitrophenol in aqueous media. ► The reduction of m-nitrophenol on the Pd/GC electrode depended on potential and pH. ► XPS spectra of the Pd/GC electrodes demonstrated the presence of palladium. - Abstract: Palladium nanoparticles modified glassy carbon electrodes (Pd/GC) were prepared via the electrodeposition of palladium on a glassy carbon (GC) electrode using cyclic voltammetry in different sweeping potential ranges. The scanning electron microscope images of palladium particles on the GC electrodes indicate that palladium particles with diameters of 20–50 nm were homogeneously dispersed on the GC electrode at the optimal deposition conditions, which can effectively catalyze the reduction of m-nitrophenol in aqueous solutions, but their catalytic activities are strongly related to the deposition conditions of Pd. The X-ray photoelectron spectroscopy spectra of the Pd/GC electrode confirmed that 37.1% Pd was contained in the surface composition of the Pd/GC electrode. The cyclic voltammograms of the Pd/GC electrode in the solution of m-nitrophenol show that the reduction peak of m-nitrophenol shifts towards the more positive potentials, accompanied with an increase in the peak current compared to the bare GC electrode. The electrocatalytic activity of the Pd/GC electrode is affected by pH values of the solution. In addition, the electrolysis of m-nitrophenol under a constant potential indicates that the reduction current of m-nitrophenol on the Pd/GC electrode is approximately 20 times larger than that on the bare GC electrode.

  2. Growth and characterization of nonlinear optical single crystals: bis ...

    Administrator

    molecules have received great attention for NLO applica- tions. However ... Figure 3. Single crystals of bis(cyclohexylammonium) terephthalate (crystal a) and cyclohexylammo- .... from ground state to higher energy states.17 Optical window ...

  3. An anomalous X-ray scattering study on glassy superionic conductor (As2Se3)1-x(CuI) x using a third-generation synchrotron radiation facility

    Usuki, T.; Hosokawa, S.; Berar, J.-F.

    2005-01-01

    Anomalous X-ray scattering experiments on glassy superionic conductor (As 2 Se 3 ) 0.4 (CuI) 0.6 were performed at energies close to the As, Se, and Cu K edges using a new detecting system and a third-generation synchrotron radiation facility. The detecting system was composed of a graphite-crystal energy-analyzer and a NaI(Tl) detector on a 40-cm-long arm. The overall energy resolution was about 60 eV, which can discriminate the elastic signal from the fluorescence and Compton contributions, and a sufficient number of scattered X-ray photons were acquired within a reasonable data collection time. The differential structure factors, Δ i S(Q), were obtained from the detailed analyses, indicating that Δ As S(Q) and Δ Se S(Q) are similar to those of glassy As 2 Se 3 except at the prepeak position, and Δ Cu S(Q) that in liquid CuI. From these findings, it can be concluded that a pseudo-binary mixture of the As 2 Se 3 network matrix and CuI-related conduction pathways would be a good structural model for this superionic glass

  4. A nanoscale characterisation of extended defects in glassy-like As{sub 2}Se{sub 3} semiconductors with PAL technique

    Shpotyuk, O.; Kovalskiy, A.; Filipecki, J.; Hyla, M.; Kozdras, A

    2003-12-31

    A meaningful interpretation of positron lifetime characteristics for glassy-like g-As{sub 2}Se{sub 3} is developed taking into account calculations of Jensen et al. (J. Non-Cryst. Solids 170 (1994) 57) for positrons trapped by free-volume extended defects in orthorhombic As{sub 2}Se{sub 3} and void volume distribution for 146-atoms layer-biased model of amorphous As{sub 2}Se{sub 3} presented by Popescu (J. Non-Cryst. Solids 35-36 (1980) 549). The obtained results are compared for samples having different thermal pre-history. Two groups of experimental results with close lifetime characteristics are distinguished for each of the investigated samples. This feature is explained in terms of average positron lifetime by applying two-state positron trapping model for mathematical treatment of the obtained spectra.

  5. Atomic structure of glassy Mg60Cu30Y10 investigated with EXAFS, x-ray and neutron diffraction, and reverse Monte Carlo simulations

    Jovari, P.; Saksl, K.; Pryds, Nini

    2007-01-01

    Short range order of amorphous Mg60Cu30Y10 was investigated by x-ray and neutron diffraction, Cu and Y K-edge x-ray absorption fine structure measurements, and the reverse Monte Carlo simulation technique. We found that Mg-Mg and Mg-Cu nearest neighbor distances are very similar to values found...... in crystalline Mg2Cu. The Cu-Y coordination number is 1.1 +/- 0.2, and the Cu-Y distance is similar to 4% shorter than the sum of atomic radii, suggesting that attraction between Cu and Y plays an important role in stabilizing the glassy state. Thermal stability and structure evolution upon annealing were also...

  6. Non-Gaussian nature of glassy dynamics by cage to cage motion

    Vorselaars, Bart; Lyulin, Alexey V.; Michels, M. A. J.; Karatasos, K.

    2007-01-01

    A model based on a single Brownian particle moving in a periodic effective field is used to understand the non-Gaussian dynamics in glassy systems of cage escape and subsequent recaging, often thought to be caused by a heterogeneous glass structure. The results are compared to molecular-dynamics simulations of systems with varying complexity: quasi-two-dimensional colloidlike particles, atactic polystyrene, and a dendritic glass. The model nicely describes generic features of all three topologically different systems, in particular around the maximum of the non-Gaussian parameter. This maximum is a measure for the average distance between cages

  7. Electronic Transport Behaviors due to Charge Density Waves in Ni-Nb-Zr-H Glassy Alloys

    Fukuhara, Mikio; Umemori, Yoshimasa

    2013-11-01

    The amorphous Ni-Nb-Zr-H glassy alloy containing subnanometer-sized icosahedral Zr5 Nb5Ni3 clusters exhibited four types of electronic phenomena: a metal/insulator transition, an electric current-induced voltage oscillation (Coulomb oscillation), giant capacitor behavior and an electron avalanche with superior resistivity. These findings could be excluded by charge density waves that the low-dimensional component of clusters, in which the atoms are lined up in chains along the [130] direction, plays important roles in various electron transport phenomena.

  8. Polymorphic ethyl alcohol as a model system for the quantitative study of glassy behaviour

    Fischer, H E; Schober, H; Gonzalez, M A [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France); Bermejo, F J; Fayos, R; Dawidowski, J [Consejo Superior de Investigaciones Cientificas, Madrid (Spain); Ramos, M A; Vieira, S [Universidad Autonoma de Madrid (Spain)

    1997-04-01

    The nearly universal transport and dynamical properties of amorphous materials or glasses are investigated. Reasonably successful phenomenological models have been developed to account for these properties as well as the behaviour near the glass-transition, but quantitative microscopic models have had limited success. One hindrance to these investigations has been the lack of a material which exhibits glass-like properties in more than one phase at a given temperature. This report presents results of neutron-scattering experiments for one such material ordinary ethyl alcohol, which promises to be a model system for future investigations of glassy behaviour. (author). 8 refs.

  9. Voltammetric behavior of sedative drug midazolam at glassy carbon electrode in solubilized systems

    Jain, Rajeev; Yadav, Rajeev Kumar

    2012-01-01

    Redox behavior of midazolam was studied at a glassy carbon electrode in various buffer systems, supporting electrolytes and pH using differential pulse, square-wave and cyclic voltammetry. Based on its reduction behavior, a direct differential pulse voltammetric method has been developed and validated for the determination of midazolam in parenteral dosage. Three well-defined peaks were observed in 0.1% SLS, BrittonâRobinson (BR) buffer of pH 2.5. The effect of surfactants like sodium lauryl ...

  10. Voltammetric behavior of sedative drug midazolam at glassy carbon electrode in solubilized systems

    Jain, Rajeev; Yadav, Rajeev Kumar

    2011-01-01

    Redox behavior of midazolam was studied at a glassy carbon electrode in various buffer systems, supporting electrolytes and pH using differential pulse, square-wave and cyclic voltammetry. Based on its reduction behavior, a direct differential pulse voltammetric method has been developed and validated for the determination of midazolam in parenteral dosage. Three well-defined peaks were observed in 0.1% SLS, Britton–Robinson (BR) buffer of pH 2.5. The effect of surfactants like sodium lauryl ...

  11. Electrocatalytic performance of Pu(IV)/Pu(III) redox reaction at graphene modified glassy carbon electrode

    Gupta, Ruma; Gamare, J.S.; Kamat, J.V.; Aggarwal, S.K.

    2014-01-01

    In this paper we explore the analytical perspectives of graphene modified electrode utilising commercially available graphene, which is well characterised, completely free from surfactants and has not been purposely oxidised or treated. We compare and critically contrast the electro-analytical performance of graphene modified glassy carbon electrodes (Gr/GC) with that of unmodified GC electrode towards Pu(IV)/Pu(III) redox reaction, monitoring of which has considerable importance in a plethora of areas where electrochemistry is conveniently and beneficially utilised for determination of nuclear fuels

  12. Helium crystals

    Lipson, S.G.

    1987-01-01

    Hexagonal close-packed helium crystals in equilibrium with superfluid have been found to be one of the few systems in which an anisotropic solid comes into true thermodynamic equilibrium with its melt. The discovery of roughening transitions at the liquid-solid interface have shown this system to be ideal for the study of the statistical mechanics of interface structures. We describe the effect of roughening on the shape and growth of macroscopic crystals from both the theoretical and experimental points of view. (author)

  13. 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

    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)

  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

    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. ELECTROCHEMICAL DETERMINATION OF ETHANOL, 2- PROPANOL AND 1-BUTANOL ON GLASSY CARBON ELECTRODE MODIFIED WITH NICKEL OXIDE FILM

    A. Benchettara

    2014-12-01

    Full Text Available In this work, we present the modification of a glassy carbon electrode with nickel oxide film which is performed in two successive steps. In the first one, the electrochemical deposition of metallic nickel on the glassy carbon electrode (GCE is achieved in 0.1M boric acid; in the second step, the metallic deposit is anodically oxidized in 0.1M NaOH. These two operations were carried out in a three electrode cell with a filiform platinum auxiliary electrode, a SCE as potential reference and a working microelectrode of modified glassy carbon with nickel oxides. This electrode is characterized by several electrochemical techniques and is used for the catalytic determination of ethanol, 2-propanol and 1-butanol in 0.1 M NaOH. The proposed chemical mechanism shows that NiO2 acts as a mediator.

  16. ELECTROCHEMICAL DETERMINATION OF ETHANOL, 2- PROPANOL AND 1-BUTANOL ON GLASSY CARBON ELECTRODE MODIFIED WITH NICKEL OXIDE FILM

    A. Benchettara

    2015-07-01

    Full Text Available In this work, we present the modification of a glassy carbon electrode with nickel oxide film which is performed in two successive steps. In the first one, the electrochemical deposition of metallic nickel on the glassy carbon electrode (GCE is achieved in 0.1M boric acid; in the second step, the metallic deposit is anodically oxidized in 0.1M NaOH. These two operations were carried out in a three electrode cell with a filiform platinum auxiliary electrode, a SCE as potential reference and a working microelectrode of modified glassy carbon with nickel oxides. This electrode is characterized by several electrochemical techniques and is used for the catalytic determination of ethanol, 2-propanol and 1-butanol in 0.1 M NaOH. The proposed chemical mechanism shows that NiO2 acts as a mediator.

  17. Selective substitution in orbital domains of a low doped manganite: an investigation from Griffiths phenomenon and modification of glassy features

    Mukherjee, K; Banerjee, A

    2009-01-01

    An effort is made to study the contrast in magnetic behavior resulting from minimal disorder introduced by substitution of 2.5% Ga or Al in Mn site of La 0.9 Sr 0.1 MnO 3 . It is considered that Ga or Al selectively create disorder within the orbital domains or on its walls, causing enhancement of Griffiths phase (GP) singularity for the former and disappearance of it in the latter case. It is shown that Ga replaces Mn 3+ , which is considered to be concentrated within the domains, whereas Al replaces Mn 4+ , which is segregated on the hole-rich walls, without causing any significant effect on structure or ferromagnetic transition temperatures. Thus, it is presumed that the effect of disorder created by Ga extends across the bulk of the domain having correlation over a similar length scale, resulting in enhancement of the GP phenomenon. In contrast, the effect of disorder created by Al remains restricted to the walls, resulting in the modification of the dynamics arising from the domain walls and suppresses the GP. Moreover, contrasting features are observed in the low temperature region of the compounds; a re-entrant spin-glass-like behavior is observed in the Ga-doped sample, while the observed characteristics for the Al-doped sample are ascribed only to modified domain wall dynamics with the absence of any glassy phase. Distinctive features in third-order susceptibility measurements reveal that the magnetic ground state of the entire series comprises of orbital domain states. These observations bring out the role of the nature of disorder on the GP phenomenon and also reconfirms the character of self-organization in low doped manganites.

  18. Pressure sensor using liquid crystals

    Parmar, Devendra S. (Inventor); Holmes, Harlan K. (Inventor)

    1994-01-01

    A pressure sensor includes a liquid crystal positioned between transparent, electrically conductive films (18 and 20), that are biased by a voltage (V) which induces an electric field (E) that causes the liquid crystal to assume a first state of orientation. Application of pressure (P) to a flexible, transparent film (24) causes the conductive film (20) to move closer to or farther from the conductive film (18), thereby causing a change in the electric field (E'(P)) which causes the liquid crystal to assume a second state of orientation. Polarized light (P.sub.1) is directed into the liquid crystal and transmitted or reflected to an analyzer (A or 30). Changes in the state of orientation of the liquid crystal induced by applied pressure (P) result in a different light intensity being detected at the analyzer (A or 30) as a function of the applied pressure (P). In particular embodiments, the liquid crystal is present as droplets (10) in a polymer matrix (12) or in cells (14) in a polymeric or dielectric grid (16) material in the form of a layer (13) between the electrically conductive films (18 and 20). The liquid crystal fills the open wells in the polymer matrix (12) or grid (16) only partially.

  19. Diazonium Chemistry for the Bio-Functionalization of Glassy Nanostring Resonator Arrays

    Wei Zheng

    2015-07-01

    Full Text Available Resonant glassy nanostrings have been employed for the detection of biomolecules. These devices offer high sensitivity and amenability to large array integration and multiplexed assays. Such a concept has however been impaired by the lack of stable and biocompatible linker chemistries. Diazonium salt reduction-induced aryl grafting is an aqueous-based process providing strong chemical adhesion. In this work, diazonium-based linker chemistry was performed for the first time on glassy nanostrings, which enabled the bio-functionalization of such devices. Large arrays of nanostrings with ultra-narrow widths down to 10 nm were fabricated employing electron beam lithography. Diazonium modification was first developed on SiCN surfaces and validated by X-ray photoelectron spectroscopy. Similarly modified nanostrings were then covalently functionalized with anti-rabbit IgG as a molecular probe. Specific enumeration of rabbit IgG was successfully performed through observation of downshifts of resonant frequencies. The specificity of this enumeration was confirmed through proper negative control experiments. Helium ion microscopy further verified the successful functionalization of nanostrings.

  20. Diazonium Chemistry for the Bio-Functionalization of Glassy Nanostring Resonator Arrays.

    Zheng, Wei; Du, Rongbing; Cao, Yong; Mohammad, Mohammad A; Dew, Steven K; McDermott, Mark T; Evoy, Stephane

    2015-07-30

    Resonant glassy nanostrings have been employed for the detection of biomolecules. These devices offer high sensitivity and amenability to large array integration and multiplexed assays. Such a concept has however been impaired by the lack of stable and biocompatible linker chemistries. Diazonium salt reduction-induced aryl grafting is an aqueous-based process providing strong chemical adhesion. In this work, diazonium-based linker chemistry was performed for the first time on glassy nanostrings, which enabled the bio-functionalization of such devices. Large arrays of nanostrings with ultra-narrow widths down to 10 nm were fabricated employing electron beam lithography. Diazonium modification was first developed on SiCN surfaces and validated by X-ray photoelectron spectroscopy. Similarly modified nanostrings were then covalently functionalized with anti-rabbit IgG as a molecular probe. Specific enumeration of rabbit IgG was successfully performed through observation of downshifts of resonant frequencies. The specificity of this enumeration was confirmed through proper negative control experiments. Helium ion microscopy further verified the successful functionalization of nanostrings.