WorldWideScience

Sample records for f-electron state properties

  1. [Physical properties of f electron systems]: Progress report, February 1987-January 1988

    International Nuclear Information System (INIS)

    Riseborough, P.S.

    1988-01-01

    This paper discusses the progress in research on f electron systems. The major properties discussed in this paper are: magnetic properties, transport properties, heavy fermion superconductivity, and photo-emission spectroscopy

  2. Dependence of actinide solid state chemistry and physics on the changing role of the 5f-electrons

    International Nuclear Information System (INIS)

    Haire, R.G.

    1992-01-01

    It is well established that the chemistry, physics, and material science of the actinides do not reflect perfectly a series of elements with a regular increase in the number of localized f-electrons (f-orbital occupation). This situation results from the changing role of the 5f-electrons across the series. Therefore, a full understanding of the properties of the individual elements necessitates an understanding of the series as a whole. The changing influence of the f-electrons is reflected in many of the actinide's properties. Systematic comparisons of selected high-temperature and high-pressure behaviors of actinide materials are discussed to demonstrate the variable nature and roles of the f-electrons, as well as their susceptibility to experimental parameters. (author)

  3. Dependence of actinide solid state chemistry and physics on the changing role of the 5f-electrons

    International Nuclear Information System (INIS)

    Haire, R.G.

    1992-01-01

    It is well established that the chemistry, physics, and material science of the actinides do not reflect perfectly a series of elements with a regular increase in the number of localized f-electrons (f-orbital occupation). This situation results from the hanging role of the 5f-electrons across the series. Therefore, a full understanding of the properties of the individual elements necessitates an understanding of the series as a whole. The changing influence of the f-electrons is reflected in many of the actinide's properties. Systematic comparisons of selected high-temperature and high-pressure behaviors of actinide materials are discussed to demonstrate the variable nature and roles of the f-electrons, as well as their susceptibility to experimental parameters

  4. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    International Nuclear Information System (INIS)

    Richard T. Scalettar; Warren E. Pickett

    2005-01-01

    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals

  5. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Scalettar, Richard T.; Pickett, Warren E.

    2004-07-01

    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (1) Mott transitions in transition metal oxides, (2) magnetism in half-metallic compounds, and (3) large volume-collapse transitions in f-band metals.

  6. High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Richard T. Scalettar; Warren E. Pickett

    2005-08-02

    This project involves research into the thermodynamic properties of f-electron metals, transition metal oxides, and half-metallic magnets at high pressure. These materials are ones in which the changing importance of electron-electron interactions as the distance between atoms is varied can tune the system through phase transitions from localized to delocalized electrons, from screened to unscreened magnetic moments, and from normal metal to one in which only a single spin specie can conduct. Three main thrusts are being pursued: (i) Mott transitions in transition metal oxides, (ii) magnetism in half-metallic compounds, and (iii) large volume-collapse transitions in f-band metals.

  7. Electronic and magnetic properties of UPdSn: the itinerant 5f electrons approach

    CERN Document Server

    Sandratskii, L M

    1997-01-01

    Density functional theory, modified to include spin-orbit coupling and an effective orbital field to simulate Hound's second rule, is applied to investigate the magnetic structure and electronic properties of the compound Upends. Our theoretical results are in overall good agreement with experiment. Thus both theory and experiment find the magnetic structure of Upends to be non collinear, the calculated magnetic U-moments being in very good agreement with the measurements. Also, the calculated density of states is found to simulate closely the photoemission spectrum and the very low experimental value of 5 mJ mol sup - sup 1 K sup - sup 2 for the specific heat gamma is reproduced reasonably well by the calculated value of 7.5 mJ mol sup - sup 1 K sup - sup 2. Furthermore, the interconnection of the magnetic structure with the crystal structure is investigated. Here theory and experiment agree concerning the planar non collinear antiferromagnetic configuration in the orthorhombic crystal structure and for the ...

  8. Plutonium oxychalcogenides Pu2O2X (X=O, S, Se, Te) crystal chemistry, magnetic and electrical properties. 5f electrons delocalization

    International Nuclear Information System (INIS)

    Costantini, Jean-Marc.

    1980-05-01

    We have studied the influence of the chalcogen X on the bonding and on the magnetic and electrical properties of the oxychalcogenides Pu 2 O 2 X. These compounds are isostructural with hexagonal La 2 O 3 for X=O, S, Se and with tetragonal La 2 O 2 Te for X=Te. Comparison of Nd 2 O 2 X and Pu 2 O 2 X cell volumes showed that plutonium crystal radius decreases from Pu 2 O 3 through Pu 2 O 2 Te with increasing 5f electrons delocalization and 5f-np overlap. Superexchange interactions through O 2- and X 2- were thought to be responsible for the observed antiferromagnetic ordering. Neel temperatures increase from Pu 2 O 3 through Pu 2 O 2 Te showing that these interactions and subsequent 5f-np covalency are strengthened as chalcogen electronegativity decreases. Hexagonal Pu 2 O 3 is an insulator while the other compounds are semi-conductors with energy gaps around 0.6 eV which were interpreted as the separation between the 6d-7s conduction band and the np valence band. The localized 5f states were located just below the np band, partially overlapping it [fr

  9. X-ray spectral study of the Th6p,5f electron states in ThO2 and ThF4

    International Nuclear Information System (INIS)

    Teterin, Y.A.; Nikitin, A.S.; Teterin, A.Y.; Ivanov, K.E.; Utkin, I.O.; Nerehov, V.A.; Ryzhkov, M.V.; Vukchevich, I.J.

    2002-01-01

    The study of the Th6p,5f electron states in Th, ThO 2 and ThF was carried out on the basis of the X-ray photoelectron fine spectral structure parameters in the binding energy range of 0-∼ 1000 eV, X-ray O 4,5 (Th) emission spectra of the shallow (0-∼50 eV) electrons and results of theoretical calculations. As a result, despite the absence of the Th5f electrons in thorium atoms, the Th5f atomic orbitals were established to participate in the formation of molecular orbitals in thorium dioxide and tetrafluoride. In the MO LCAO approximation this allowed to suggest the possible existence of filled Th5f electronic states in thorium compounds. On the basis of the X-ray O 4,5 (Th) emission spectral structure parameters the effective formation of the inner valence molecular orbitals in the studied compounds was confirmed. (authors)

  10. XPS study of the Ln 5p,4f-electronic states of lanthanides in Ln2O3

    International Nuclear Information System (INIS)

    Teterin, Yu.A.; Teterin, A.Yu.; Utkin, I.O.; Ryzhkov, M.V.

    2004-01-01

    The present work analyses the fine structure of the low binding energy (E b , 0-50 eV) X-ray photoelectron spectra XPS of lanthanide (La through Lu excepted for Pm) oxides, and compares it with the non-relativistic X α -discrete variation calculation results for the clusters reflecting the close environment of lanthanides in oxides. The obtained results show that the Ln 4f n -electrons of lanthanides in oxides by their spectral parameters have much in common with the M 3d-electrons in oxides of the 3d-transition metals. According to these data, the Ln 4f shell of lanthanides is rather outer and can participate in the formation of molecular orbitals in compounds. The XPS data at least do not contradict the theoretical suggestion about the significant participation of the Ln 4f-electrons in formation of the molecular orbitals in the studied materials. The spectra in the Ln 5p-O 2s binding energy region of the studied lanthanide oxides were found to exhibit the complicated structure instead of separated peaks due to the electrons of the Ln 5p 3/2,5/2 and O 2s atomic shells. Taking into account the energy differences between the inner (Ln 3d) and outer (Ln 5p) electronic shells for some metallic lanthanides and their oxides, the Ln 5p atomic shells were shown to participate in the formation of the inner valence molecular orbitals (IVMO). That agrees qualitatively with the calculation results

  11. Role of 4 f electrons in crystallographic and magnetic complexity

    Science.gov (United States)

    Pathak, Arjun K.; Paudyal, Durga; Mudryk, Yaroslav; Pecharsky, Vitalij K.

    2017-08-01

    The functionality of many magnetic materials critically depends on first manipulating and then taking advantage of highly nonlinear changes of properties that occur during phase transformations. Unique to lanthanides, property-defining 4 f electrons are highly localized and, as commonly accepted, play little to no role in chemical bonding. Yet here we demonstrate that the competition between 4 f -electron energy landscapes of Dy (4 f9 ) and Er (4 f11 ) is the key element of the puzzle required to explain complex interplay of magnetic and structural features observed in E r1 -xD yxC o2 , and likely many other mixed lanthanide systems. Unlike the parent binaries—DyC o2 and ErC o2 —E r1 -xD yxC o2 exhibits two successive magnetostructural transitions: a first order at TC, followed by a second order in the ferrimagnetically ordered state. Supported by first-principles calculations, our results offer new opportunities for targeted design of magnetic materials with multiple functionalities, and also provide a critical insight into the role of 4 f electrons in controlling the magnetism and structure of lanthanide intermetallics.

  12. The f electron collapse revisited

    International Nuclear Information System (INIS)

    Bennett, B.I.

    1987-03-01

    A reexamination of the collapse of 4f and 5f electrons in the lanthanide and actinide series is presented. The calculations show the well-known collapse of the f electron density at the thresholds of these series along with an f 2 collapse between thorium and protactinium. The collapse is sensitive to the choice of model for the exchange-correlation potential and the behavior of the potential at large radius

  13. Anomalous enhancement of nuclear spin relaxation rates of 109Ag and 115In at low temperatures in cubic Γ3 ground-state system PrAg2In. First observation of octupole fluctuations of f-electrons

    International Nuclear Information System (INIS)

    Tanida, Hiroshi; Takagi, Shigeru; Suzuki, Hiroyuki S.; Satoh, Isamu; Komatsubara, Takemi

    2006-01-01

    Microscopic properties have been investigated on a cubic nonmagnetic non-Kramers Γ 3 doublet ground-state (GS) system PrAg 2 In by complementarily utilizing 115 In (I=9/2) and 109 Ag (I=1/2) NMR with particular emphasis on the low-frequency (low-ω) dipole and multipole (octupole and/or quadrupole) fluctuations of f-electrons as probed by the nuclear spin relaxation rates 1/ 115 T 1 and 1/ 109 T 1 . We show that 1/ 115 T 1 and 1/ 109 T 1 are anomalously enhanced respectively below≅50 K and ≅100K over those expected for the low-ω dipole fluctuations of the excited magnetic Γ 4 and Γ 5 states in a simple crystalline-electric-field model for a Γ 3 GS system. By comparing 1/( 115 T 1 T) and 1/( 109 T 1 T) and also by considering an invariant form of the hyperfine and/or quadrupole couplings of Γ 3 octupole and/or quadrupole moments with Ag/In nuclear dipole and/or quadrupole moments, we show that Γ 3 octupole fluctuations dominate 1/ 109 T 1 and quadrupole ones can possibly contribute to 1/ 115 T 1 at low T. (author)

  14. Photoemission for f-electron materials

    International Nuclear Information System (INIS)

    Huang, Youngsea.

    1989-01-01

    The dissertation investigates the interpretation of photoemission from f-electron materials. The authors also discuss unusual room temperature solid-state reactions in Yb-Cu films that they discovered. They show the importance of considering the entire system in the photoemission process and that photoemission actually measures the energy difference between total energies of the initial state and the final excited state of the whole system. They point out misconceptions in the current interpretation of photoemission from mixed valent materials. Their results on Yb-Cu system and other high-resolution photoemission measurements on mixed valent Yb-based materials show that the 4f feature is not pinned at the Fermi level though there is a 4f 14 (6s5d) 2 and 4f 13 (6s5d) 3 configuration degeneracy in the ground state. They suggest that this non-pinning is a general phenomenon due to the fact that the final state is not completely relaxed in the photoemission process. They discuss the current competing models of photoemission from Ce-based materials and show problems with their interpretations. As 4f electrons are more itinerant for Ce and Yb, they give a delocalized-localized kind of interpretation for 4f levels of Ce based materials. They employ the Ce-Yb analogy (electron-hole inversion and thereby an energy scale inversion) with the impurity model to photoemission from Yb-based materials and point out contradictory results on YbAl 3 in the literature. In their results on the Yb-Cu system, where the Yb valence varies from ∼3 to ∼2.2, they do not observe the Kondo resonance within the limits of their experimental resolution. They suggest that to date no Kondo resonance has been observed, and speculate either that the impurity model is inadequate for Yb-based materials or that photoemission is unable to detect a Kondo resonance

  15. Influence of 5f electrons on structure and bonding in the actinide-hydrogen intermetallics

    International Nuclear Information System (INIS)

    Ward, J.W.

    1984-01-01

    Complexa phases form for the Th + H and U + H systems that are found with no other metals. In the Pa + H system, simple bcc C15 Laves and A15 phases can form, dependent on temperature and composition. The phase transformations appear to b magnetically driven, as a resutl of the decoupling of the metallic 5f electron bonding that occurs during hydriding; the C15 phases contain two kinds of Pa atoms-the one sublattice being still fully f-bonded and the other magnetic. This is a unique situation in solid state physics which defies a valence description. A similar situation obtains for A15 β - UH 3 structure. The parent metals themselves exhibit electronegativities not unlike those of the mid-3d transition metals (e.g., Fe) because the valence electrons re tied up in metallic bonding. However, under the driving force for hydriding, the lattices can open up, decoupling the f-bonding and inducing magnetism. The systems then aggressively form very stable hydrides typical of highly-electropositive metals. Beyond uranium the trivalent metallic state is favored and rare-earth-like hydrides are found for Np + H and Pu + H. Nevertheless, the solid-state and transport properties are markedly different than for the rare-earth hydrides, showing that the latent influence of the 5f electrons is still strong

  16. Adler Award Lecture: Fermi-Liquid Instabilities in Strongly Correlated f-Electron Materials.^*

    Science.gov (United States)

    Maple, M. Brian

    1996-03-01

    Strongly correlated f-electron materials are replete with novel electronic states and phenomena ; e. g. , a metallic ``heavy electron'' state with a quasiparticle effective mass of several hundred times the free electron mass, anisotropic superconductivity with an energy gap that may vanish at points or along lines on the Fermi surface, the coexistence of superconductivity and antiferromagnetism over different parts of the Fermi surface, multiple superconducting phases in the hyperspace of chemical composition, temperature, pressure, and magnetic field, and an insulating phase, in so-called ``hybridization gap semiconductors'' or ``Kondo insulators'', with a small energy gap of only a few meV. During the last several years, a new low temperature non-Fermi-liquid (NFL) state has been observed in a new class of strongly correlated f-electron materials which currently consists of certain Ce and U intermetallics into which a nonmagnetic element has been substituted.(M. B. Maple et al./) , J. Low Temp. Phys. 99 , 223 (1995). The Ce and U ions have partially-filled f-electron shells and carry magnetic dipole or electric quadrupole moments which interact with the spins and charges of the conduction electrons and can participate in magnetic or quadrupolar ordering at low temperatures. The physical properties of these materials exhibit weak power law or logarithmic divergences in temperature and suggest the existence of a critical point at T=0 K. Possible origins of the 0 K critical point include an unconventional moment compensation process, such as a multichannel Kondo effect, and fluctuations of the order parameter in the vicinity of a 0 K second order phase transition. In some systems, such as Y_1-xU_xPd 3 and U_1-xTh_xPd _2Al 3 , the NFL characteristics appear to be single ion effects since they persist to low concentrations of f-moments, whereas in other systems, such as CeCu _5.9Au _0.1 , the NFL behavior seems to be associated with interactions between the f

  17. f-electron systems: pushing band theory

    International Nuclear Information System (INIS)

    Koelling, D.D.

    1991-01-01

    The f-electron orbitrals have always been the ''incomplete atomic shells acting as local moments, and weakly interacting with the remaining electronic structure'' in the minds of most people. So examining them using a band theory where one views them as itinerant was once - and to some extent even today still is - considered with some skepticism. Nonetheless, a very significant community has successfully utilized band theory as a probe of the electronic structure of the appropriate actinides and rare earths. Those people actually using the approach would be the first to declare that it is not the whole solution. Instead, one is pushing and even exceeding its limit of applicability. However, the apropriate procedure is to push the model consistently to its limits, patch where possible, and then look to see where discrepancies remain. I propose to offer a selected review of past developments (emphasizing the career to data of A.J. Freeman in this area), offer a list of interesting puzzles for the future, and then make some guesses as to the techniques one might want to use. (orig.)

  18. On the importance of local orbitals using second energy derivatives for d and f electrons

    Science.gov (United States)

    Karsai, Ferenc; Tran, Fabien; Blaha, Peter

    2017-11-01

    The all-electron linearized augmented plane wave (LAPW) methods are among the most accurate to solve the Kohn-Sham equations of density functional theory for periodic solids. In the LAPW methods, the unit cell is partitioned into spheres surrounding the atoms, inside which the wave functions are expanded into spherical harmonics, and the interstitial region, where the wave functions are expanded in Fourier series. Recently, Michalicek et al. (2013) reported an analysis of the so-called linearization error, which is inherent to the basis functions inside the spheres, and advocated the use of local orbital basis functions involving the second energy derivative of the radial part (HDLO). In the present work, we report the implementation of such basis functions into the WIEN2k code, and discuss in detail the improvement in terms of accuracy. From our tests, which involve atoms from the whole periodic table, it is concluded that for ground-state properties (e.g., equilibrium volume) the use of HDLO is necessary only for atoms with d or f electrons in the valence and large atomic spheres. For unoccupied states which are not too high above the Fermi energy, HDLO systematically improve the band structure, which may be of importance for the calculation of optical properties.

  19. 6. Prague colloquium on f-electron systems - PCFES6. Program and abstract booklet

    International Nuclear Information System (INIS)

    2002-07-01

    The 6. Prague Colloquium on f-Electron Systems, held in July 2002, was focused on topics of the current research of electronic structure and material properties of lanthanide and actinide based systems (including magnetic properties and superconductivity); several contributions on transition-metal physics were also included. Altogether 44 lectures and 50 posters were presented. All 94 presentations have been input to INIS. (A.K.)

  20. f-electron-nuclear hyperfine-coupled multiplets in the unconventional charge order phase of filled skutterudite PrRu4P12

    International Nuclear Information System (INIS)

    Aoki, Yuji; Namiki, Takahiro; Saha, Shanta R.; Sato, Hideyuki; Tayama, Takashi; Sakakibara, Toshiro; Shiina, Ryousuke; Shiba, Hiroyuki; Sugawara, Hitoshi

    2011-01-01

    The filled skutterudite PrRu 4 P 12 is known to undergo an unconventional charge order phase transition at 63 K, below which two sublattices with distinct f-electron crystalline-electric-field ground states are formed. In this paper, we study experimentally and theoretically the properties of the charge order phase at very low temperature, particularly focusing on the nature of the degenerate triplet ground state on one of the sublattices. First, we present experimental results of specific heat and magnetization measured with high quality single crystals. In spite of the absence of any symmetry breaking, the specific heat shows a peak structure at T p =0.30 K in zero field; it shifts to higher temperatures as the magnetic field is applied. In addition, the magnetization curve has a remarkable rounding below 1 T. Then, we study the origin of these experimental findings by considering the hyperfine interaction between 4f electron and nuclear spin. We demonstrate that the puzzling behaviors at low temperatures can be well accounted for by the formation of 4f-electron-nuclear hyperfine-coupled multiplets, the first thermodynamical observation of its kind. (author)

  1. Role of 5f electrons in the structural stability of light actinide (Th-U) mononitrides under pressure.

    Science.gov (United States)

    Modak, P; Verma, Ashok K

    2016-03-28

    Pressure induced structural sequences and their mechanism for light actinide (Th-U) mononitrides were studied as a function of 5f-electron number using first-principles total energy and electronic structure calculations. Zero pressure lattice constants, bulk module and C11 elastic module vary systematically with 5f-electron number implying its direct role on crystal binding. There is a critical 5f-electron number below which the system makes B1-B2 and above it B1-R3̄m-B2 structural sequence under pressure. Also, the B1-B2 transition pressure increases with increasing 5f-electron number whereas an opposite trend is obtained for the B1-R3̄m transition pressure. The ascending of N p anti-bonding states through the Fermi level at high pressure is responsible for the structural instability of the system. Above the critical 5f-electron number in the system a narrow 5f-band occurs very close to the Fermi level which allows the system to lower its symmetry via band Jahn-Teller type lattice distortion and the system undergoes a B1-R3̄m phase transition. However, below the critical 5f-electron number this mechanism is not favorable due to a lack of sufficient 5f-state occupancy and thus the system undergoes a B1-B2 phase transition like other ionic solids.

  2. Localized 5f electrons in superconducting PuCoIn5: consequences for superconductivity in PuCoGa5

    International Nuclear Information System (INIS)

    Bauer, E D; Altarawneh, M M; Tobash, P H; Gofryk, K; Ayala-Valenzuela, O E; Mitchell, J N; McDonald, R D; Mielke, C H; Ronning, F; Scott, B L; Thompson, J D; Griveau, J-C; Colineau, E; Eloirdi, R; Caciuffo, R; Janka, O; Kauzlarich, S M

    2012-01-01

    The physical properties of the first In analog of the PuMGa 5 (M = Co, Rh) family of superconductors, PuCoIn 5 , are reported. With its unit cell volume being 28% larger than that of PuCoGa 5 , the characteristic spin-fluctuation energy scale of PuCoIn 5 is three to four times smaller than that of PuCoGa 5 , which suggests that the Pu 5f electrons are in a more localized state relative to PuCoGa 5 . This raises the possibility that the high superconducting transition temperature T c = 18.5 K of PuCoGa 5 stems from the proximity to a valence instability, while the superconductivity at T c = 2.5 K of PuCoIn 5 is mediated by antiferromagnetic spin fluctuations associated with a quantum critical point. (fast track communication)

  3. Superconducting state mechanisms and properties

    CERN Document Server

    Kresin, Vladimir Z; Wolf, Stuart A

    2014-01-01

    'Superconducting State' provides a very detailed theoretical treatment of the key mechanisms of superconductivity, including the current state of the art (phonons, magnons, and plasmons). A very complete description is given of the electron-phonon mechanism responsible for superconductivity in the majority of superconducting systems, and the history of its development, as well as a detailed description of the key experimental techniques used to study the superconducting state and determine the mechanisms. In addition, there are chapters describing the discovery and properties of the key superconducting compounds that are of the most interest for science, and applications including a special chapter on the cuprate superconductors. It provides detailed treatments of some very novel aspects of superconductivity, including multiple bands (gaps), the "pseudogap" state, novel isotope effects beyond BCS, and induced superconductivity.

  4. Orbital-exchange and fractional quantum number excitations in an f-electron metal, Yb2Pt2Pb

    NARCIS (Netherlands)

    Wu, L.S.; Gannon, W.J.; Zaliznyak, I.A.; Tsvelik, A.M.; Brockmann, M.; Caux, J.-S.; Kim, M.S.; Qiu, Y.; Copley, J.R.D.; Ehlers, G.; Podlesnyak, A.; Aronson, M.C.

    2016-01-01

    Exotic quantum states and fractionalized magnetic excitations, such as spinons in one-dimensional chains, are generally expected to occur in 3d transition metal systems with spin 1/2. Our neutron-scattering experiments on the 4f-electron metal Yb2Pt 2 Pb overturn this conventional wisdom. We observe

  5. Extension properties of states on operator algebras

    Science.gov (United States)

    Hamhalter, Jan

    1995-08-01

    We summarize and deepen some recent results concerning the extension problem for states on operator algebras and general quantum logics. In particular, we establish equivalence between the Gleason extension property, the Hahn-Banach extension property, and the universal state extension property of projection logics. Extensions of Jauch-Piron states are investigated.

  6. Reliability of conventional crystal field models in f-electron systems

    Energy Technology Data Exchange (ETDEWEB)

    Gajek, Z. [Polska Akademia Nauk, Wroclaw (Poland). Inst. Niskich Temperatur i Badan Strukturalnych

    1995-03-15

    Crystal field models commonly applied to explain the electronic properties of solid f-electron compounds are discussed from the point of view of their inherent limitations and the false conclusions they may lead to. Both phenomenological and ab initio approximate models are considered. The discussion is based on generalized perturbation model calculations of the crystal field parameters for europium, uranium, plutonium and neptunium ions in various crystals. The results reveal the inadequacy of various electrostatic approaches and the correctness of models based on renormalization terms. ((orig.))

  7. Magnetic susceptibility measurements of σ plutonium alloys. Contribution to the study of the 5f electrons localization in the plutonium

    International Nuclear Information System (INIS)

    Meot-Reymond, S.

    1996-01-01

    Physical properties of actinide metals are essentially ruled by the 5f electrons localization. From a theoretically point of view, this localization is more important in the δ-phase than in the α-one. To compare their magnetic behaviour, low temperature magnetic susceptibility measurements have been performed and previous-resistivity data have been analysed. Experimental results and theoretical data can be conciliate by the existence of a Kondo effect in the δ-Pu phase. (author)

  8. Qudit hypergraph states and their properties

    Science.gov (United States)

    Xiong, Fei-Lei; Zhen, Yi-Zheng; Cao, Wen-Fei; Chen, Kai; Chen, Zeng-Bing

    2018-01-01

    Hypergraph states, a generalization of graph states, constitute a large class of quantum states with intriguing nonlocal properties, and they have promising applications in quantum information science and technology. In this paper, we study some features of an independently proposed generalization of hypergraph states to qudit hypergraph states, i.e., each vertex in the generalized hypergraph (multi-hypergraph) represents a d -level system instead of a two-level one. It is shown that multi-hypergraphs and d -level hypergraph states have a one-to-one correspondence, and the structure of a multi-hypergraph exhibits the entanglement property of the corresponding quantum state. We discuss their relationship with some well-known state classes, e.g., real equally weighted states and stabilizer states. The Bell nonlocality, an important resource in fulfilling many quantum information tasks, is also investigated.

  9. The degree of 5f electron localization in URu2Si2: electron energy-loss spectroscopy and spin-orbit sum rule analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jeffries, J R; Moore, K T; Butch, N P; Maple, M B

    2010-05-19

    We examine the degree of 5f electron localization in URu{sub 2}Si{sub 2} using spin-orbit sum rule analysis of the U N{sub 4,5} (4d {yields} 5f) edge. When compared to {alpha}-U metal, US, USe, and UTe, which have increasing localization of the 5f states, we find that the 5f states of URu{sub 2}Si{sub 2} are more localized, although not entirely. Spin-orbit analysis shows that intermediate coupling is the correct angular momentum coupling mechanism for URu{sub 2}Si{sub 2} when the 5f electron count is between 2.6 and 2.8. These results have direct ramifications for theoretical assessment of the hidden order state of URu{sub 2}Si{sub 2}, where the degree of localization of the 5f electrons and their contribution to the Fermi surface are critical.

  10. Enhanced angular overlap model for nonmetallic f -electron systems

    Science.gov (United States)

    Gajek, Z.

    2005-07-01

    An efficient method of interpretation of the crystal field effect in nonmetallic f -electron systems, the enhanced angular overlap model (EAOM), is presented. The method is established on the ground of perturbation expansion of the effective Hamiltonian for localized electrons and first-principles calculations related to available experimental data. The series of actinide compounds AO2 , oxychalcogenides AOX , and dichalcogenides UX2 where X=S ,Se,Te and A=U ,Np serve as probes of the effectiveness of the proposed method. An idea is to enhance the usual angular overlap model with ab initio calculations of those contributions to the crystal field potential, which cannot be represented by the usual angular overlap model (AOM). The enhancement leads to an improved fitting and makes the approach intrinsically coherent. In addition, the ab initio calculations of the main, AOM-consistent part of the crystal field potential allows one to fix the material-specific relations for the EAOM parameters in the effective Hamiltonian. Consequently, the electronic structure interpretation based on EAOM can be extended to systems of the lowest point symmetries or/and deficient experimental data. Several examples illustrating the promising capabilities of EAOM are given.

  11. Magnetic properties of singlet ground state systems

    International Nuclear Information System (INIS)

    Diederix, K.M.

    1979-01-01

    Experiments are described determining the properties of a magnetic system consisting of a singlet ground state. Cu(NO 3 ) 2 .2 1/2H 2 O has been studied which is a system of S = 1/2 alternating antiferromagnetic Heisenberg chains. The static properties, spin lattice relaxation time and field-induced antiferromagnetically ordered state measurements are presented. Susceptibility and magnetic cooling measurements of other compounds are summarised. (Auth.)

  12. Completeness properties of the minimum uncertainty states

    Science.gov (United States)

    Trifonov, D. A.

    1993-01-01

    The completeness properties of the Schrodinger minimum uncertainty states (SMUS) and of some of their subsets are considered. The invariant measures and the resolution unity measures for the set of SMUS are constructed and the representation of squeezing and correlating operators and SMUS as superpositions of Glauber coherent states on the real line is elucidated.

  13. Coupling of the 4f Electrons in Lanthanide Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Kazhdan, Daniel [Univ. of California, Berkeley, CA (United States)

    2008-09-01

    (C5Me5)2LnOTf where Ln = La, Ce, Sm, Gd, and Yb have been synthesized and these derivatives are good starting materials for the synthesis of (C5Me5)2LnX derivatives. (C5Me5)2Ln(2,2'-bipyridine), where Ln = La, Ce, Sm, and Gd, along with several methylated bipyridine analogues have been synthesized and their magnetic moments have been measured as a function of temperature. In lanthanum, cerium, and gadolinium complexes the bipyridine ligand ligand is unequivocally the radical anion, and the observed magnetic moment is the result of intramolecular coupling of the unpaired electron on the lanthanide fragment with the unpaired electron on the bipyridine along with the intermolecular coupling between radicals. Comparison with the magnetic moments of the known compounds (C5Me5)2Sm(2,2'-bipyridine) and (C5Me5)2Yb(2,2'-bipyridine) leads to an understanding of the role of the SmII/SmIII and YbII/YbIII couple in the magnetic properties of (C5Me5)2Sm(2,2'-bipyridine) and (C5Me5)2Yb(2,2'-bipyridine). In addition, crystal structures of (C5Me5)2Ln(2,2'-bipyridine) and [(C5Me5)2Ln(2,2'-bipyridine)][BPh4](Ln= Ce and Gd), where the lanthanide is unequivocally in the +3 oxidation state, give the crystallographic characteristics of bipyridine as an anion and as a neutral ligand in the same coordination environment, respectively. Substituted bipyridine ligands coordinated to (C5Me5)2Yb are studied to further understand how the magnetic coupling in (C5Me5)2Yb(2,2'-bipyridine) changes with substitutions. In the cases of (C5Me5)2Yb(5,5&apos

  14. Entanglement properties of boundary state and thermalization

    Science.gov (United States)

    Guo, Wu-zhong

    2018-06-01

    We discuss the regularized boundary state {e}^{-{τ}_0H}\\Big|{.B>}_a on two aspects in both 2D CFT and higher dimensional free field theory. One is its entanglement and correlation properties, which exhibit exponential decay in 2D CFT, the parameter 1 /τ 0 works as a mass scale. The other concerns with its time evolution, i.e., {e}^{-itH}{e}^{-{τ}_0H}\\Big|{.B>}_a . We investigate the Kubo-Martin-Schwinger (KMS) condition on correlation function of local operators to detect the thermal properties. Interestingly we find the correlation functions in the initial state {e}^{-{τ}_0H}\\Big|{.B>}_a also partially satisfy the KMS condition. In the limit t → ∞, the correlators will exactly satisfy the KMS condition. We generally analyse quantum quench by a pure state and obtain some constraints on the possible form of 2-point correlation function in the initial state if assuming they satisfies KMS condition in the final state. As a byproduct we find in an large τ 0 limit the thermal property of 2-point function in {e}^{-{τ}_0H}\\Big|{.B>}_a also appears.

  15. Effect of pressure on f-electron delocalization and oxidation in actinide dioxides

    Energy Technology Data Exchange (ETDEWEB)

    Petit, L., E-mail: leon.petit@stfc.ac.uk [Daresbury Laboratory, Daresbury, Warrington WA4 4AD (United Kingdom); Szotek, Z.; Temmerman, W.M. [Daresbury Laboratory, Daresbury, Warrington WA4 4AD (United Kingdom); Stocks, G.M. [Materials Science and Technology Division and Center for Defect Physics, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Svane, A. [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark)

    2014-08-01

    Using first principles calculations, we have investigated f-electron delocalization and oxidation in the actinide dioxides under pressure. Whilst UO{sub 2} is found on the verge of an insulator to metal transition at the equilibrium volume, increasingly larger pressures are required to delocalize f-electrons in NpO{sub 2}, PuO{sub 2}, and AmO{sub 2}, respectively 49, 112, and 191 GPa. Compared to this broad range of pressures, the experimentally observed structural transitions, in all four dioxides, occur between 30 and 40 GPa, which leads us to conclude that the associated volume collapse is not due to f-electron delocalization. In contrast, oxidation of the dioxides is found to be linked to the degree of f-electron localization, but it emerges that for naturally occurring pressures (<10 GPa), higher oxides only exist for UO{sub 2}.

  16. Magnetic form factor of NpAs2: a crystal field wave function for 5f electrons

    International Nuclear Information System (INIS)

    Amoretti, G.; Blaise, A.; Bonnet, M.; Boucherle, J.X.; Delapalme, A.; Fournier, J.M.; Vigneron, F.

    1982-10-01

    Neptunium magnetic form factor measurements in the ferromagnetic phase of NpAs 2 (T = 4.2 K, H = 4.6 T) are analysed under different assumptions: Np 3 + , Np 4 + or Np 5 + , with a free ion wave-function (Russel-Saunders and intermediate coupling scheme) or with a Crystal Field Wave function for 5f electrons: sub(m)sup(μ)asub(m)asub(m)/J,m>. The experimental results are compatible with either a 3+ or 4+ state

  17. High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: the role of 4f electrons.

    Science.gov (United States)

    Kumari, Sudesh; Roudjane, Mourad; Hewage, Dilrukshi; Liu, Yang; Yang, Dong-Sheng

    2013-04-28

    Cerium, praseodymium, and neodymium complexes of 1,3,5,7-cyclooctatetraene (COT) complexes were produced in a laser-vaporization metal cluster source and studied by pulsed-field ionization zero electron kinetic energy spectroscopy and quantum chemical calculations. The computations included the second-order Møller-Plesset perturbation theory, the coupled cluster method with single, double, and perturbative triple excitations, and the state-average complete active space self-consistent field method. The spectrum of each complex exhibits multiple band systems and is assigned to ionization of several low-energy electronic states of the neutral complex. This observation is different from previous studies of M(COT) (M = Sc, Y, La, and Gd), for which a single band system was observed. The presence of the multiple low-energy electronic states is caused by the splitting of the partially filled lanthanide 4f orbitals in the ligand field, and the number of the low-energy states increases rapidly with increasing number of the metal 4f electrons. On the other hand, the 4f electrons have a small effect on the geometries and vibrational frequencies of these lanthanide complexes.

  18. Ground-state properties of rare-earth metals: an evaluation of density-functional theory

    International Nuclear Information System (INIS)

    Söderlind, Per; Turchi, P E A; Landa, A; Lordi, V

    2014-01-01

    The rare-earth metals have important technological applications due to their magnetic properties, but are scarce and expensive. Development of high-performance magnetic materials with less rare-earth content is desired, but theoretical modeling is hampered by complexities of the rare earths electronic structure. The existence of correlated (atomic-like) 4f electrons in the vicinity of the valence band makes any first-principles theory challenging. Here, we apply and evaluate the efficacy of density-functional theory for the series of lanthanides (rare earths), investigating the influence of the electron exchange and correlation functional, spin-orbit interaction, and orbital polarization. As a reference, the results are compared with those of the so-called ‘standard model’ of the lanthanides in which electrons are constrained to occupy 4f core states with no hybridization with the valence electrons. Some comparisons are also made with models designed for strong electron correlations. Our results suggest that spin–orbit coupling and orbital polarization are important, particularly for the magnitude of the magnetic moments, and that calculated equilibrium volumes, bulk moduli, and magnetic moments show correct trends overall. However, the precision of the calculated properties is not at the level of that found for simpler metals in the Periodic Table of Elements, and the electronic structures do not accurately reproduce x-ray photoemission spectra. (paper)

  19. Observations of multiple order parameters in 5f electron systems

    International Nuclear Information System (INIS)

    Blackburn, E.

    2005-12-01

    In this thesis, multiple order parameters originating in the same electronic system are studied. The multi-k magnetic structures, where more than one propagation wavevector, k, is observed in the same volume, are considered as prototypical models. The effect of this structure on the elastic and inelastic response is studied. In cubic 3-k uranium rock-salts, unexpected elastic diffraction events were observed at positions in reciprocal space where the structure factor should have been zero. These diffraction peaks are identified with correlations between the (orthogonal) magnetic order parameters. The 3-k structure also affects the observed dynamics; the spin-wave fluctuations in uranium dioxide as observed by inelastic neutron polarization analysis can only be explained on the basis of a 3-k structure. In the antiferromagnetic superconductor UPd 2 Al 3 the magnetic order and the super-conducting state coexist, and are apparently generated by the same heavy fermions. The effect of an external magnetic field on both the normal and superconducting states is examined. In the normal state, the compound displays Fermi-liquid-like behaviour. The inelastic neutron response is strongly renormalized on entering the superconducting state, and high-precision measurements of the low-energy transfer part of this response confirm that the superconducting energy gap has the same symmetry as the antiferromagnetic lattice. (author)

  20. Itinerant f-electron behavior in Ce and U compounds

    International Nuclear Information System (INIS)

    Crabtree, G.W.

    1985-04-01

    The experimentally observed Fermi surface properties in URh 3 , UIr 3 , UGe 3 , CeSn 3 , CeB 6 , U 3 As 4 , U 3 P 4 , and CeSb are reviewed. For the compounds with no magnetic order, band structure models of the Fermi surface geometry are confirmed and f-ligand hybridization is found to be dominant. For CeB 6 , U 3 As 4 , and U 3 P 4 the experiments show that both local moments and f hybridization are important. In CeSb new data can be explained by a purely local model with no f-hybridization

  1. Solid state properties from bulk to nano

    CERN Document Server

    Dresselhaus, Mildred; Cronin, Stephen; Gomes Souza Filho, Antonio

    2018-01-01

    This book fills a gap between many of the basic solid state physics and materials science books that are currently available. It is written for a mixed audience of electrical engineering and applied physics students who have some knowledge of elementary undergraduate quantum mechanics and statistical mechanics. This book, based on a successful course taught at MIT, is divided pedagogically into three parts: (I) Electronic Structure, (II) Transport Properties, and (III) Optical Properties. Each topic is explained in the context of bulk materials and then extended to low-dimensional materials where applicable. Problem sets review the content of each chapter to help students to understand the material described in each of the chapters more deeply and to prepare them to master the next chapters.

  2. Presence and Character of the 5f Electrons in the Actinide Metals

    DEFF Research Database (Denmark)

    Johansson, B.; Skriver, Hans Lomholt; Mårtensson, N.

    1980-01-01

    The sensitivity of the Image level binding energy to the occupation of the 5f orbital is pointed out and used to demonstrate the presence of 5f electrons in the uranium metal. It is suggested that the valence band spectrum of uranium might contain satellites originating from excitations...... to localized 5f-electron configurations. Different kinds of core-hole screenings are discussed for the actinide metals as well as the difference between inner and outer core electron ionizations. Finally, the question of itinerant versus localized 5f behaviour is treated by means of a total energy comparison...

  3. Properties of Nonabelian Quantum Hall States

    Science.gov (United States)

    Simon, Steven H.

    2004-03-01

    The quantum statistics of particles refers to the behavior of a multiparticle wavefunction under adiabatic interchange of two identical particles. While a three dimensional world affords the possibilities of Bosons or Fermions, the two dimensional world has more exotic possibilities such as Fractional and Nonabelian statistics (J. Frölich, in ``Nonperturbative Quantum Field Theory", ed, G. t'Hooft. 1988). The latter is perhaps the most interesting where the wavefunction obeys a ``nonabelian'' representation of the braid group - meaning that braiding A around B then B around C is not the same as braiding B around C then A around B. This property enables one to think about using these exotic systems for robust topological quantum computation (M. Freedman, A. Kitaev, et al, Bull Am Math Soc 40, 31 (2003)). Surprisingly, it is thought that quasiparticles excitations with such nonabelian statistics may actually exist in certain quantum Hall states that have already been observed. The most likely such candidate is the quantum Hall ν=5/2 state(R. L. Willett et al, Phys. Rev. Lett. 59, 1776-1779 (1987)), thought to be a so-called Moore-Read Pfaffian state(G. Moore and N. Read, Nucl Phys. B360 362 (1991)), which can be thought of as a p-wave paired superconducting state of composite fermions(M. Greiter, X. G. Wen, and F. Wilczek, PRL 66, 3205 (1991)). Using this superconducting analogy, we use a Chern-Simons field theory approach to make a number of predictions as to what experimental signatures one should expect for this state if it really is this Moore-Read state(K. Foster, N. Bonesteel, and S. H. Simon, PRL 91 046804 (2003)). We will then discuss how the nonabelian statistics can be explored in detail using a quantum monte-carlo approach (Y. Tserkovnyak and S. H. Simon, PRL 90 106802 (2003)), (I. Finkler, Y. Tserkovnyak, and S. H. Simon, work in progress.) that allows one to explicitly drag one particle around another and observe the change in the wavefunctions

  4. Lanthanide 4f-electron binding energies and the nephelauxetic effect in wide band gap compounds

    International Nuclear Information System (INIS)

    Dorenbos, Pieter

    2013-01-01

    Employing data from luminescence spectroscopy, the inter 4f-electron Coulomb repulsion energy U(6, A) in Eu 2+/3+ impurities together with the 5d-centroid energy shift ϵ c (1,3+,A) in Ce 3+ impurities in 40 different fluoride, chloride, bromide, iodide, oxide, sulfide, and nitride compounds has been determined. This work demonstrates that the chemical environment A affects the two energies in a similar fashion; a fashion that follows the anion nephelauxetic sequence F, O, Cl, Br, N, I, S, Se. One may then calculate U(6, A) from well established and accurate ϵ c (1,3+,A) values which are then used as input to the chemical shift model proposed in Dorenbos (2012) [19]. As output it provides the chemical shift of 4f-electron binding energy and therewith the 4f-electron binding energy relative to the vacuum energy. In addition this method provides a tool to routinely establish the binding energy of electrons at the top of the valence band (work function) and the bottom of the conduction band (electron affinity) throughout the entire family of inorganic compounds. How the electronic structure of the compound and lanthanide impurities therein change with type of compound and type of lanthanide is demonstrated. -- Highlights: ► A relationship between 5d centroid shift and 4f-electron Coulomb repulsion energy is established. ► Information on the absolute 4f-electron binding energy of lanthanides in 40 compounds is provided. ► A new tool to determine absolute binding energies of electrons in valence and conduction bands is demonstrated

  5. Fractional and hidden magnetic excitations in f-electron metal Yb2Pt2Pb

    Science.gov (United States)

    Zaliznyak, Igor

    Quantum states with fractionalized excitations such as spinons in one-dimensional chains are commonly viewed as belonging to the domain of S=1/2 spin systems. However, recent experiments on the quantum antiferromagnet Yb2Pt2Pb, part of a large family of R2T2X (R=rare earth, T=transition metal, X=main group) materials spectacularly disqualify this opinion. The results show that spinons can also emerge in an f-electron system with strong spin-orbit coupling, where magnetism is mainly associated with large and anisotropic orbital moment. Here, the competition of several high-energy interactions Coulomb repulsion, spin-orbit coupling, crystal field, and the peculiar crystal structure, which combines low dimensionality and geometrical frustration, lead to the emergence, at low energy, of an effective spin-1/2, purely quantum Hamiltonian. Consequently, it produces unusual spin-liquid states and fractional excitations enabled by the inherently quantum mechanical nature of the moments. The emergent quantum spins bear the unique birthmark of their unusual origin in that they only lead to measurable longitudinal magnetic fluctuations, while the transverse excitations such as spin waves remain invisible to scattering experiments. Similarlyhidden would be transverse magnetic ordering, although it would have visible excitations. The rich magnetic phase diagram of Yb2Pt2Pb is suggestive of the existence of hidden-order phases, while the recent experiments indeed reveal the dark magnon, a hidden excitation in the saturated ferromagnetic (FM) phase of Yb2Pt2Pb. Unlike copper-based spin-1/2 chains, where the magnon in the FM state accounts for the full spectral weight of the zero-field spinon continuum, in the spin-orbital chains in Yb2Pt2Pb it is 100 times, or more weaker. It thus presents an example of dark magnon matter\\x9D, whose Hamiltonian is that of the effective spin-1/2 chain, but whose coupling to magnetic field, the physical probe at our disposal, is vanishingly small

  6. Thermodynamic Properties from Corresponding States Theory

    DEFF Research Database (Denmark)

    Mollerup, Jørgen

    1980-01-01

    A corresponding states approach has been applied to the two-constant equations of state by Wilson, Soave, Peng—Robinson, Hamam et al., Lu et al., Simonet—Behar, and Chaudron et al. in order to obtain the equivalent shape-factor correlations. The correlations derived are compared with the Leach...

  7. Itinerant 5f electrons and the Fermi surface properties in neptunium compounds

    International Nuclear Information System (INIS)

    Aoki, D.; Yamagami, H.; Homma, Y.; Sakai, H.; Ikeda, S.; Shiokawa, Y.; Yamamoto, E.; Nakamura, A.; Haga, Y.; Settai, R.; Onuki, Y.

    2007-01-01

    We grew high-quality single crystals of NpGe 3 , NpIn 3 , NpCoGa 5 , NpRhGa 5 and NpFe 4 P 12 by the flux method, and measured the de Haas-van Alphen (dHvA) effect, magnetic susceptibility and resistivity. The results of dHvA experiments in NpGe 3 , NpCoGa 5 and NpRhGa 5 were well explained by the energy band calculation based on the 5f-itinerant model, while the topology of Fermi surfaces in NpIn 3 is similar to those of LaIn 3 , implying the 5f-localized nature of NpIn 3 . The skutterudite compound NpFe 4 P 12 is a low carrier system with the 5f 3 configuration

  8. Magnetic Ground State Properties of Transition Metals

    DEFF Research Database (Denmark)

    Andersen, O. K.; Madsen, J.; Poulsen, U. K.

    1977-01-01

    We review a simple one-electron theory of the magnetic and cohesive properties of ferro- and nearly ferromagnetic transition metals at 0 K. The theory is based on the density functional formalism, it makes use of the local spin density and atomic sphere approximations and it may, with further app...

  9. d and f electrons in a qp-quantized cubical field

    International Nuclear Information System (INIS)

    Kibler, M.; Sztucki, J.

    1993-03-01

    A procedure for qp-quantizing a crystal-field potential V with an arbitrary symmetry G is developed. Such a procedure is applied to the case where V involves cubic components (G=0) of the degrees 4 and 6. This case corresponds to d and f electrons in a qp-quantized cubical potential. It is shown that the qp-quantization of the considered cubical potential is equivalent to a symmetry breaking of type O→D 4 . A general conjecture about this symmetry breaking phenomenon is given. (author) 21 refs

  10. Properties of GD-152 collective states

    Czech Academy of Sciences Publication Activity Database

    Adam, Jindřich; Honusek, Milan; Dobeš, Jan; Kalinnikov, V. G.; Mrázek, Jaromír; Pronskikh, V. S.; Čaloun, Pavel; Lebeděv, NA.; Stegailov, V. I.; Tsoupko-Sitnikov, V. M.

    2003-01-01

    Roč. 18, č. 4 (2003), s. 605-626 ISSN 1434-6001 Institutional research plan: CEZ:AV0Z1048901 Keywords : interacting boson model * multipole-mixing ratios * negative parity states Subject RIV: BE - Theoretical Physics Impact factor: 2.097, year: 2003

  11. Excited state properties of aryl carotenoids

    Czech Academy of Sciences Publication Activity Database

    Fuciman, M.; Chábera, P.; Župčanová, Anita; Hříbek, P.; Arellano, J.B.; Vácha, František; Pšenčík, J.; Polívka, Tomáš

    2010-01-01

    Roč. 12, č. 13 (2010), s. 3112-3120 ISSN 1463-9076 R&D Projects: GA AV ČR IAA608170604 Institutional research plan: CEZ:AV0Z50510513 Keywords : carotenoids * excited-states * femtosecond spectroscopy Subject RIV: BO - Biophysics Impact factor: 3.454, year: 2010

  12. Electronic and ground state properties of ThTe

    Energy Technology Data Exchange (ETDEWEB)

    Bhardwaj, Purvee, E-mail: purveebhardwaj@gmail.com; Singh, Sadhna, E-mail: drsadhna100@gmail.com [High Pressure Research Lab. Department of Physics Barkatullah University, Bhopal (MP) 462026 (India)

    2016-05-06

    The electronic properties of ThTe in cesium chloride (CsCl, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.

  13. Analysis of 165Er excited state properties

    International Nuclear Information System (INIS)

    Morozov, V.A.; Budzynski, M.

    1982-01-01

    It is shown by the analysis of 165 Tm decay that the precision measurements of γ-ray and internal conversion electron intensities together with the measurements o.f angular correlation coefficients provide more data for the determination of γ-ray multipole composition and intensities of γ-transitions with small enerqy difference. The spin of the 589.868 ke tate is found to be I=1/2 - . Doublet transitions of different parity from the states 1103.495, 920.645 and 745.968 keV to the levels of the 590 keV region with energy difference ΔE=(108+-22) eV are identified

  14. Collective properties of nucleons in the abnormal-parity states

    International Nuclear Information System (INIS)

    Bhatt, K. H.; Kahane, S.; Raman, S.

    2000-01-01

    In the first part of this work, we study the quadrupole collective properties of N a =2, 4, 6, and 8 nucleons occupying the abnormal-parity intruder single-particle states with high angular momenta j a =(9/2), (11/2), (13/2), and (15/2). This study is essential for a detailed understanding of the contribution made by these nucleons to the quadrupole collectivity of the yrast states of deformed nuclei. The properties studied include (i) the distribution of the angular momenta J contained in the intrinsic state of N a particles in the |j a k a > states, (ii) the relationship between the quadrupole moment Q 0 (j a ,N a ) of such an intrinsic state and the maximum angular momentum J max contained in it, (iii) the complete set of reduced quadrupole matrix elements (J ' ||Q||J) for transitions between all the states |J> and |J ' > projected from the intrinsic state, (iv) the B(E2:J→J-2) values, (v) the transition moments Q t (J), and (vi) the spectroscopic quadrupole moment Q(J). We compare these properties with similar properties of an intrinsic state having SU(3) symmetry which contains the same set of angular momenta as contained in the intrinsic state of a particular number of nucleons in a specific j a configuration. In the second part, we use the input from the first part to study the collective properties of the coupled system of protons and neutrons in abnormal-parity states. We show that the SU(3)-like features observed for the individual groups of abnormal-parity nucleons become stronger for the coupled system. Finally, in the third part, we consider the yrast bands of well-deformed nuclei projected from their Nilsson intrinsic states of valence nucleons in a major shell. We specify the structure of the wave function of each projected yrast state |J> in terms of the nucleons in both normal- and abnormal-parity states. These wave functions can be used to determine the individual contributions of the nucleons in normal- and abnormal-parity states to any

  15. Generalized Spin Coherent States: Construction and Some Physical Properties

    International Nuclear Information System (INIS)

    Berrada, K.; El Baz, M.; Hassouni, Y.

    2009-12-01

    A generalized deformation of the su(2) algebra and a scheme for constructing associated spin coherent states is developed. The problem of resolving the unity operator in terms of these states is addressed and solved for some particular cases. The construction is carried using a deformation of Holstein-Primakoff realization of the su(2) algebra. The physical properties of these states is studied through the calculation of Mandel's parameter. (author)

  16. Ground state magnetic properties of Fe nanoislands on Cu(111)

    International Nuclear Information System (INIS)

    Kishi, Tomoya; David, Melanie; Nakanishi, Hiroshi; Kasai, Hideaki; Dino, Wilson Agerico; Komori, Fumio

    2005-01-01

    We investigate magnetic properties of Fe nanoislands on Cu(111) in the relaxed structure within the density functional theory. We observe that the nanoislands exhibit the ferromagnetic properties with large magnetic moment. We find that the change in the magnetic moment of each Fe atom is induced by deposition on Cu(111) and structure relaxation of Fe nanoislands. Moreover, we examine the stability of ferromagnetic states of Fe nanoislands by performing the total energy calculations. (author)

  17. Magnetoresistive properties of non-uniform state of antiferromagnetic semiconductors

    International Nuclear Information System (INIS)

    Krivoruchko, V.N.

    1996-01-01

    The phenomenological model of magnetoresistive properties of magneto-non-single-phase state of alloyed magnetic semiconductors is considered using the concept derived for a description of magnetoresistive effects in layered and granular magnetic metals. By assuming that there exists a magneto-non-single state in the manganites having the perovskite structure, it is possible to describe, in the framework of above approach, large magnetoresistive effects of manganite phases with antiferromagnetic order and semiconductor-type conductivity as well as those with antiferromagnetic properties and metallic-type conductivity

  18. Property measurements and inner state estimation of simulated fuel debris

    Energy Technology Data Exchange (ETDEWEB)

    Hirooka, S.; Kato, M.; Morimoto, K.; Washiya, T. [Japan Atomic Energy Agency, Ibaraki (Japan)

    2014-07-01

    Fuel debris properties and inner state such as temperature profile were evaluated by using analysis of simulated fuel debris manufactured from UO{sub 2} and oxidized zircaloy. The center of the fuel debris was expected to be molten state soon after the melt down accident of LWRs because power density was very high. On the other hand, the surface of the fuel debris was cooled in the water. This large temperature gradient may cause inner stress and consequent cracks were expected. (author)

  19. Density-functional theory for f-electron systems. The α-γ phase transition in cerium

    International Nuclear Information System (INIS)

    Casadei, Marco

    2013-01-01

    Rare earths are technologically important and scientifically highly interesting elements. The description of the volume collapse exhibited by some rare earth metals poses a great challenge to density-functional theory (DFT) since local/semi-local functionals (LDA/GGA) only partially capture the associated phase transitions. In this work this problem is approached by treating all electrons at the same quantum mechanical level, using both hybrid functionals (e.g. PBE0 and HSE06) and exact-exchange plus correlation in the random-phase approximation (EX+cRPA). The performance of recently developed beyond RPA schemes is also assessed. The isostructural α-γ phase transition in cerium is the most studied. The exact exchange contribution in PBE0 and HSE06 is crucial to produce two distinct solutions that can be associated with the α and γ phases. The two solutions emerge in bulk as well as in cluster calculations. Most notable is their presence in the cerium dimer. However, quantitative agreement with the extrapolated phase diagram requires EX+cRPA. So far the EX+cRPA correction can only be applied to cerium clusters and not to the bulk. A cluster of 19 atoms cut from the fcc crystal structure (the same that characterizes the α and γ phases) was therefore determined as representative. (EX+cRPA) rate at PBE0 for Ce 19 provides good agreement with the extrapolated transition pressure to zero temperature. We predict that a pressure induced phase transition should exist at or close to zero. A finite temperature phase diagram can be drawn in reasonable agreement with experiment by adding entropic effects. The cerium neighbors are also studied: lanthanum, which has no f electrons, praseodymium, with three f electrons and a volume collapse, and neodymium, with four f electrons and no volume collapse. Multiple solutions are also present for these f electron elements, confirming the importance of exact-exchange for f electron systems.

  20. An Equation of State for the Thermodynamic Properties of Cyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yong, E-mail: Yong.Zhou2@honeywell.com; Liu, Jun [Honeywell Integrated Technology China Co. Ltd., 430 Li Bing Road, Zhangjiang Hi-Tech Park, Shanghai 201203 (China); Penoncello, Steven G. [Center for Applied Thermodynamic Studies, College of Engineering, University of Idaho, Moscow, Idaho 83844 (United States); Lemmon, Eric W. [Applied Chemicals and Materials Division, National Institute of Standards and Technology, 325 Broadway, Boulder, Colorado 80305 (United States)

    2014-12-15

    An equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature. Multi-property fitting technology was used to fit the equation of state to data for pρT, heat capacities, sound speeds, virial coefficients, vapor pressures, and saturated densities. The equation of state was developed to conform to the Maxwell criteria for two-phase vapor-liquid equilibrium states, and is valid from the triple-point temperature to 700 K, with pressures up to 250 MPa and densities up to 10.3 mol dm{sup −3}. In general, the uncertainties (k = 2, indicating a level of confidence of 95%) in density for the equation of state are 0.1% (liquid and vapor) up to 500 K, and 0.2% above 500 K, with higher uncertainties within the critical region. Between 283 and 473 K with pressures lower than 30 MPa, the uncertainty is as low as 0.03% in density in the liquid phase. The uncertainties in the speed of sound are 0.2% between 283 and 323 K in the liquid, and 1% elsewhere. Other uncertainties are 0.05% in vapor pressure and 2% in heat capacities. The behavior of the equation of state is reasonable within the region of validity and at higher and lower temperatures and pressures. A detailed analysis has been performed in this article.

  1. Properties of states of low energy on cosmological spacetimes

    International Nuclear Information System (INIS)

    Degner, Andreas

    2013-01-01

    The present thesis investigates properties of a class of physical states of the quantised scalar field in FRW spacetimes, namely the states of low energy (SLE's). These states are characterised by minimising the time-smeared energy density measured by an isotropic observer, where the smearing is performed with respect to a test function f of compact support. Furthermore, they share all spatial symmetries of the spacetime. Since SLE's are Hadamard states, expectations values of observables like the energy density can be rigorously defined via the so called point-splitting method. In a first step, this procedure is applied to the explicit calculation of the energy density in SLE's for the case of de Sitter space with flat spatial sections. In particular, the e ect of the choice of the mass m and the test function f is discussed. The obtained results motivate the question whether SLE's converge to a distinguished state (namely the Bunch Davies state) when the support of f is shifted to the infinite past. It is shown that this is indeed the case, even in the more general class of asymptotic de Sitter spacetimes, where an analogon of the Bunch Davies state can be defined. This result enables the interpretation of such distinguished states to be SLE's in the infinite past, independently of the form of the smearing function f. Finally, the role of SLE's for the semiclassical backreaction problem is discussed. We derive the semiclassical Friedmann equation in a perturbative approach over Minkowski space. This equation allows for a stability analysis of Minkowski space by the investigation of asymptotic properties of solutions. We also treat this problem using a numerical method.

  2. Properties of states of low energy on cosmological spacetimes

    Energy Technology Data Exchange (ETDEWEB)

    Degner, Andreas

    2013-01-15

    The present thesis investigates properties of a class of physical states of the quantised scalar field in FRW spacetimes, namely the states of low energy (SLE's). These states are characterised by minimising the time-smeared energy density measured by an isotropic observer, where the smearing is performed with respect to a test function f of compact support. Furthermore, they share all spatial symmetries of the spacetime. Since SLE's are Hadamard states, expectations values of observables like the energy density can be rigorously defined via the so called point-splitting method. In a first step, this procedure is applied to the explicit calculation of the energy density in SLE's for the case of de Sitter space with flat spatial sections. In particular, the e ect of the choice of the mass m and the test function f is discussed. The obtained results motivate the question whether SLE's converge to a distinguished state (namely the Bunch Davies state) when the support of f is shifted to the infinite past. It is shown that this is indeed the case, even in the more general class of asymptotic de Sitter spacetimes, where an analogon of the Bunch Davies state can be defined. This result enables the interpretation of such distinguished states to be SLE's in the infinite past, independently of the form of the smearing function f. Finally, the role of SLE's for the semiclassical backreaction problem is discussed. We derive the semiclassical Friedmann equation in a perturbative approach over Minkowski space. This equation allows for a stability analysis of Minkowski space by the investigation of asymptotic properties of solutions. We also treat this problem using a numerical method.

  3. Investigating the Intersession Reliability of Dynamic Brain-State Properties.

    Science.gov (United States)

    Smith, Derek M; Zhao, Yrian; Keilholz, Shella D; Schumacher, Eric H

    2018-06-01

    Dynamic functional connectivity metrics have much to offer to the neuroscience of individual differences of cognition. Yet, despite the recent expansion in dynamic connectivity research, limited resources have been devoted to the study of the reliability of these connectivity measures. To address this, resting-state functional magnetic resonance imaging data from 100 Human Connectome Project subjects were compared across 2 scan days. Brain states (i.e., patterns of coactivity across regions) were identified by classifying each time frame using k means clustering. This was done with and without global signal regression (GSR). Multiple gauges of reliability indicated consistency in the brain-state properties across days and GSR attenuated the reliability of the brain states. Changes in the brain-state properties across the course of the scan were investigated as well. The results demonstrate that summary metrics describing the clustering of individual time frames have adequate test/retest reliability, and thus, these patterns of brain activation may hold promise for individual-difference research.

  4. Stability properties of nonlinear dynamical systems and evolutionary stable states

    Energy Technology Data Exchange (ETDEWEB)

    Gleria, Iram, E-mail: iram@fis.ufal.br [Instituto de Física, Universidade Federal de Alagoas, 57072-970 Maceió-AL (Brazil); Brenig, Leon [Faculté des Sciences, Université Libre de Bruxelles, 1050 Brussels (Belgium); Rocha Filho, Tarcísio M.; Figueiredo, Annibal [Instituto de Física and International Center for Condensed Matter Physics, Universidade de Brasília, 70919-970 Brasília-DF (Brazil)

    2017-03-18

    Highlights: • We address the problem of equilibrium stability in a general class of non-linear systems. • We link Evolutionary Stable States (ESS) to stable fixed points of square quasi-polynomial (QP) systems. • We show that an interior ES point may be related to stable interior fixed points of QP systems. - Abstract: In this paper we address the problem of stability in a general class of non-linear systems. We establish a link between the concepts of asymptotic stable interior fixed points of square Quasi-Polynomial systems and evolutionary stable states, a property of some payoff matrices arising from evolutionary games.

  5. Ground-state properties of a supersymmetric fermion chain

    International Nuclear Information System (INIS)

    Fendley, Paul; Hagendorf, Christian

    2011-01-01

    We analyze the ground state of a strongly interacting fermion chain with a supersymmetry. We conjecture a number of exact results, such as a hidden duality between weak and strong couplings. By exploiting a scale-free property of the perturbative expansions, we find exact expressions for the order parameters, yielding the critical exponents. We show that the ground state of this fermion chain and another model in the same universality class, the XYZ chain along a line of couplings, are both written in terms of the same polynomials. We demonstrate this explicitly for up to N = 24 sites and provide consistency checks for large N. These polynomials satisfy a recursion relation related to the Painlevé VI differential equation and, using a scale-free property of these polynomials, we derive a simple and exact formula for their N→∞ limit

  6. Quantum Properties of the Superposition of Two Nearly Identical Coherent States

    Science.gov (United States)

    Othman, Anas; Yevick, David

    2018-04-01

    In this paper, we examine the properties of the state obtained when two nearly identical coherent states are superimposed. We found that this state exhibits many nonclassical properties such as sub-Poissonian statistics, squeezing and a partially negative Wigner function. These and other properties indicate that such states, here termed near coherent states, are significantly closer to coherent states more than the generalized Schrördinger cat states. We finally provide an experimental procedure for generating the near coherent states.

  7. Food Service Guideline Policies on State Government-Controlled Properties.

    Science.gov (United States)

    Zaganjor, Hatidza; Bishop Kendrick, Katherine; Warnock, Amy Lowry; Onufrak, Stephen; Whitsel, Laurie P; Ralston Aoki, Julie; Kimmons, Joel

    2016-09-13

    Food service guideline (FSG) policies can impact millions of daily meals sold or provided to government employees, patrons, and institutionalized persons. This study describes a classification tool to assess FSG policy attributes and uses it to rate FSG policies. Quantitative content analysis. State government facilities in the United States. Participants were from 50 states and District of Columbia in the United States. Frequency of FSG policies and percentage alignment to tool. State-level policies were identified using legal research databases to assess bills, statutes, regulations, and executive orders proposed or adopted by December 31, 2014. Full-text reviews were conducted to determine inclusion. Included policies were analyzed to assess attributes related to nutrition, behavioral supports, and implementation guidance. A total of 31 policies met the inclusion criteria; 15 were adopted. Overall alignment ranged from 0% to 86%, and only 10 policies aligned with a majority of the FSG policy attributes. Western states had the most FSG policies proposed or adopted (11 policies). The greatest number of FSG policies were proposed or adopted (8 policies) in 2011, followed by the years 2013 and 2014. The FSG policies proposed or adopted through 2014 that intended to improve the food and beverage environment on state government property vary considerably in their content. This analysis offers baseline data on the FSG landscape and information for future FSG policy assessments. © The Author(s) 2016.

  8. PREDICTION OF CHROMATIN STATES USING DNA SEQUENCE PROPERTIES

    KAUST Repository

    Bahabri, Rihab R.

    2013-06-01

    Activities of DNA are to a great extent controlled epigenetically through the internal struc- ture of chromatin. This structure is dynamic and is influenced by different modifications of histone proteins. Various combinations of epigenetic modification of histones pinpoint to different functional regions of the DNA determining the so-called chromatin states. How- ever, the characterization of chromatin states by the DNA sequence properties remains largely unknown. In this study we aim to explore whether DNA sequence patterns in the human genome can characterize different chromatin states. Using DNA sequence motifs we built binary classifiers for each chromatic state to eval- uate whether a given genomic sequence is a good candidate for belonging to a particular chromatin state. Of four classification algorithms (C4.5, Naive Bayes, Random Forest, and SVM) used for this purpose, the decision tree based classifiers (C4.5 and Random Forest) yielded best results among those we evaluated. Our results suggest that in general these models lack sufficient predictive power, although for four chromatin states (insulators, het- erochromatin, and two types of copy number variation) we found that presence of certain motifs in DNA sequences does imply an increased probability that such a sequence is one of these chromatin states.

  9. Experimental Investigation of Magnetic Superconducting and other Phase Transitions in Novel f-Electron Materials at Ultra-high Pressures using Designer Diamond Anvils

    International Nuclear Information System (INIS)

    Maple, M. Brian; Jeffries, Jason R.; Ho, Pei-Chun; Butch, Nicholas P.

    2004-01-01

    Pressure is often used as a controlled parameter for the investigation of condensed matter systems. In particular, pressure experiments can provide valuable information into the nature of superconductivity, magnetism, and the coexistence of these two phenomena. Some f-electron, heavy-fermion materials display interesting and novel behavior at moderately low pressures achievable with conventional experimental techniques; however, a growing number of condensed matter systems require ultrahigh pressure techniques, techniques that generate significantly higher pressures than conventional methods, to sufficiently explore their important properties. To that end, we have been funded to develop an ultrahigh pressure diamond anvil cell facility at the University of California, San Diego (UCSD) in order to investigate superconductivity, magnetism, non-Fermi liquid behavior, and other phenomena. Our goals for the first year of this grant were as follows: (a) set up and test a suitable refrigerator; (b) set up a laser and spectrometer fluorescence system to determine the pressure within the diamond anvil cell; (c) perform initial resistivity measurements at moderate pressures from room temperature to liquid helium temperatures (∼1K); (d) investigate f-electron materials within our current pressure capabilities to find candidate materials for high-pressure studies. During the past year, we have ordered almost all the components required to set up a diamond anvil cell facility at UCSD, we have received and implemented many of the components that have been ordered, we have performed low pressure research on several materials, and we have engaged in a collaborative effort with Sam Weir at Lawrence Livermore National Lab (LLNL) to investigate Au4V under ultrahigh pressure in a designer diamond anvil cell (dDAC). This report serves to highlight the progress we have made towards developing an ultrahigh pressure research facility at UCSD, the research performed in the past year, as

  10. Experimental Investigation of Magnetic Superconducting, and other Phase Transitions in Novel f-Electron Materials at Ultra-high Pressures Using Designer Diamond Anvils

    International Nuclear Information System (INIS)

    Maple, M. Brian

    2005-01-01

    Pressure is a powerful control parameter, owing to its ability to affect crystal and electronic structure without introducing defects, for the investigation of condensed matter systems. Some f-electron, heavy-fermion materials display interesting and novel behavior when exposed to pressures achievable with conventional experimental techniques; however, a growing number of condensed matter systems require extreme conditions such as ultrahigh pressures, high magnetic fields, and ultralow temperatures to sufficiently explore the important properties. To that end, we have been funded to develop an ultrahigh pressure facility at the University of California, San Diego (UCSD) in order to investigate superconductivity, magnetism, non-Fermi liquid behavior, and other phenomena under extreme conditions. Our goals for the second year of this grant were as follows: (a) perform electrical resistivity measurements on novel samples at a myriad of pressures using conventional piston-cylinder techniques, Bridgman anvil techniques, and diamond anvil cell technology; (b) install, commission, and operate an Oxford Kelvinox MX-100 dilution refrigerator for access to ultralow temperatures and high magnetic fields. (c) continue the development of diamond anvil cell (DAC) technology. During the past year, we have successfully installed the Oxford Kelvinox MX-100 dilution refrigerator and verified its operability down to 12 mK. We have begun an experimental program to systematically investigate the f-electron compound URu2Si2 under pressure and in the presence of magnetic fields. We have also continued our collaborative work with Sam Weir at Lawrence Livermore National Laboratory (LLNL) on Au4V and implemented a new corollary study on Au1-xVx using ultrahigh pressures. We have continued developing our DAC facility by designing and constructing an apparatus for in situ pressure measurement as well as designing high pressure cells. This report serves to highlight the progress we have made

  11. Optoelectronic properties of valence-state-controlled amorphous niobium oxide

    Science.gov (United States)

    Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

    2016-06-01

    In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications.

  12. Static and dynamic properties of QCD bound states

    International Nuclear Information System (INIS)

    Kubrak, Stanislav

    2015-01-01

    The QCD phenomenology can be faced with the framework of the coupled quark DSE, meson BSE and baryon Faddeev equation, providing non-perturbative, continuum and Poincare invariant scientific approach. The research performed throughout this thesis is twofold. From one perspective we focus on the investigation of mass spectra for mesons with total spin quantum number J=3 and arising Regge-trajectory for natural parity states J PC =1 -- ,2 ++ ,3 -- within rainbow-ladder single gluon exchange model. The other findings are concerning the impact of the pion cloud effect on J>2 meson states, baryon masses, namely on Nucleon and Delta three-body bound states and meson dynamical properties like the pion form factor.

  13. Direct measurement of nonlinear properties of bipartite quantum states.

    Science.gov (United States)

    Bovino, Fabio Antonio; Castagnoli, Giuseppe; Ekert, Artur; Horodecki, Paweł; Alves, Carolina Moura; Sergienko, Alexander Vladimir

    2005-12-09

    Nonlinear properties of quantum states, such as entropy or entanglement, quantify important physical resources and are frequently used in quantum-information science. They are usually calculated from a full description of a quantum state, even though they depend only on a small number of parameters that specify the state. Here we extract a nonlocal and a nonlinear quantity, namely, the Renyi entropy, from local measurements on two pairs of polarization-entangled photons. We also introduce a "phase marking" technique which allows the selection of uncorrupted outcomes even with nondeterministic sources of entangled photons. We use our experimental data to demonstrate the violation of entropic inequalities. They are examples of nonlinear entanglement witnesses and their power exceeds all linear tests for quantum entanglement based on all possible Bell-Clauser-Horne-Shimony-Holt inequalities.

  14. Structural and dynamic properties of solid state ionics

    International Nuclear Information System (INIS)

    Sakuma, T.

    1995-01-01

    The structural and dynamic properties of solid state ionics are reviewed. The low temperature phase transition of the copper halide-chalcogen compounds by specific heat measurements, electrical conductivity measurements and x-ray diffraction measurements are explained. The structures of solid state ionics investigated by the usual x-ray diffraction method and the anomalous x-ray scattering (AXS) measurement are discussed. The expression of the diffuse scattering intensity including the correlations among the thermal displacements of atoms has been given and applied to α-AgI type solid state ionics and lithium sulphate. The presence of low-energy excitations in crystalline copper ion conductors and the superionic conducting glass is investigated by neutron inelastic scattering measurements. The relation between the excitation energy and the mass of the cations is discussed. (author). 141 refs., 21 figs., 7 tabs

  15. Efimov states and bound state properties in selected nuclear and molecular three-body systems

    International Nuclear Information System (INIS)

    Huber, H.S.

    1978-01-01

    The search is made among selected three-body systems for possible Efimov state behavior. In order to carry out this analysis of phenomenological potentials a new mathematical approach, the FCM (Faddeev-coordinate-momentum) technique, is developed. The analysis then proceeds through the framework of the Faddeev equations by employing the UPE (unitary pole expansion) to reduce these equations to numerically feasible form. The systems chosen for analysis are the 4 He trimer and the three-α model of 12 C. Efimov states are not found in 12 C, thus answering speculation among nuclear theorists. The 4 He trimer, on the other hand, manifests Efimov states for each potential considered and the characteristics of these states are extensively analyzed. Since Efimov states are predicted by all of the phenomenological potentials considered, these states would seem to be a realistically fundamental property of the 4 He trimer system

  16. Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as seen in magnetic, transport, and specific-heat data

    Science.gov (United States)

    Troć, R.; Gajek, Z.; Pikul, A.

    2012-12-01

    Single-crystalline UGe2 was investigated by means of magnetic susceptibility, magnetization, electrical resistivity, magnetoresistivity, and specific-heat measurements, all carried out in wide temperature and magnetic-field ranges. An analysis of the obtained data points out the dual behavior of the 5f electrons in this compound, i.e., possessing simultaneously local and itinerant characters in two substates. The magnetic and thermal characteristics of the compound were modeled using the effective crystal field (CF) in the intermediate coupling scheme and initial parameters obtained in the angular overlap model. Various configurations of the localized 5fn (n = 1, 2, and 3) electrons on the uranium ion have been probed. The best results were obtained for the 5f2 (U4+) configuration. The CF parameters obtained in the paramagnetic region allowed us to reproduce satisfactorily the experimental findings in the whole temperature range including also the magnitude of the ordered magnetic moment of uranium at low temperature. The electrical resistivity data after subtraction of the phonon contribution reveal the presence of a Kondo-like interaction in UGe2 supporting the idea of partial localization of the 5f electrons in UGe2. On the other hand, magnetoresistivity and an excess of specific heat originated from the hybridized (itinerant) part of 5f states, apparent around the characteristic temperature T*, give a distinct signature for the presence of the coupled charge-density wave and spin-density wave fluctuations over all the ferromagnetic region with a maximum at T*, postulated earlier in the literature.

  17. Synthesis and crystal chemistry of transuranium element chalcogenides. Contribution to the study of the 5f electron localization

    International Nuclear Information System (INIS)

    Damien, Daniel.

    1976-09-01

    The synthesis and crystal chemistry of Np, Pu, Am and Cm transuranium element chalcogenides are described. From plutonium, transuranium element chalcogenides exhibit the same crystal structure as their rare-earth homologues. The variations of the lattice constants of these compounds in terms of the atomic number are characterized by the lack of the 5f contraction and are interpreted by a localization of the 5f electrons depending upon the considered transuranium element, the nature of the ligand and the crystal structure. To compare the degree of magnitude of the 5f electron delocalization in various compounds, a delocalization scale is proposed based on a comparison between the molar volumes of actinide and isostructural lanthanide compounds. This scale provides a delocalization coefficient for each compound under study. Examination of these coefficients shows that the 5f electrons, in series of actinide compounds, become localized when going from neptunium to curium and that the delocalization process does not only depend upon overlaps between 5f-6d orbitals of neighbouring actinide atoms; the delocalization coefficients show the existence of a secondary delocalization effect due to overlaps between the p anion and f actinide orbitals which are more important for the Vb anion group (N, P, As, Sb) than for the Vib one (S,Se,Te) [fr

  18. Temperature dependence of spin and orbital magnetic moments of Sm 4f electrons in (Sm, Gd)Al2

    International Nuclear Information System (INIS)

    Qiao, S.; Kimura, A.; Adachi, H.; Iori, K.; Miyamoto, K.; Xie, T.; Namatame, H.; Taniguchi, M.; Tanaka, A.; Muro, T.; Imada, S.; Suga, S.

    2005-01-01

    X-ray magnetic circular dichroism studies were carried out on (Sm, Gd)Al 2 , a ferromagnet without net magnetization at a certain compensation temperature. For Sm 4f electrons, the following understandings were obtained: the magnitude of expectation value of orbital magnetic moment (m L Sm ) is always larger than that of spin one (m S Sm ), so the cancellation of total spin and orbital magnetic moments cannot be achieved only by Sm 4f electrons and the contributions from Gd ions and conduction electrons are important; when the temperature decreases, the magnitude of both m L Sm and m S Sm increases and the gross magnetic moment due to the Sm 4f electrons monotonically deviates from zero. These results tell us that the temperature dependence of magnetic moments related with the electrons other than Sm 4f ones may play important roles in the subtle adjustment of the total spin and orbital magnetic moments to the zero magnetization at the compensation temperature

  19. Food Service Guideline Policies on State Government Controlled Properties

    Science.gov (United States)

    Zaganjor, Hatidza; Bishop Kendrick, Katherine; Warnock, Amy Lowry; Onufrak, Stephen; Whitsel, Laurie P.; Ralston Aoki, Julie; Kimmons, Joel

    2017-01-01

    Purpose Food service guidelines (FSG) policies can impact millions of daily meals sold or provided to government employees, patrons, and institutionalized persons. This study describes a classification tool to assess FSG policy attributes and uses it to rate FSG policies. Design Quantitative content analysis. Setting State government facilities in the U.S. Subjects 50 states and District of Columbia. Measures Frequency of FSG policies and percent alignment to tool. Analysis State-level policies were identified using legal research databases to assess bills, statutes, regulations, and executive orders proposed or adopted by December 31, 2014. Full-text reviews were conducted to determine inclusion. Included policies were analyzed to assess attributes related to nutrition, behavioral supports, and implementation guidance. Results A total of 31 policies met inclusion criteria; 15 were adopted. Overall alignment ranged from 0% to 86%, and only 10 policies aligned with a majority of FSG policy attributes. Western States had the most FSG policy proposed or adopted (11 policies). The greatest number of FSG policies were proposed or adopted (8 policies) in 2011, followed by the years 2013 and 2014. Conclusion FSG policies proposed or adopted through 2014 that intended to improve the food and beverage environment on state government property vary considerably in their content. This analysis offers baseline data on the FSG landscape and information for future FSG policy assessments. PMID:27630113

  20. Properties of the electrostatically driven helical plasma state

    Science.gov (United States)

    Akçay, Cihan; Finn, John M.; Nebel, Richard A.; Barnes, Daniel C.; Martin, Neal

    2018-02-01

    A novel plasma state has been found [Akçay et al., Phys. Plasmas 24, 052503 (2017)] in the presence of a uniform applied axial magnetic field in periodic cylindrical geometry. This state is driven by external electrostatic fields provided by helical electrodes with a (m =1 ,n =1 ) (helical) symmetry where m and n represent the poloidal and axial harmonics. The resulting plasma is a function of the cylinder radius r safety factor q0(r ) just above the pitch of the electrodes m /n =1 in the interior, where the plasma is nearly force-free. However, at the edge the current density has a component perpendicular to the magnetic field B. This perpendicular current density drives nearly Alfvénic helical plasma flows, a notable feature of these states. This state is being studied for its possible application in DC electrical transformers. We present results on several issues of importance for these applications: the transient leading to the steady state; the twist and writhe of the field lines and their relation with the current density; the properties of the current density streamlines and length of the current density lines connected to the electrodes; the sensitivity to changes in the velocity boundary conditions; the effect of varying the radial resistivity profile; and the effects of a concentrated electrode potential.

  1. Institutional framework of state property pledge in nizhniy Novgorod Rregion

    Directory of Open Access Journals (Sweden)

    Tat'yana Nikolaevna Danilova

    2012-09-01

    Full Text Available Collateral legal relations are an important factor of the investment process development. They reduce opportunistic loan risks and increase partners’ confidence within the transaction. The mortgage fund of Nizhniy Novgorod region is nowadays involved in the implementation of investment and innovation projects up to 70%. Although theinstitutionalenvironment of regional collateral relation has drastically improved in the last 11 years, the current status is far away from the ideal. Imperfect legal framework of collateral legal relations with the public property leads not only to information asymmetry, but also to a reduced states’ incomefrom thesetransactions. The paper analyzes the current legislative pledge of state property, describes the main steps of its modernization, identifies the positive aspects and trends, as well as deficiencies, provides and gives a proof of necessary legal framework changes aimed at collateral financial relations efficiency improvement in the region

  2. Enhanced thermoelectric performance with participation of F-electrons in β-Zn4Sb3

    International Nuclear Information System (INIS)

    Liu, Mian; Qin, Xiaoying; Liu, Changsong; Li, Xiyu; Yang, Xiuhui

    2014-01-01

    Highlights: • Find an effective route to enhance the thermoelectric figure of merit of β-Zn 4 Sb 3 . • Provide the corresponding theoretical predictions. • Investigated the effects of doping Ce and Pr in β-Zn 4 Sb 3 . -- Abstract: The effects of rare-earth element impurities Ce and Pr on the electronic structure and thermoelectric properties of β-Zn 4 Sb 3 were investigated by performing self-consistent ab initio electronic structure calculations within density functional theory and solving the Boltzmann transport equations within the relaxation time approximation. The results demonstrated that these rare-earth element impurities with f orbitals could introduce giant sharp resonant peaks in the density of states (DOS) near the host valence band maximum in energy. And these deliberately engineered DOS peaks result in a sharp increase of the room-temperature Seebeck coefficient and power factor from those of impurity-free system by a factor of 100 and 22, respectively. Additionally, with the simultaneous declining of carrier thermal conductivity, a potential 5-fold increase at least with Ce doping and more than 3 times increase with Pr doping in the thermoelectric figure of merit of β-Zn 4 Sb 3 at room temperature are achieved. The effective DOS restructuring strategy opens up new opportunities for thermoelectric power generation and waste heat recovery at large scale

  3. Photoemission in strongly correlated crystalline f-electron systems: A need for a new approach

    International Nuclear Information System (INIS)

    Arko, A.J.; Joyce, J.J.; Sarrao, J.

    1998-01-01

    The unusual properties of heavy fermion (or heavy electron) materials have sparked an avalanche of research over the last two decades in order to understand the basic phenomena responsible for these properties. Photoelectron spectroscopy (often referred to as PES in the following sections), the most direct measurement of the electronic structure of a material, should in principle be able to shed considerable light on this matter. In general the distinction between a localized and a band-like state is trivially observed in band dispersion. Much of the past work was performed on poly-crystalline samples, scraped in-situ to expose a clean surface for PES. There have since been considerable advances both in the quality of specimens as well as experimental resolution, which raise questions regarding these conclusions. Much of the past work on poly-crystalline samples has been reported in several review articles, most notably Allen et al., and it is not necessary here to review those efforts again, with the exception of subsequent work performed at high resolution. The primary focus of the present review will be on new measurements obtained on single crystals, cleaved or prepared in situ and measured at high resolution, which seem to suggest that agreement with the GS and NCA approximations is less than perfect, and that perhaps the starting models need to be modified, or that even an entirely new approach is called for. Of the promising new models the Periodic Anderson Model is most closely related to the SIM. Indeed, at high temperatures it reverts to the SIM. However, the charge polaron model of Liu (1997) as well as the two-electron band model of Sheng and Cooper (1995) cannot yet be ruled out. Inasmuch as the bulk of the single crystal work was performed by the Los Alamos group, this review will draw heavily on those results. Moreover, since the GS and NCA approximations represent the most comprehensive and widely accepted treatment of heavy fermion PES, it is only

  4. Waste tyre rubberized concrete: properties at fresh and hardened state.

    Science.gov (United States)

    Aiello, M A; Leuzzi, F

    2010-01-01

    The main objective of this paper is to investigate the properties of various concrete mixtures at fresh and hardened state, obtained by a partial substitution of coarse and fine aggregate with different volume percentages of waste tyres rubber particles, having the same dimensions of the replaced aggregate. Workability, unit weight, compressive and flexural strength and post-cracking behaviour were evaluated and a comparison of the results for the different rubcrete mixtures were proposed in order to define the better mix proportions in terms of mechanical properties of the rubberized concrete. Results showed in this paper were also compared to data reported in literature. Moreover, a preliminary geometrical, physical and mechanical characterization on scrap tyre rubber shreds was made. The rubberized concrete mixtures showed lower unit weight compared to plain concrete and good workability. The results of compressive and flexural tests indicated a larger reduction of mechanical properties of rubcrete when replacing coarse aggregate rather than fine aggregate. On the other hand, the post-cracking behaviour of rubberized concrete was positively affected by the substitution of coarse aggregate with rubber shreds, showing a good energy absorption and ductility indexes in the range observed for fibrous concrete, as suggested by standard (ASTM C1018-97, 1997). 2010 Elsevier Ltd. All rights reserved.

  5. Molecular and excited state properties of isomeric scarlet disperse dyes

    Science.gov (United States)

    Lim, Jihye; Szymczyk, Malgorzata; Mehraban, Nahid; Ding, Yi; Parrillo-Chapman, Lisa; El-Shafei, Ahmed; Freeman, Harold S.

    2018-06-01

    This work was part of an investigation aimed at characterizing the molecular and excited state properties of currently available disperse dyes developed to provide stability to extensive sunlight exposures when adsorbed on poly(ethylene terephthalate) (PET) fibers. Having completed the characterization of yellow, magenta, and cyan disperse dyes for PET-based fabrics used outdoors, our attention turned to the colors designed to enhance the color gamut of a standard 4-member (cyan/yellow/magenta/black) color set. The present study pertained specifically to the characterization of commercially available scarlet dyes. In this regard, HPLC analysis showed that a scarlet product used for PET coloration was mainly a 70/30 mixture of dyes, and the use of HRMS and single crystal X-ray diffraction analyses indicated that these two dyes were azo compounds derived from isomeric pyridine-based couplers which differed in the location of the primary amino (sbnd NH2) and anilino (sbnd NHPh) groups attached to the pyridine ring. One dye structure has the sbnd NHPh group para to the azo group (Sc2), while the other has that group in the ortho position (Sc3). The presence of either ortho substituent provides photostabilization through intramolecular H-bonding with the azo moiety. Further, results from molecular modeling studies showed that the lower excited state oxidation potential of Sc3 relative to that of Sc2 allows Sc3 to function as an energy quencher for the excited state of Sc2 - through thermodynamically favorable electron transfer.

  6. 26 CFR 1.956-2 - Definition of United States property.

    Science.gov (United States)

    2010-04-01

    ..., which is— (i) Tangible property (real or personal) located in the United States; (ii) Stock of a... year ending June 30, 1964, R Corporation's increase in earnings invested in United States property for... United States property during its taxable year 1965, S Corporation's increase in earnings invested in...

  7. Equation of state and thermodynamic properties of BCC metals

    Directory of Open Access Journals (Sweden)

    Vu Van Hung, N.T. Hoa

    2017-10-01

    Full Text Available The moment method in statistical dynamics is used to study the equation of state and thermodynamic properties of the bcc metals taking into account the anharmonicity effects of the lattice vibrations and hydrostatic pressures. The explicit expressions of the lattice constant, thermal expansion  oefficient, and the specific heats of the bcc metals are derived within the fourth order moment approximation. The termodynamic quantities of W, Nb, Fe,and Ta metals are calculated as a function of the pressure, and they are in good agreement with the corresponding results obtained from the first principles calculations and experimental results. The effective pair potentials work well for the calculations of bcc metals.

  8. Ground-state properties of neutron magic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, G., E-mail: gauravphy@gmail.com [Govt. Women Engineering College, Department of Physics (India); Kaushik, M. [Shankara Institute of Technology, Department of Physics (India)

    2017-03-15

    A systematic study of the ground-state properties of the entire chains of even–even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82, and 126 has been carried out using relativistic mean-field plus Bardeen–Cooper–Schrieffer approach. Our present investigation includes deformation, binding energy, two-proton separation energy, single-particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using nonrelativistic approach (Skyrme–Hartree–Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of the proton and neutron drip-lines, the (Z, N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.

  9. Superconducting and Normal State Properties of OsB2*

    Science.gov (United States)

    Singh, Yogesh; Niazi, A.; Zong, X.; Suh, B. J.; Vannette, M. W.; Prozorov, R.; Johnston, D. C.

    2007-03-01

    OsB2 is a layered superhard metallic material that was found to superconduct below Tc= 2.1 K.^1 We report the first detailed measurements of the static and dynamic magnetic susceptibilities χ, electrical resistivity, heat capacity Cp, penetration depth, and ^11B NMR on OsB2 to characterize its superconducting and normal state properties. The results confirm that OsB2 is a bulk superconductor below Tc= 2.1 K@. Its properties can be described by a close to weak-coupling s-wave BCS model with an electron-phonon coupling constant λ= 0.4--0.5, δ(0)/(kBTc) 1.9, a small Ginzburg-Landau parameter κ of order 5 or less, and a small zero-temperature critical magnetic field of roughly 500 Oe. The ^11B NMR measurements in the normal state show a nuclear spin-lattice relaxation time T1= 2.1 s at room temperature and a Korringa law with T1T = 610 s.K at lower T, and a correspondingly small T-independent Knight shift. These results indicate a small s character of the conduction electron wave function at the B site at the Fermi level. Our results will be compared to corresponding data for MgB2.1. J. K. Vandenberg et al., Mater. Res. Bull. 10, 889 (1975).^*Supported by the USDOE under Contract No. W-7405-Eng-82. Permanent address: Dept. Phys., The Catholic Univ. Korea.

  10. Magnetic and electronic properties of some actinide intermetallic compounds

    International Nuclear Information System (INIS)

    Yaar, Ilan

    1992-06-01

    The electronic structure and magnetic properties of the light actinide intermetallic compounds are often related to interplay between localized and itinerant (band like) behavior of the 5f- electrons. In the present work, the properties of some actinide, mainly Np, intermetallic compounds were studied by Mossbauer effect, ac and dc susceptibility, X-ray and Neutron diffraction techniques. 1. NpX 2 (X=Ga,Si) - Both compounds order ferromagnetically at TC=55(2) and 48(2) K respectively. A comparison of our data with the results for other NpX 2 (X=Al,As,Sb,Tl) compounds indicates that NpGa 2 is a highly localized 5f electron system, whereas in NpSi 2 the 5f electrons are partially delocalized. The magnetic properties of NpX 2 compounds can neither be consistently explained within the conventional crystal electric field picture (CEF) nor by takink into account hybridization dressing of local spin density models. 2. NpX 3 (X=Ga,Si,In,Al) in the cubic AuCu 3 (Pm3m) crystallographic structure - From the Mossbauer isomer shift (IS) data we argue that the Np ion in the NpX 3 family is close to the formal 3+ (5I 4 ) charge state. The magnetic moment of the Np in NpSi 3 is totally suppressed whereas in NpGa 3 and NpAl 3 a localized (narrow band) moment is established. However, in NpIn 3 at 4.2 K, a modulated magnetic moment (0-1.5μB) is observed. Comparing the magnetic behavior of the NpX 3 family (X=Si,Ge,Ga, Al,In and Sn), we find an impressive variation of the magnetic properties, from temperature independent paramagnetism (TIP), localized and modulated ordered moments, to the formation of a concentrated Kondo lattice. Hybridization of 5f electrons with ligand electrons appears to play a crucial role in establishing these magnetic properties. However, at present a consistent theoretical picture can not be drawn. 3. XFe 4 Al 8 (X=Ho,Np,U) spin galss (SG) systems in the ThMn 12 (I 4 /mmm) crystallographic structure - Localized and itinerant behaviour of the f electrons

  11. Quantification of the clustering properties of nuclear states

    International Nuclear Information System (INIS)

    Beck, R.; Dickmann, F.

    1985-05-01

    The amount of particular type of clustering in a nuclear state is defined in this paper as the norm square of the projection of the wave function onto the particular cluster model subspace. It is pointed out that, although the clusters can not be localized in space by measurement, the amount of clustering characterizes the cluster formation in close analogy with a quantum mechanical probability. The cluster model component of the wave function is proved to have a variational property. This facilitates the computation of the amount of clustering. The model dependence of the amounts of various clusterings and their relationship to the corresponding spectroscopic factors are studied via numerical examples for two models of sup(6)Li. It is concluded that, in a relative sense, the spectroscopic factor, which is more directly related to experiment, is also characteristic of the clustering contents of different states of the same nucleus, but it can not be used for comparisons between different nuclei or clusterings. (author)

  12. Thermodynamic and kinetic properties of amorphous and liquid states

    International Nuclear Information System (INIS)

    Granato, A.V.

    1998-01-01

    The magnitude and temperature dependence of the liquid state shear modulus G, specific heat C p , diffusivity D, and viscosity η should all be closely related, according to the interstitialcy model, if a recent proposal by Dyre et al. is generally true. They suppose that the viscosity is given by η = η 0 exp (F/kT), where η 0 is a reference viscosity and F is given by the work required to shove aside neighboring particle in a diffusion process, where F = GV c and V c is a characteristic volume. In the interstitialcy model the high frequency thermodynamic liquid state shear modulus is given by G(T) = G 0 exp [-γ(T/T 0 - 1)], where G 0 is the shear modulus at a reference temperature T 0 , which can be taken as the glass temperature. The resulting non-Arrhenius behavior of the viscosity is compared with experimental data. A critical quantitative analysis for a Zr 41.2 Ti 13.8 Cu 12.5 Ni 10 Be 225 alloy does not support the shoving model, but the thermodynamic properties can be understood in terms of mixed interstitials composed of metal-beryllium complexes

  13. Toxic properties of nanostructures: current state of question

    International Nuclear Information System (INIS)

    Petrovskaya, E.G.; Smol'nik, N.S.; Mel'nov, S.B.

    2014-01-01

    Manifestation of the toxic properties of engineered nanomaterials in the interaction with biological objects defined unusual physicochemical properties, structural features and the size of nanoparticles. (authors)

  14. Colour-rendition properties of solid-state lamps

    International Nuclear Information System (INIS)

    Zukauskas, A; Vaicekauskas, R; Shur, M S

    2010-01-01

    The applicability of colour-quality metrics to solid-state light sources is validated and the results of the assessment of colour-rendition characteristics of various lamps are presented. The standard colour-rendering index metric or a refined colour-quality scale metric fails to distinguish between two principle colour-rendition properties of illumination: the ability to render object colours with high fidelity and the ability to increase chromatic contrast, especially when the spectra of light sources contain a few narrow-band electroluminescence components. Supplementing these metrics by the known figures of merit that measure the gamut area of a small number of test colour samples does not completely resolve this issue. In contrast, the statistical approach, which is based on sorting a very large number of test colour samples in respect of just-perceivable colour distortions of several kinds, offers a comprehensive assessment of colour-rendition properties of solid-state light sources. In particular, two statistical indices, colour-fidelity index (CFI) and colour-saturation index (CSI), which are the relative numbers of object colours rendered with high fidelity and increased saturation, respectively, are sufficient to reveal and assess three distinct types of solid-state light sources. These are (i) high-fidelity lamps, which cover the entire spectrum with the spectral components present in the wavelength ranges of both 530-610 nm and beyond 610 nm (e.g. trichromatic warm white phosphor-converted (pc) light-emitting diodes (LEDs), red-amber-green-blue LED clusters, complementary clusters of white and coloured LEDs); (ii) colour-saturating lamps, which lack power in the 530-610 nm wavelength range (e.g. red-green-blue or red-cyan-blue LED clusters) and (iii) colour-dulling lamps, which lack power for wavelengths longer than 610 nm (dichromatic daylight pc LEDs and amber-green-blue LED clusters). Owing to a single statistical format, CSI and CFI can be used for

  15. Colour-rendition properties of solid-state lamps

    Energy Technology Data Exchange (ETDEWEB)

    Zukauskas, A [Institute of Applied Research, Vilnius University, Sauletekio al. 9, bldg. III, Vilnius, LT-10222 (Lithuania); Vaicekauskas, R [Department of Computer Science, Vilnius University, Naugarduko g. 24, Vilnius, LT-03225 (Lithuania); Shur, M S, E-mail: arturas.zukauskas@ff.vu.l [Department of Electrical, Computer, and System Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY 12180 (United States)

    2010-09-08

    The applicability of colour-quality metrics to solid-state light sources is validated and the results of the assessment of colour-rendition characteristics of various lamps are presented. The standard colour-rendering index metric or a refined colour-quality scale metric fails to distinguish between two principle colour-rendition properties of illumination: the ability to render object colours with high fidelity and the ability to increase chromatic contrast, especially when the spectra of light sources contain a few narrow-band electroluminescence components. Supplementing these metrics by the known figures of merit that measure the gamut area of a small number of test colour samples does not completely resolve this issue. In contrast, the statistical approach, which is based on sorting a very large number of test colour samples in respect of just-perceivable colour distortions of several kinds, offers a comprehensive assessment of colour-rendition properties of solid-state light sources. In particular, two statistical indices, colour-fidelity index (CFI) and colour-saturation index (CSI), which are the relative numbers of object colours rendered with high fidelity and increased saturation, respectively, are sufficient to reveal and assess three distinct types of solid-state light sources. These are (i) high-fidelity lamps, which cover the entire spectrum with the spectral components present in the wavelength ranges of both 530-610 nm and beyond 610 nm (e.g. trichromatic warm white phosphor-converted (pc) light-emitting diodes (LEDs), red-amber-green-blue LED clusters, complementary clusters of white and coloured LEDs); (ii) colour-saturating lamps, which lack power in the 530-610 nm wavelength range (e.g. red-green-blue or red-cyan-blue LED clusters) and (iii) colour-dulling lamps, which lack power for wavelengths longer than 610 nm (dichromatic daylight pc LEDs and amber-green-blue LED clusters). Owing to a single statistical format, CSI and CFI can be used for

  16. Ground state properties of MnB{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Winter, Jan Lennart; Steinki, Nico; Schulze Grachtrup, Dirk; Menzel, Dirk; Suellow, Stefan [Institut fuer Physik der Kondensierten Materie, TU Braunschweig (Germany); Knappschneider, Arno; Albert, Barbara [Eduard-Zintl-Institut fuer Anorganische und Physikalische Chemie, TU Darmstadt (Germany)

    2016-07-01

    Recently, single crystalline MnB{sub 4} was synthesized for the first time, yielding microscale crystals with dimensions of the order of 200 μm. Based on band structure calculations, it was argued that the material is semiconducting as result of a Peierls distortion. Conversely, in a study of polycrystalline material it was concluded that the material is a weakly ferromagnetic metal. To establish if MnB{sub 4} is a semiconductor we have carried out single crystal four point resistivity measurements. For this purpose a setup for measuring microscale samples was developed and characterized. Qualitatively, we find semiconducting behavior (increasing resistivity for decreasing temperature), although a band gap could not be derived because of a non-linear Arrhenius plot. Our data are consistent with MnB{sub 4} being a pseudogap/small gap material as proposed. A pronounced sample dependence of the transport properties points to the presence of impurity states. For the single crystals no ferromagnetic signatures could be obtained, suggesting an extrinsic cause of it in polycrystalline material.

  17. Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes.

    Science.gov (United States)

    Fayet, Guillaume; Jacquemin, Denis; Wathelet, Valérie; Perpète, Eric A; Rotureau, Patricia; Adamo, Carlo

    2010-02-26

    This work presents a quantitative structure-property relationship (QSPR)-based approach allowing an accurate prediction of the excited-state properties of organic dyes (anthraquinones and azobenzenes) from ground-state molecular descriptors, obtained within the (conceptual) density functional theory (DFT) framework. The ab initio computation of the descriptors was achieved at several levels of theory, so that the influence of the basis set size as well as of the modeling of environmental effects could be statistically quantified. It turns out that, for the entire data set, a statistically-robust four-variable multiple linear regression based on PCM-PBE0/6-31G calculations delivers a R(adj)(2) of 0.93 associated to predictive errors allowing for rapid and efficient dye design. All the selected descriptors are independent of the dye's family, an advantage over previously designed QSPR schemes. On top of that, the obtained accuracy is comparable to the one of the today's reference methods while exceeding the one of hardness-based fittings. QSPR relationships specific to both families of dyes have also been built up. This work paves the way towards reliable and computationally affordable color design for organic dyes. Copyright 2009 Elsevier Inc. All rights reserved.

  18. Ce3+ 5d-centroid shift and vacuum referred 4f-electron binding energies of all lanthanide impurities in 150 different compounds

    International Nuclear Information System (INIS)

    Dorenbos, Pieter

    2013-01-01

    A review on the wavelengths of all five 4f–5d transitions for Ce 3+ in about 150 different inorganic compounds (fluorides, chlorides, bromides, iodides, oxides, sulfides, selenides, nitrides) is presented. It provides data on the centroid shift and the crystal field splitting of the 5d-configuration which are then used to estimate the Eu 2+ inter 4f-electron Coulomb repulsion energy U(6,A) in compound A. The four semi-empirical models (the redshift model, the centroid shift model, the charge transfer model, and the chemical shift model) on lanthanide levels that were developed past 12 years are briefly reviewed. It will be demonstrated how those models together with the collected data of this work and elsewhere can be united to construct schemes that contain the binding energy of electrons in the 4f and 5d states for each divalent and each trivalent lanthanide ion relative to the vacuum energy. As example the vacuum referred binding energy schemes for LaF 3 and La 2 O 3 will be constructed. - Highlights: ► An compilation on all five Ce 3+ 4f–5d energies in 150 inorganic compounds is presented. ► The relationship between the 5d centroid shift and host cation electronegativity id demonstrated. ► The electronic structure scheme of the lanthanides in La 2 O 3 and LaF 3 is presented.

  19. Thermophysical properties of sodium in the liquid and gaseous states

    International Nuclear Information System (INIS)

    Thurnay, K.

    1981-02-01

    A system of temperature and density dependent thermal-property-functions has been developed and checked for the sodium, using all of the accessible experimental data and the mutual relationships of the properties. In extending these properties beyond the range of the measurements substance independent physical relations have been used. The property-descriptions are valid for all temperatures above the melting point of the sodium and for all densities below the melting density of the liquid. The system consists of the following thermal properties: pressure, heat capacity at constant volume, thermal conductivity. (orig.) [de

  20. Current Law Limits the State Department's Authority to Manage Certain Overseas Properties Cost Effectively

    National Research Council Canada - National Science Library

    Ford, Jess

    2002-01-01

    The Department of State is the central manager for real estate at U.S. embassies and consulates and has the statutory authority to sell properties and use the sales proceeds to acquire and maintain other overseas properties...

  1. Liquid state properties of certain noble and transition metals

    International Nuclear Information System (INIS)

    Bhuiyan, G.M.; Rahman, A.; Khaleque, M.A.; Rashid, R.I.M.A.; Mujibur Rahman, S.M.

    1998-07-01

    Certain structural, thermodynamic and atomic transport properties of a number of liquid noble and transition metals are reported. The underlying theory combines together a simple form of the N-body potential and the thermodynamically self-consistent variational modified hypernetted chain (VMHNC) theory of liquid. The static structure factors calculated by using the VMHNC resemble the hard sphere (HS) values. Consequently the HS model is used to calculate the thermodynamic properties viz. specific heat, entropy, isothermal compressibility and atomic transport properties. (author)

  2. Electrical resistivity of 5 f -electron systems affected by static and dynamic spin disorder

    Science.gov (United States)

    Havela, L.; Paukov, M.; Buturlim, V.; Tkach, I.; Drozdenko, D.; Cieslar, M.; Mašková, S.; Dopita, M.; Matěj, Z.

    2017-06-01

    Metallic 5 f materials have very strong coupling of magnetic moments and electrons mediating electrical conduction. It is caused by strong spin-orbit interaction, coming with high atomic number Z , together with involvement of the 5 f states in metallic bonding. We have used the recently discovered class of uranium (ultra)nanocrystalline hydrides, which are ferromagnets with high ordering temperature, to disentangle the origin of negative temperature coefficient of electrical resistivity. In general, the phenomenon of electrical resistivity decreasing with increasing temperature in metals can have several reasons. The magnetoresistivity study of these hydrides reveals that quantum effects related to spin-disorder scattering can explain the resistivity behavior of a broad class of actinide compounds.

  3. An assessment of interstate safety investment properties in Washington state.

    Science.gov (United States)

    2014-12-01

    The Washington State Department of Transportation (WSDOT) commissioned the current study, targeting the entire interstate : mainline network in Washington State, to provide strategic direction to multi-biennial investment interstate locations that of...

  4. Ground state structures and properties of small hydrogenated silicon

    Indian Academy of Sciences (India)

    Unknown

    To understand the structural evolutions and properties of silicon cluster due to hydrogenation ... partly due to the growing importance of these systems in applications like .... of the system. Using the Lagrangian (1), equations of motions for the.

  5. 12 CFR 617.7630 - Does this Federal requirement affect any state property laws?

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 6 2010-01-01 2010-01-01 false Does this Federal requirement affect any state property laws? 617.7630 Section 617.7630 Banks and Banking FARM CREDIT ADMINISTRATION FARM CREDIT SYSTEM BORROWER RIGHTS Right of First Refusal § 617.7630 Does this Federal requirement affect any state property...

  6. Magnetic properties of RT2Zn20; R = rare earth, T = Fe, Co, Ru, Rh, Os and Ir

    International Nuclear Information System (INIS)

    Jia, Shuang

    2008-01-01

    It is well known that rare earth intermetallic compounds have versatile, magnetic properties associated with the 4f electrons: a local moment associated with the Hund's rule ground state is formed in general, but a strongly correlated, hybridized state may also appear for specific 4f electronic configuration (eg. for rare earth elements such as Ce or Yb). On the other hand, the conduction electrons in rare earth intermetallic compounds, certainly ones associated with non hybridizing rare earths, usually manifest non-magnetic behavior and can be treated as a normal, non-interacted Fermi liquid, except for some 3d-transition metal rich binary or ternary systems which often manifest strong, itinerant, d electron dominant magnetic behavior. Of particular interest are examples in which the band filling of the conduction electrons puts the system in the vicinity of a Stoner transition: such systems, characterized as nearly or weakly ferromagnet, manifest strongly correlated electronic properties (Moriya, 1985). For rare earth intermetallic compounds, such systems provide an additional versatility and allow for the study of the behaviors of local moments and hybridized moments which are associated with 4f electron in a correlated conduction electron background.

  7. Reconciling State Aid and Property Tax Relief for Urban Schools: Birthing a New STAR in New York State

    Science.gov (United States)

    Eom, Tae Ho; Killeen, Kieran M.

    2007-01-01

    Similar to many property tax relief programs, New York State's School Tax Relief (STAR) program has been shown to exacerbate school resource inequities across urban, suburban, and rural schools. STAR's inherent conflict with the wealth equalization policies of New York State's school finance system are highlighted in a manner that effectively…

  8. State property tax programs promoting sustainable forests in the United States: A review of program structure and administration

    Science.gov (United States)

    Michael Kilgore; Paul Ellefson; Travis Funk; Gregory E. Frey

    2018-01-01

    Financial incentives offered by state property tax programs are a means of promoting goods and services from private forestland. Identified by a 50-state review in 2014–2015, these incentives often require adherence to several conditions including valid ownership and use of forestland, correct size of parcel and suitable forest...

  9. Electronic structure properties of UO2 as a Mott insulator

    Science.gov (United States)

    Sheykhi, Samira; Payami, Mahmoud

    2018-06-01

    In this work using the density functional theory (DFT), we have studied the structural, electronic and magnetic properties of uranium dioxide with antiferromagnetic 1k-, 2k-, and 3k-order structures. Ordinary approximations in DFT, such as the local density approximation (LDA) or generalized gradient approximation (GGA), usually predict incorrect metallic behaviors for this strongly correlated electron system. Using Hubbard term correction for f-electrons, LDA+U method, as well as using the screened Heyd-Scuseria-Ernzerhof (HSE) hybrid functional for the exchange-correlation (XC), we have obtained the correct ground-state behavior as an insulator, with band gaps in good agreement with experiment.

  10. Solid state protein monolayers: Morphological, conformational, and functional properties

    Science.gov (United States)

    Pompa, P. P.; Biasco, A.; Frascerra, V.; Calabi, F.; Cingolani, R.; Rinaldi, R.; Verbeet, M. Ph.; de Waal, E.; Canters, G. W.

    2004-12-01

    We have studied the morphological, conformational, and electron-transfer (ET) function of the metalloprotein azurin in the solid state, by a combination of physical investigation methods, namely atomic force microscopy, intrinsic fluorescence spectroscopy, and scanning tunneling microscopy. We demonstrate that a "solid state protein film" maintains its nativelike conformation and ET function, even after removal of the aqueous solvent.

  11. 77 FR 27669 - Modifications to Definition of United States Property

    Science.gov (United States)

    2012-05-11

    ... contracts. The temporary regulations provide that certain obligations of United States persons arising from upfront payments made by controlled foreign corporations pursuant to contracts that are cleared by a... the meaning of section 956(c)) for obligations of United States persons arising from certain upfront...

  12. Fluid phases of hydrogen-bound states and thermodynamical properties

    International Nuclear Information System (INIS)

    Ebeling, W.; Kraeft, W.D.

    1985-08-01

    The fluid phases of hydrogen and especially the existence of two critical points, the density dependence of the two - particle states and the effective interactions are discussed. An effective Schroedinger equation and a Saha equation are given. (author)

  13. Physical properties of a new coherent state of the almost-degenerate infinite-U lattice Anderson model

    International Nuclear Information System (INIS)

    Tolpin, A.E.

    1992-01-01

    A new approach toward understanding the heavy-fermion systems (HFS) within a framework of the almost-degenerate lattice Anderson Hamiltonian in the Kondo regime is proposed. In the coherent low-temperature regime, operators in the effective Hamiltonian are found to belong to an SU(2J + 3) dynamical algebra. A canonical transformation is employed to decouple the quasiparticle branches, thereby setting up the decoupling equation. It is found that this decoupling equation has a solution of the symmetry-altering type. The thermodynamic response functions and other quantities are calculated for this new state. This solution is a consequence of the degeneracy of the uncoupled f-orbitals. It is characterized by the interatomic hopping of f-electrons, which produces the spin-delocalization regime and with the renormalized f-level pinned close to the Fermi level. This is also found to be the source of the apparent spin-compensation regime, which is accompanied by large enhancement of the thermodynamic response functions. In addition, the calculated phase coherence length is found to be much greater than a lattice constant, thereby showing a many-body character of this new state. It is believed that this new state provides an accurate description of the heavy-fermion state at low temperatures. The stability conditions for the new regime are also discussed

  14. Transport Properties of the Metallic State of TMTSF-DMTCNQ

    DEFF Research Database (Denmark)

    Bechgaard, Klaus; Andersen, Jan Rud; Andrieux, A.

    1979-01-01

    The authors report the transport properties (longitudinal and transverse conductivity, magnetoresistance and thermopower) of TMTSF-DMTCNQ for pressures up to 13 kbar and temperatures down to 1.2K together with the phase diagram which results from these measurements. The most striking results...... at any temperature (σ∥≳105 (Ωcm)-1) and an enormous magnetoresistance Δρ/ρ≈15) is found for a field of 75 kOe perpendicular to the conducting chains...

  15. Spectroscopic properties of the S1 state of linear carotenoids after excess energy excitation

    Science.gov (United States)

    Kuznetsova, Valentyna; Southall, June; Cogdell, Richard J.; Fuciman, Marcel; Polívka, Tomáš

    2017-09-01

    Properties of the S1 state of neurosporene, spheroidene and lycopene were studied after excess energy excitation in the S2 state. Excitation of carotenoids into higher vibronic levels of the S2 state generates excess vibrational energy in the S1 state. The vibrationally hot S1 state relaxes faster when carotenoid is excited into the S2 state with excess energy, but the S1 lifetime remains constant regardless of which vibronic level of the S2 state is excited. The S∗ signal depends on excitation energy only for spheroidene, which is likely due to asymmetry of the molecule, facilitating conformations responsible for the S∗ signal.

  16. Physical properties of 134 soils in six northeastern states

    Science.gov (United States)

    A. R. Eschner; B. O. Jones; R. C. Moyle

    1957-01-01

    From June 1954 to July 1955 the Vicksburg Infiltration Project collected and analyzed samples from 134 sites in six Northeastern States; the samples included 79 soil series and 114 soil types. This work was done to supply the U. S. Army with information needed for specialized research on military traffic ability. The basic data are herein presented because of their...

  17. Psychometric Properties of the Folstein Mini-Mental State Examination

    Science.gov (United States)

    Lopez, Michael N.; Charter, Richard A.; Mostafavi, Beeta; Nibut, Lorraine P.; Smith, Whitney E.

    2005-01-01

    Criterion-referenced (Livingston) and norm-referenced (Gilmer-Feldt) techniques were used to measure the internal consistency reliability of Folsteins Mini-Mental State Examination (MMSE) on a large sample (N = 418) of elderly medical patients. Two administration and scoring variants of the MMSE Attention and Calculation section (Serial 7s only…

  18. PREDICTION OF CHROMATIN STATES USING DNA SEQUENCE PROPERTIES

    KAUST Repository

    Bahabri, Rihab R.

    2013-01-01

    to a particular chromatin state. Of four classification algorithms (C4.5, Naive Bayes, Random Forest, and SVM) used for this purpose, the decision tree based classifiers (C4.5 and Random Forest) yielded best results among those we evaluated. Our results

  19. Quantum states with topological properties via dipolar interactions

    Energy Technology Data Exchange (ETDEWEB)

    Peter, David

    2015-06-25

    This thesis proposes conceptually new ways to realize materials with topological properties by using dipole-dipole interactions. First, we study a system of ultracold dipolar fermions, where the relaxation mechanism of dipolar spins can be used to reach the quantum Hall regime. Second, in a system of polar molecules in an optical lattice, dipole-dipole interactions induce spin-orbit coupling terms for the rotational excitations. In combination with time-reversal symmetry breaking this leads to topological bands with Chern numbers greater than one.

  20. Magnetic properties of RT2Zn20; R = rare earth, T = Fe, Co, Ru, Os and Ir

    Energy Technology Data Exchange (ETDEWEB)

    Jia, Shuang [Ames Lab. and Iowa State Univ., Ames, IA (United States)

    2008-01-01

    It is well known that rare earth intermetallic compounds have versatile, magnetic properties associated with the 4f electrons: a local moment associated with the Hund's rule ground state is formed in general, but a strongly correlated, hybridized state may also appear for specific 4f electronic configuration (eg. for rare earth elements such as Ce or Yb). On the other hand, the conduction electrons in rare earth intermetallic compounds, certainly ones associated with non hybridizing rare earths, usually manifest non-magnetic behavior and can be treated as a normal, non-interacted Fermi liquid, except for some 3d-transition metal rich binary or ternary systems which often manifest strong, itinerant, d electron dominant magnetic behavior. Of particular interest are examples in which the band filling of the conduction electrons puts the system in the vicinity of a Stoner transition: such systems, characterized as nearly or weakly ferromagnet, manifest strongly correlated electronic properties [Moriya, 1985]. For rare earth intermetallic compounds, such systems provide an additional versatility and allow for the study of the behaviors of local moments and hybridized moments which are associated with 4f electron in a correlated conduction electron background.

  1. Properties of the Excited States of Molecular Ions.

    Science.gov (United States)

    1981-04-13

    FIg. 1). techniques have beest applied to the study of quartet states of Oi. The four potential curves most relevant Guyon et al., using a synchrotron...8217 a’ a a C ’U ~ ~ ~ ~ ~ ~ ~ 2 2,~ C a ’I C~- C ’ 𔃺 𔃺 𔃺 ’ ’ C- ~ C-E-38- ’- u A() A09a 265 SRI INTERNATIONAL 14FNLO PARK CA MOLECULAR PHYSICS LAB F

  2. Effect of dielectric medium on the nonclassical properties of nonlinear sphere coherent states

    Directory of Open Access Journals (Sweden)

    E Amooghorban

    2014-04-01

    Full Text Available In order to investigate the effect of a medium with dissipation and dispersion and also the curvature of the physical space on the properties of the incident quantum states, we use the quantization of electromagnetic field based on phenomenological approach to obtain input-output relations between radiations on both sides of dielectric slab. By using these relations the fidelity, the Wigner function, and also the quantum correlation of the outgoing state through dielectric slab are obtained for a situation in which the rightward incident state is a nonlinear coherent state on a sphere and the leftward incident state is a vacuum state. Here, the incident states are considered monochromatic and the modeling of the medium is given by the Lorentz' model. Accordingly, we study nonclassical properties of the output states such as the quantum entanglement. It will be observed that the nonclassical properties of the outgoing states depend strongly on the optical property of the medium and also on the curvature of the physical state.

  3. Impact of solid state fermentation on nutritional, physical and flavor properties of wheat bran.

    Science.gov (United States)

    Zhao, Hui-Min; Guo, Xiao-Na; Zhu, Ke-Xue

    2017-02-15

    To improve the nutritional, physical and flavor properties of wheat bran, yeast and lactic acid bacteria (LAB) were used for fermenting wheat bran in solid state. Appearance properties, nutritional properties, microstructure, hydration properties and flavor of raw bran and fermented bran were evaluated. After treatments, water extractable arabinoxylans were 3-4 times higher than in raw bran. Total dietary fiber and soluble dietary fiber increased after solid state fermentation. Over 20% of phytic acid was degraded. Microstructure changes and protein degradation were observed in fermented brans. Water holding capacity and water retention capacity of fermented brans were improved. Results suggest that solid state fermentation is an effective way to improve the properties of wheat brans. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. The influence of the anisotropic stress state on the intermediate strain properties of granular material

    KAUST Repository

    Goudarzy, M.; Kö nig, D.; Santamarina, Carlos; Schanz, T.

    2017-01-01

    This paper shows the effect of anisotropic stress state on intermediate strain properties of cylindrical samples containing spherical glass particles. Tests were carried out with the modified resonant column device available at Ruhr

  5. STATE DEPARTMENT: Sale of Unneeded Overseas Property Has Increased, but Further Improvements Are Necessary

    National Research Council Canada - National Science Library

    2002-01-01

    .... In 1996, we reported that the State Department did not have an effective process for identifying and selling unneeded overseas real estate, and that decisions concerning the sale of some properties...

  6. Public-Private Partnership Potential in Property Management of Russia and Belarus Union State

    Directory of Open Access Journals (Sweden)

    A P Vihrjan

    2010-09-01

    Full Text Available The article describes a possibility of implementation of an institute of public-private partnership, mainly concessions, as a notable component of management system of the Union State's of Russia and Belarus Property.

  7. Industrial property for science’s management, technology and innovation in Cuban State companies

    OpenAIRE

    Contreras Villavicencio, Dulce María; Suárez Gutiérrez, Evelio; Moreno Cruz, Marta Milagros; Correa Álvarez, Pascual

    2017-01-01

    The paper synthesizes some research on industrial property aspects from the socio-legal perspective and financial accounting. Its focus to the socialist state enterprise adaptation in his economic fact, social and environmental responsibility as a fundamental Cuban model reach, competitiveness and high performance in socialist state enterprise. It outlines criteria on the ordering and implementation of industrial property through the management of science and technology, protection and dissem...

  8. Solving the critical state using flux line properties

    International Nuclear Information System (INIS)

    Campbell, A M

    2014-01-01

    A method of solving the critical state in superconductors using the vector potential and commercial software (FlexPDE) is described. It avoids both time dependence and power law resistivity. It uses a material parameter which describes how far flux lines move before most become unpinned. This allows small oscillations and minor hysteresis loops to be modelled. The theory is applied to the problem of demagnetisation in bulks due to crossed fields. It may explain why experimental results do not agree with theory. The theory can be extended to coils, and two and three dimensions. This requires the introduction of a scalar potential V o . This is not the usual scalar potential, which is due to electrostatic charges as the field is run up, but the integral of this value at the final field after charges have dissipated. (paper)

  9. Processing and properties of solid state nitrided stainless steels

    International Nuclear Information System (INIS)

    Rennhard, C.A.P.

    1993-02-01

    The properties of austenitic steels and duplex-steels are significantly improved by nitrogen (N) addition. In the present investigation, new alloys were produced and characterized using the high solid N-solubility and diffusion alloying from the gas phase. Most suitable base materials are powder, wire or sheet because of the short diffusion distance. PM-materials were in-can nitrided or treated in a fluidized bed and compacted by Hot Isostatic Pressing (HIP) or hot extrusion. The impact toughness level of PM alloys at room temperature is about 120 to 200 J, compared to 250 to 300 J for steels with equal strength that are produced by ingot metallurgy (IM). The toughness can be improved by high temperature deformation such as forging, hot rolling or hot extrusion or by removing the oxide layer on the particle surface by hydrogen gas reduction. A duplex steel with 22 Cr, 5.6 Ni and 2.7 Mo was transformed to a fully austenitic steel with over 500 MPa yield strength by increasing the N content from 0.2 to 0.65 weight-percent. The expensive Ni can successfully be replaced by N. Nitrided wire material is the base material for cold deformed high-strength wire. The improved strain hardening rate of nitrogen alloyed steels helps to achieve ductile and corrosion resistant materials with strength up to 2200 MPa. Sheet materials were diffusion bonded in the HIP or compacted in a 5000 kN press immediately after in-can nitriding to form solid blocks. Nitrided powder, wire and sheet materials lead to near net shape products that cannot be produced by conventional ingot metallurgy or would require the expensive high-pressure metallurgy. (author) 67 figs., tabs., 70 refs

  10. Electromagnetic properties of the three-nucleon ground state

    International Nuclear Information System (INIS)

    Strueve, W.

    1985-01-01

    The electromagnetic form factors of the three-nucleon ground state are calculated on the base of an exact solution of the Faddeev equations. In a Hilbert space of nucleons and a possible Δ-isobar the effects of a non-perturbative description of the Δ-isobar on the magnetic form factors are studied. Pure nucleonic current operators with two- and three-particle character can be described in the extended Hilbert space by simpler one-body operators. Additionally nonrelativistic meson-exchange corrections due to π and ρ exchange are calculated consistently with the requirements of current conservation. Further relativistic corrections are estimated on selected examples. The calculations yield a total magnetic contribution of the Δ-isobar which is smaller than hitherto assumed, a static approximation of the Δ propagation is proved as inadmissible and must be rejected. Together with the meson-exchange corrections a well agreement with the experimental data at low momentum transfers results. Especially the magnetic moments and magnetization radii can be explained. For higher momentum transfers the results show the importance of further corrections. The regard of selected relativistic corrections leads to a good description of the experimental magnetic form factors. Also by this way the position of the minimum and the height of the second maximum in the 3 He charge form factor can be explained. The comparison with the latest experimental results reveals furthermore unresolved problems in the description of the 3 H charge form factor. (orig.) [de

  11. Stability and related properties of vacua and ground states

    International Nuclear Information System (INIS)

    Wreszinski, Walter F.; Jaekel, Christian D.

    2008-01-01

    We consider the formal non-relativistic limit (nrl) of the :φ 4 : s+1 relativistic quantum field theory (rqft), where s is the space dimension. Following the work of R. Jackiw [R. Jackiw, in: A. Ali, P. Hoodbhoy (Eds.), Beg Memorial Volume, World Scientific, Singapore, 1991], we show that, for s = 2 and a given value of the ultraviolet cutoff κ, there are two ways to perform the nrl: (i) fixing the renormalized mass m 2 equal to the bare mass m 0 2 ; (ii) keeping the renormalized mass fixed and different from the bare mass m 0 2 . In the (infinite-volume) two-particle sector the scattering amplitude tends to zero as κ → ∞ in case (i) and, in case (ii), there is a bound state, indicating that the interaction potential is attractive. As a consequence, stability of matter fails for our boson system. We discuss why both alternatives do not reproduce the low-energy behaviour of the full rqft. The singular nature of the nrl is also nicely illustrated for s = 1 by a rigorous stability/instability result of a different nature

  12. Influence of ground state correlations on the properties of the first 2+ and 3- states in some Sm isotopes

    International Nuclear Information System (INIS)

    Navrotskaya-Rybarska, V.; Stoyanova, O.; Stoyanov, Ch.

    1980-01-01

    The influence of ground state correlations and of their coupling with the phonon amplitudes on the properties of the first collective states is investigated in some Sm isotopes. Equations for the eXcited state energies are derived using the variational principle. Formulae for the gap and quasiparticle energies are given. The numerical calculations are performed for sup(144-150)Sm. The energies of the 2 + - and 3 - - states and the B(E2) and B(E3) electric transition probability values are presented. The effects studied are shown to be small for sup(144-146)Sm but the collectivity of the 2sub(1)sup(+) and 3sub(1)sup(-) states decreases strongly for 150 Sm [ru

  13. Properties of hadronic final states in diffractive deep inelastic ep scattering at DESY HERA

    International Nuclear Information System (INIS)

    2002-01-01

    Characteristics of the hadronic final state of diffractive deep inelastic scattering events ep→eXp were studied in the kinematic range 4 X 2 2 , 70 P <0.03 with the ZEUS detector at the DESY ep collider HERA using an integrated luminosity of 13.8 pb-1. The events were tagged by identifying the diffractively scattered proton using the leading proton spectrometer. The properties of the hadronic final state X were studied in its center-of-mass frame using thrust, thrust angle, sphericity, energy flow, transverse energy flow, and 'seagull' distributions. As the invariant mass of the system increases, the final state becomes more collimated, more aligned, and more asymmetric in the average transverse momentum with respect to the direction of the virtual photon. Comparisons of the properties of the hadronic final state with predictions from various Monte Carlo model generators suggest that the final state is dominated by qq-barg states at the parton level

  14. Generation of a Kind of Displaced Thermal States in the Diffusion Process and its Statistical Properties

    Science.gov (United States)

    Xiang-Guo, Meng; Hong-Yi, Fan; Ji-Suo, Wang

    2018-04-01

    This paper proposes a kind of displaced thermal states (DTS) and explores how this kind of optical field emerges using the entangled state representation. The results show that the DTS can be generated by a coherent state passing through a diffusion channel with the diffusion coefficient ϰ only when there exists κ t = (e^{\\hbar ν /kBT} - 1 )^{-1}. Also, its statistical properties, such as mean photon number, Wigner function and entropy, are investigated.

  15. Enhanced thermoelectric performance with participation of F-electrons in β-Zn{sub 4}Sb{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Mian; Qin, Xiaoying, E-mail: xyqin@issp.ac.cn; Liu, Changsong; Li, Xiyu; Yang, Xiuhui

    2014-01-25

    Highlights: • Find an effective route to enhance the thermoelectric figure of merit of β-Zn{sub 4}Sb{sub 3}. • Provide the corresponding theoretical predictions. • Investigated the effects of doping Ce and Pr in β-Zn{sub 4}Sb{sub 3}. -- Abstract: The effects of rare-earth element impurities Ce and Pr on the electronic structure and thermoelectric properties of β-Zn{sub 4}Sb{sub 3} were investigated by performing self-consistent ab initio electronic structure calculations within density functional theory and solving the Boltzmann transport equations within the relaxation time approximation. The results demonstrated that these rare-earth element impurities with f orbitals could introduce giant sharp resonant peaks in the density of states (DOS) near the host valence band maximum in energy. And these deliberately engineered DOS peaks result in a sharp increase of the room-temperature Seebeck coefficient and power factor from those of impurity-free system by a factor of 100 and 22, respectively. Additionally, with the simultaneous declining of carrier thermal conductivity, a potential 5-fold increase at least with Ce doping and more than 3 times increase with Pr doping in the thermoelectric figure of merit of β-Zn{sub 4}Sb{sub 3} at room temperature are achieved. The effective DOS restructuring strategy opens up new opportunities for thermoelectric power generation and waste heat recovery at large scale.

  16. Phase Properties of Photon-Added Coherent States for Nonharmonic Oscillators in a Nonlinear Kerr Medium

    Science.gov (United States)

    Jahanbakhsh, F.; Honarasa, G.

    2018-04-01

    The potential of nonharmonic systems has several applications in the field of quantum physics. The photon-added coherent states for annharmonic oscillators in a nonlinear Kerr medium can be used to describe some quantum systems. In this paper, the phase properties of these states including number-phase Wigner distribution function, Pegg-Barnett phase distribution function, number-phase squeezing and number-phase entropic uncertainty relations are investigated. It is found that these states can be considered as the nonclassical states.

  17. Quantum entanglement and nonlocality properties of two-mode Gaussian squeezed states

    International Nuclear Information System (INIS)

    Shao-Hua, Xiang; Bin, Shao; Ke-Hui, Song

    2009-01-01

    Quantum entanglement and nonlocality properties of a family of two-mode Gaussian pure states have been investigated. The results show that the entanglement of these states is determined by both the two-mode squeezing parameter and the difference of the two single-mode squeezing parameters. For the same two-mode squeezing parameter, these states show larger entanglement than the usual two-mode squeezed vacuum state. The violation of Bell inequality depends strongly on all the squeezing parameters of these states and disappears completely in the limit of large squeezing. In particular, these states can exhibit much stronger violation of local realism than two-mode squeezed vacuum state in the range of experimentally available squeezing values. (general)

  18. Properties of the triplet metastable states of the alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2004-01-01

    The static and dynamic properties of the alkaline-earth-metal atoms in their metastable state are computed in a configuration interaction approach with a semiempirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths, and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described

  19. Molecular and solid-state properties of tris-(8-hydroxyquinolate)-aluminum

    International Nuclear Information System (INIS)

    Martin, Richard L.; Kress, Joel D.; Campbell, I. H.; Smith, D. L.

    2000-01-01

    We use a hybrid density-functional-theory approach to calculate ground-state electronic properties and a time-dependent density-functional-theory approach to investigate the excited state electronic properties of molecular tris-(8-hydroxyquinolate)-aluminum, Alq. The calculated molecular results are compared with measurements on dense solid-state films of Alq. We specifically consider: the optical absorption spectrum near the fundamental absorption threshold, the ionization potential, the single-particle energy gap, the static dielectric constant, and the electric-field dependence of the electron mobility. We find that the molecular calculations can describe the optical absorption spectrum near the fundamental absorption threshold without significant corrections for solid-state effects. The energies of the triplet excited states are computed and the lowest triplet is found to lie 0.64 eV below the lowest excited singlet state. In contrast, large dielectric corrections must be included for the molecular calculations to describe the ionization potential and single-particle energy gap. When these dielectric corrections are made, using the calculated molecular polarizability, which accurately gives the measured static dielectric constant, both the ionization potential and single-particle energy gap are well described. The calculated molecular dipole moment can be used to interpret the electric-field dependence of the electron mobility. The solid-state properties, determined from the molecular calculations, are then used in a device model to describe the measured current-voltage characteristics in Alq diodes. (c) 2000 The American Physical Society

  20. Gap states and edge properties of rectangular graphene quantum dot in staggered potential

    Science.gov (United States)

    Jeong, Y. H.; Eric Yang, S.-R.

    2017-09-01

    We investigate edge properties of a gapful rectangular graphene quantum dot in a staggered potential. In such a system gap states with discrete and closely spaced energy levels exist that are spatially located on the left or right zigzag edge. We find that, although the bulk states outside the energy gap are nearly unaffected, spin degeneracy of each gap state is lifted by the staggered potential. We have computed the occupation numbers of spin-up and -down gap states at various values of the strength of the staggered potential. The electronic and magnetic properties of the zigzag edges depend sensitively on these numbers. We discuss the possibility of applying this system as a single electron spintronic device.

  1. Local Properties of Solutions to Non-Autonomous Parabolic PDEs with State-Dependent Delays

    Czech Academy of Sciences Publication Activity Database

    Rezunenko, Oleksandr

    2012-01-01

    Roč. 2, č. 2 (2012), s. 56-71 ISSN 2158-611X R&D Projects: GA ČR(CZ) GAP103/12/2431 Institutional support: RVO:67985556 Keywords : partial differential equations * state-dependent delay * invariance principle Subject RIV: BC - Control Systems Theory http://library.utia.cas.cz/separaty/2012/AS/rezunenko- local properties of solutions to non-autonomous parabolic PDEs with state-dependent delay s.pdf

  2. Relationship between atomically related core levels and ground state properties of solids: first-principles calculations

    Czech Academy of Sciences Publication Activity Database

    Vackář, Jiří; Šipr, Ondřej; Šimůnek, Antonín

    2008-01-01

    Roč. 77, č. 4 (2008), 045112/1-045112/6 ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100514; GA AV ČR(CZ) IAA100100637 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : core levels * ab-initio calculations * electronic states * ground state properties Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

  3. Theoretical study of the density of states and magnetic properties of LaCoO3

    Science.gov (United States)

    Zhuang, Min; Zhang, Weiyi; Hu, Cheng; Ming, Naiben

    1998-05-01

    The density of states and magnetic properties of low-spin, high-spin, and mixing states of LaCoO3 have been studied within the unrestricted Hartree-Fock approximation. The real-space recursion method is adopted for computing the electronic structure of the disordered system. The paramagnetic high-spin state is dealt with using the usual binary alloy coherent potential approximation (CPA); an extended trinary alloy CPA approximation is developed to describe the mixing state. In agreement with experiments, our results show that the main features of the quasiparticle spectra in the mixing state are not a sensitive function of the high-spin component, but the spectrum does get broadened due to spin scattering. The increasing of the high-spin component also results in a pileup of the density of states at the Fermi energy which indicates an insulator to metal phase transition. Some limitations of the present approach are also discussed.

  4. Observations of Co-variation in Cloud Properties and their Relationships with Atmospheric State

    Science.gov (United States)

    Sinclair, K.; van Diedenhoven, B.; Fridlind, A. M.; Arnold, T. G.; Yorks, J. E.; Heymsfield, G. M.; McFarquhar, G. M.; Um, J.

    2017-12-01

    Radiative properties of upper tropospheric ice clouds are generally not well represented in global and cloud models. Cloud top height, cloud thermodynamic phase, cloud optical thickness, cloud water path, particle size and ice crystal shape all serve as observational targets for models to constrain cloud properties. Trends or biases in these cloud properties could have profound effects on the climate since they affect cloud radiative properties. Better understanding of co-variation between these cloud properties and linkages with atmospheric state variables can lead to better representation of clouds in models by reducing biases in their micro- and macro-physical properties as well as their radiative properties. This will also enhance our general understanding of cloud processes. In this analysis we look at remote sensing, in situ and reanalysis data from the MODIS Airborne Simulator (MAS), Cloud Physics Lidar (CPL), Cloud Radar System (CRS), GEOS-5 reanalysis data and GOES imagery obtained during the Tropical Composition, Cloud and Climate Coupling (TC4) airborne campaign. The MAS, CPL and CRS were mounted on the ER-2 high-altitude aircraft during this campaign. In situ observations of ice size and shape were made aboard the DC8 and WB57 aircrafts. We explore how thermodynamic phase, ice effective radius, particle shape and radar reflectivity vary with altitude and also investigate how these observed cloud properties vary with cloud type, cloud top temperature, relative humidity and wind profiles. Observed systematic relationships are supported by physical interpretations of cloud processes and any unexpected differences are examined.

  5. Ground state properties of exotic nuclei in deformed medium mass region

    International Nuclear Information System (INIS)

    Manju; Chatterjee, R.; Singh, Jagjit; Shubhchintak

    2017-01-01

    The dipole moment, size of the nucleus and other ground state properties of deformed nuclei 37 Mg and 31 Ne are presented. Furthermore with this deformed wave function the electric dipole strength distribution for deformed nuclei 37 Mg and 31 Ne is calculated. This will allow us to investigate the two dimensional scaling phenomenon with two parameters: quadrupole deformation and separation energy

  6. Teaching the Properties of Chromium's Oxidation States with a Case Study Method

    Science.gov (United States)

    Ozdilek, Zehra

    2015-01-01

    The purpose of this study was to investigate how a mixed-method case study affects pre-service science teachers' awareness of hexavalent chromium pollution and content knowledge about the properties of chromium's different oxidation states. The study was conducted in Turkey with 55 sophomores during the fall semester of 2013-2014. The students…

  7. Financing Schools and Property Tax Relief -- A State Responsibility. The Report in Brief.

    Science.gov (United States)

    Advisory Commission on Intergovernmental Relations, Washington, DC.

    This report is the first response to President Nixon's request to the Commission for an evaluation of the proposed replacement of school property taxes by a Federal value added tax. The report findings reveal that a federal program to bring tax relief is neither necessary nor desirable, and the Commission suggests that the States assume a greater…

  8. Quantum properties of counterpropagating two-photon states generated in a planar waveguide

    Czech Academy of Sciences Publication Activity Database

    Peřina ml., Jan

    2008-01-01

    Roč. 77, č. 1 (2008), 013803/1-013803/14 ISSN 1050-2947 R&D Projects: GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : quantum properties * two-photon states Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.908, year: 2008

  9. Stability properties of a heat equation with state-dependent parameters and asymmetric boundary conditions

    DEFF Research Database (Denmark)

    Backi, Christoph Josef; Bendtsen, Jan Dimon; Leth, John

    2015-01-01

    In this work the stability properties of a partial differential equation (PDE) with state-dependent parameters and asymmetric boundary conditions are investigated. The PDE describes the temperature distribution inside foodstuff, but can also hold for other applications and phenomena. We show...

  10. Ground state structures and properties of Si3Hn (n= 1–6) clusters

    Indian Academy of Sciences (India)

    The ground state structures and properties of Si3H (1 ≤ ≤ 6) clusters have been calculated using Car–Parrinello molecular dynamics with simulated annealing and steepest descent optimization methods. We have studied cohesive energy per particle and first excited electronic level gap of the clusters as a function of ...

  11. Psychometric Properties of the Penn State Worry Questionnaire for Children in a Large Clinical Sample

    Science.gov (United States)

    Pestle, Sarah L.; Chorpita, Bruce F.; Schiffman, Jason

    2008-01-01

    The Penn State Worry Questionnaire for Children (PSWQ-C; Chorpita, Tracey, Brown, Collica, & Barlow, 1997) is a 14-item self-report measure of worry in children and adolescents. Although the PSWQ-C has demonstrated favorable psychometric properties in small clinical and large community samples, this study represents the first psychometric…

  12. 26 CFR 301.7505-1 - Sale of personal property acquired by the United States.

    Science.gov (United States)

    2010-04-01

    ... by the United States in payment of or as security for debts arising under the internal revenue laws... substantially higher price may be obtained, the sale may be held outside his district. (ii) Rejection of bids... any and all bids and withdraw the property from the sale. When it appears to the internal revenue...

  13. Estimating saturated hydraulic conductivity and air permeability from soil physical properties using state-space analysis

    DEFF Research Database (Denmark)

    Poulsen, Tjalfe; Møldrup, Per; Nielsen, Don

    2003-01-01

    and gaseous chemicals in the vadose zone. In this study, three modeling approaches were used to identify the dependence of saturated hydraulic conductivity (K-S) and air permeability at -100 cm H2O soil-water potential (k(a100)) on soil physical properties in undisturbed soil: (i) Multiple regression, (ii......) ARIMA (autoregressive integrated moving average) modeling, and (iii) State-space modeling. In addition to actual soil property values, ARIMA and state-space models account for effects of spatial correlation in soil properties. Measured data along two 70-m-long transects at a 20-year old constructed......Estimates of soil hydraulic conductivity (K) and air permeability (k(a)) at given soil-water potentials are often used as reference points in constitutive models for K and k(a) as functions of moisture content and are, therefore, a prerequisite for predicting migration of water, air, and dissolved...

  14. Industrial property for science’s management, technology and innovation in Cuban State companies

    Directory of Open Access Journals (Sweden)

    Dulce María Contreras Villavicencio

    2017-08-01

    Full Text Available The paper synthesizes some research on industrial property aspects from the socio-legal perspective and financial accounting. Its focus to the socialist state enterprise adaptation in his economic fact, social and environmental responsibility as a fundamental Cuban model reach, competitiveness and high performance in socialist state enterprise. It outlines criteria on the ordering and implementation of industrial property through the management of science and technology, protection and dissemination of knowledge results as alternatives of regulation in chain of value to full cycle of innovation, dynamics of intangible heritage and relationships, exchange with marketing as business philosophy of business application. Strategies are proposed regarding the rights of this institution in the economic-organization management state.

  15. Thermal properties of UO2 from density functional theory: role of strong correlations

    International Nuclear Information System (INIS)

    Panigrahi, Puspamitra; Kaur Gurpreet; Valsakumar, M.C.

    2011-01-01

    We report a study of ground state magnetic structure of Uranium-dioxide (UO 2 ) using ab initio calculations employing PAW pseudopotentials and Dudarev's version of GGA+U formalism as implemented in VASP to take into account the strong on-site Coulomb correlation among the localized Uranium-5f electrons. By choosing the value of the Hubbard parameter U eff to be 4.0 eV, we have confirmed the experimental observation that the ground state of UO 2 is an insulator with an anti-ferromagnetic (AFM) ordering. We study systematically the ground state structural, electronic, and magnetic properties of UO 2 and focus on the structure sensitive thermal properties such as specific heat, thermal expansion and comment on the calculation of thermal conductivity. (author)

  16. Modeling of dielectric properties of complex fluids with an equation of state

    DEFF Research Database (Denmark)

    Maribo-Mogensen, Bjørn; Kontogeorgis, Georgios M.; Thomsen, Kaj

    2013-01-01

    permittivity) can be modeled simultaneously with thermodynamic properties. The static permittivity is calculated from an extension of the framework developed by Onsager, Kirkwood, and Fröhlich to associating mixtures. The thermodynamic properties are calculated from the cubic-plus-association (CPA) equation...... of state that includes the Wertheim association model as formulated in the statistical associating fluid theory (SAFT) to account for hydrogen bonding molecules. We show that, by using a simple description of the geometry of the association, we may calculate the Kirkwood g-factor as a function...

  17. Superconducting and normal state properties of carbon doped and neutron irradiated MgB2

    International Nuclear Information System (INIS)

    Wilke, R.H.T.; Samuely, P.; Szabo, P.; Holanova, Z.; Bud'ko, S.L.; Canfield, P.C.; Finnemore, D.K.

    2007-01-01

    Current research in MgB 2 focuses on the effects various types of perturbations have on the superconducting properties of this novel two-gap superconductor. In this article we summarize the effects of carbon doping and neutron irradiation in bulk MgB 2 . Low levels of carbon doping and light neutron irradiation result in significant enhancements in H c2 . At high fluences, where superconductivity is nearly fully suppressed, superconductivity can be restored through post exposure annealing. However, this results in a change in the interdependencies of the normal state and superconducting properties (ρ 0 , T c , H c2 ), with little or no enhancement in H c2

  18. Adsorption properties versus oxidation states of rutile TiO2(110)

    DEFF Research Database (Denmark)

    Martinez, Umberto; Hammer, Bjørk

    2011-01-01

    Using density functional theory we have studied the adsorption properties of different atoms and molecules deposited on a stoichiometric, reduced, and oxidized rutile TiO2(110) surface. Depending on the oxidation state of the surface, electrons can flow from or to the substrate and, therefore...... of the charge flow depends on the oxidation state of the rutile surface and on the adsorption site. Generally, the charging effect leads to more stable complexes. However, the increase in the binding energy of the adsorbates is highly dependent on the electronic states of the surface prior to the adsorption...... event. In this work we have analyzed in details these mechanisms and we have also established a direct correlation between the enhanced binding energy of the adsorbates and the induced gap states...

  19. Analysis of physical properties controlling steady-state infiltration rates on tropical savannah soils

    International Nuclear Information System (INIS)

    Mbagwu, J.S.C.

    1993-10-01

    A knowledge of physical properties influencing the steady-state infiltration rates (ic) of soils is needed for the hydrologic modelling of the infiltration process. In this study evidence is provided to show that effective porosity (Pe) (i.e. the proportion of macro pore spaces with equivalent radius of > 15 μm) and dry bulk density are the most important soil physical properties controlling the steady-state infiltration rates on a tropical savannah with varying land use histories. At a macro porosity value of ≤ 5.0% the steady-state infiltration rate is zero. Total porosity and the proportion of water-retaining pores explained only a small fraction of the variation in this property. Steady-state infiltration rates can also be estimated from either the saturated hydraulic conductivity (Ks) by the equation, i c = 31.1 + 1.06 (Ks), (R 2 = 0.8104, p ≤ 0.001) or the soil water transmissivity (A) by the equation, i c = 30.0 + 29.9(A), (R 2 = 0.8228, ρ ≤ 0.001). The Philip two-parameter model under predicted steady-state infiltration rates generally. Considering the ease of determination and reliability it is suggested that effective porosity be used to estimate the steady-state infiltration rates of these other soils with similar characteristics. The model is, i c 388.7(Pe) - 10.8(R 2 = 0.7265, p ≤ 0.001) where i c is in (cm/hr) and Pe in (cm 3 /cm 3 ). (author). 20 refs, 3 figs, 4 tabs

  20. Shielding property for thermal equilibrium states in the quantum Ising model

    Science.gov (United States)

    Móller, N. S.; de Paula, A. L.; Drumond, R. C.

    2018-03-01

    We show that Gibbs states of nonhomogeneous transverse Ising chains satisfy a shielding property. Namely, whatever the fields on each spin and exchange couplings between neighboring spins are, if the field in one particular site is null, then the reduced states of the subchains to the right and to the left of this site are exactly the Gibbs states of each subchain alone. Therefore, even if there is a strong exchange coupling between the extremal sites of each subchain, the Gibbs states of the each subchain behave as if there is no interaction between them. In general, if a lattice can be divided into two disconnected regions separated by an interface of sites with zero applied field, then we can guarantee a similar result only if the surface contains a single site. Already for an interface with two sites we show an example where the property does not hold. When it holds, however, we show that if a perturbation of the Hamiltonian parameters is done in one side of the lattice, then the other side is completely unchanged, with regard to both its equilibrium state and dynamics.

  1. Thermodynamic properties and equation of state of zircon ZrSiO4

    International Nuclear Information System (INIS)

    Mittal, R.; Chaplot, S.L.; Choudhury, N.

    1998-01-01

    The silicate mineral zircon is a host material for radioactive materials in the earth's crust and is a natural candidate for usage as a nuclear waste storage material. Lattice dynamical calculations have been carried out to understand its thermodynamic properties and high pressure behavior. The calculated phonon density of states, variation of phonon frequencies with pressure and equation of state are in good agreement with the available experimental data. One of the zone center optic mode involving SiO 4 rotations becomes soft at 47 GPa

  2. Theoretical radiative properties between states of the triplet manifold of NH radical

    International Nuclear Information System (INIS)

    Owono Owono, L.C.; Jaidane, N.; Ben Lakhdar, Z.

    2007-12-01

    Ab initio transition dipole moments between states of the triplet manifold of NH radical are presented. This enables the computation of various radiative characteristics such as Einstein coefficients, radiative lifetimes and oscillator strengths. These properties concern valence and Rydberg states as well for which spectroscopic parameters are rather scarce and sometimes inexistent. Our results show good agreement with available experimental data in comparison to other theoretical numbers reported in the literature. This helps to build confidence on the quantities for which data were not found for comparative purposes. It is expected that the present study may enhance further astrophysical and laboratory investigations. (author)

  3. Membrane potential and response properties of populations of cortical neurons in the high conductance state

    International Nuclear Information System (INIS)

    Moreno-Bote, Ruben; Parga, Nestor

    2005-01-01

    Because of intense synaptic activity, cortical neurons are in a high conductance state. We show that this state has important consequences on the properties of a population of independent model neurons with conductance-based synapses. Using an adiabaticlike approximation we study both the membrane potential and the firing probability distributions across the population. We find that the latter is bimodal in such a way that at any particular moment some neurons are inactive while others are active. The population rate and the response variability are also characterized

  4. T-4 handbook of material properties data bases. Volume 1c. Equations of state

    International Nuclear Information System (INIS)

    Holian, K.S.

    1984-11-01

    This manual is a compilation of descriptions of the equations of state (EOS) in the T-4 computerized library of material properties tables. The introduction gives a brief descriptions of the library and of the physics theories and models which were used to calculate the equations of state. Then each EOS is described in detail. First, various physical parameters of each theoretical EOS are tabulated and compared with experiments when available. Then the method of generating the EOS is briefly described. Finally, the tabels are plotted in terms of pressure and energy vs density along line of constant temperature

  5. Concentration state dependence of the rheological and structural properties of reconstituted silk.

    Science.gov (United States)

    Mo, Chunli; Holland, Chris; Porter, David; Shao, Zhengzhong; Vollrath, Fritz

    2009-10-12

    The ability to control the processing of artificial silk is key to the successful application of this important and high performance biopolymer. Understanding where our current reconstitution process can be improved will not only aid us in the creation of better materials, but will also provide insight into the natural material along the way. This study aims to understand what proportion of reconstituted silk contributes to its rheological properties and what conformational state the silk proteins are in. It shows, for the first time, that a change in rheological properties can be related to a change in silk structures present in solution and reveals a low concentration gel state for silk that may have important implications for future successful artificial processing of silk.

  6. Superconducting properties of the η-pairing state in the Penson-Kolb-Hubbard model

    International Nuclear Information System (INIS)

    Czart, W.R.; Robaszkiewicz, S.

    2004-01-01

    The Penson-Kolb-Hubbard model, i.e. the Hubbard model with the pair-hopping interaction J is studied. We focus on the properties of the superconducting state with the Cooper-pair center-of mass momentum q Q(η-phase). The transition into the η-phase, which is favorized by the repulsive J (J c |, dependent on band filling, on-site interaction U and band structure, and the system never exhibits standard BCS-like features. This is in obvious contrast with the properties of the isotropic s-wave state, stabilized by the attractive J and attractive U, which exhibit at T = 0 a smooth crossover from the BCS-like limit to that of tightly bound pairs with increasing pairing strength. (author)

  7. A comparative icMRCI study of some NO+, NO and NO- electronic ground state properties

    International Nuclear Information System (INIS)

    Polak, R.; Fiser, J.

    2004-01-01

    Potential energy, electric field gradient (EFG) at both nuclei, and electric dipole moment functions for the electronic ground states of NO + , NO and NO - were calculated at the internally contracted multireference configuration interaction (icMRCI) level using augmented correlation-consistent basis sets. The changes in the EFG's with internuclear separation R were used to interpret the character of bonding in the triad of NO species. The vibrational dependences of the electric properties were estimated and the EFG's were employed to determine the 14 N nuclear quadrupole coupling constants. The effects of the choice of the basis set and reference configuration space were investigated. While the results obtained for NO + and NO served primarily to assess the quality of calculations by comparison with available experimental and theoretical data, new information was obtained on NO - , including electric property functions and some notions about the existence of metastable states

  8. Proceedings of the workshop on 'anomalous electronic states and physical properties in high-temperature superconductors'

    International Nuclear Information System (INIS)

    Arai, Masatoshi; Kajimoto, Ryoichi

    2007-03-01

    A workshop entitled 'Anomalous Electronic States and Physical Properties in High-Temperature Superconductors' was held on November 7-8, 2006 at Institute for Materials Research, Tohoku University. In the workshop, leading scientists in the field of high-T c superconductivity, both experimentalists and theorists, gathered in a hall to report the recent progress of the study, clarify the problems to be solved, and discuss the future prospects. The workshop was jointly organized by Specially Promoted Research of MEXT, Development of the 4D Spaces Access Neutron Spectrometer and Elucidation of the Mechanism of Oxide High-T c Superconductivity' (repr. by M. Arai, JAEA) and by the Inter-university Cooperative Research Program of the Institute for Materials Research, Tohoku University, 'Anomalous Electronic States and Physical Properties in High-Temperature Superconductors' (repr. by T. Tohyama, Kyoto Univ.). This report includes abstracts and materials of the presentations in the workshop. (author)

  9. Psychometric properties of startle and corrugator response in NPU, affective picture viewing, and resting state tasks.

    Science.gov (United States)

    Kaye, Jesse T; Bradford, Daniel E; Curtin, John J

    2016-08-01

    The current study provides a comprehensive evaluation of critical psychometric properties of commonly used psychophysiology laboratory tasks/measures within the NIMH RDoC. Participants (N = 128) completed the no-shock, predictable shock, unpredictable shock (NPU) task, affective picture viewing task, and resting state task at two study visits separated by 1 week. We examined potentiation/modulation scores in NPU (predictable or unpredictable shock vs. no-shock) and affective picture viewing tasks (pleasant or unpleasant vs. neutral pictures) for startle and corrugator responses with two commonly used quantification methods. We quantified startle potentiation/modulation scores with raw and standardized responses. We quantified corrugator potentiation/modulation in the time and frequency domains. We quantified general startle reactivity in the resting state task as the mean raw startle response during the task. For these three tasks, two measures, and two quantification methods, we evaluated effect size robustness and stability, internal consistency (i.e., split-half reliability), and 1-week temporal stability. The psychometric properties of startle potentiation in the NPU task were good, but concerns were noted for corrugator potentiation in this task. Some concerns also were noted for the psychometric properties of both startle and corrugator modulation in the affective picture viewing task, in particular, for pleasant picture modulation. Psychometric properties of general startle reactivity in the resting state task were good. Some salient differences in the psychometric properties of the NPU and affective picture viewing tasks were observed within and across quantification methods. © 2016 The Authors. Psychophysiology published by Wiley Periodicals, Inc. on behalf of Society for Psychophysiological Research.

  10. 26 CFR 1.897-1 - Taxation of foreign investment in United States real property interests, definition of terms.

    Science.gov (United States)

    2010-04-01

    ... 26 Internal Revenue 9 2010-04-01 2010-04-01 false Taxation of foreign investment in United States... Provisions § 1.897-1 Taxation of foreign investment in United States real property interests, definition of... respect to the taxation of foreign investments in U.S. real property interests and related matters. This...

  11. 36 CFR 1280.2 - What property is under the control of the Archivist of the United States?

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false What property is under the control of the Archivist of the United States? 1280.2 Section 1280.2 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION NARA FACILITIES USE OF NARA FACILITIES What Are the General...

  12. Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computation

    Science.gov (United States)

    Sajid, A.; Reimers, Jeffrey R.; Ford, Michael J.

    2018-02-01

    Key properties of nine possible defect sites in hexagonal boron nitride (h-BN), VN,VN -1,CN,VNO2 B,VNNB,VNCB,VBCN,VBCNS iN , and VNCBS iB , are predicted using density-functional theory and are corrected by applying results from high-level ab initio calculations. Observed h-BN electron-paramagnetic resonance signals at 22.4, 20.83, and 352.70 MHz are assigned to VN,CN, and VNO2 B , respectively, while the observed photoemission at 1.95 eV is assigned to VNCB . Detailed consideration of the available excited states, allowed spin-orbit couplings, zero-field splitting, and optical transitions is made for the two related defects VNCB and VBCN . VNCB is proposed for realizing long-lived quantum memory in h-BN. VBCN is predicted to have a triplet ground state, implying that spin initialization by optical means is feasible and suitable optical excitations are identified, making this defect of interest for possible quantum-qubit operations.

  13. Property Accounting. A Handbook of Standard Terminology and a Guide for Classifying Information about Education Property. State Educational Records and Reports Series: Handbook III, Revised 1977.

    Science.gov (United States)

    Seibert, Ivan N.

    This handbook is offered as a resource for local, intermediate, state, and federal education officials to assist in the identification, organization, and definition of data and information about education property. An introduction and directions are followed by a discussion of concepts associated with property accounting and some general…

  14. Unified description of astrophysical properties of neutron stars independent of the equation of state

    Science.gov (United States)

    Pappas, George

    2015-12-01

    In recent years, a lot of work was done that has revealed some very interesting properties of neutron stars. One can relate the first few multipole moments of a neutron star, or quantities that can be derived from them, with relations that are independent of the equation of state (EoS). This is a very significant result that has great implications for the description of neutron stars and in particular for the description of the spacetime around them. Additionally, it was recently shown that there is a four-parameter analytic spacetime, known as the two-soliton spacetime, which can accurately capture the properties of the geometry around neutron stars. This allows for the possibility of describing in a unified formalism the astrophysically relevant properties of the spacetime around a neutron star independently of the particulars of the EoS for the matter of the star. More precisely, the description of these astrophysical properties is done using an EoS omniscient spacetime that can describe the exterior of any neutron star. In the present work, we investigate properties such as the location of the innermost stable circular orbit RISCO (or the surface of the star when the latter overcomes the former), the various frequencies of perturbed circular equatorial geodesics, the efficiency of an accretion disc, its temperature distribution, and other properties associated with the emitted radiation from the disc, in a way that holds for all possible choices of a realistic EoS for the neutron star. Furthermore, we provide proof of principle that if one were to measure the right combinations of pairs of these properties, with the additional knowledge of the mass of the neutron star, one could determine the EoS of the star.

  15. Scattering Properties of Ground-State 23Na Vapor Using Generalized Scattering Theory

    Science.gov (United States)

    Al-Harazneh, A. A.; Sandouqa, A. S.; Joudeh, B. R.; Ghassib, H. B.

    2018-04-01

    The scattering properties of ground-state 23Na vapor are investigated within the framework of the Galitskii-Migdal-Feynman formalism. Viewed as a generalized scattering theory, this formalism is used to calculate the medium phase shifts. The scattering properties of the system—the total, viscosity, spin-exchange, and average cross sections—are then computed using these phase shifts according to standard recipes. The total cross section is found to exhibit the Ramsauer-Townsend effect as well as resonance peaks. These peaks are caused by the large difference between the potentials for electronic spin-singlet and spin-triplet states. They represent quasi-bound states in the system. The results obtained for the complex spin-exchange cross sections are particularly highlighted because of their importance in the spectroscopy of the Na2 dimer. So are the results for the scattering lengths pertaining to both singlet and triplet states. Wherever possible, comparison is made with other published results.

  16. Constraining nuclear photon strength functions by the decay properties of photo-excited states

    Science.gov (United States)

    Isaak, J.; Savran, D.; Krtička, M.; Ahmed, M. W.; Beller, J.; Fiori, E.; Glorius, J.; Kelley, J. H.; Löher, B.; Pietralla, N.; Romig, C.; Rusev, G.; Scheck, M.; Schnorrenberger, L.; Silva, J.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Zweidinger, M.

    2013-12-01

    A new approach for constraining the low-energy part of the electric dipole Photon Strength Function (E1-PSF) is presented. Experiments at the Darmstadt High-Intensity Photon Setup and the High Intensity γ→-Ray Source have been performed to investigate the decay properties of 130Te between 5.50 and 8.15 MeV excitation energy. In particular, the average γ-ray branching ratio to the ground state and the population intensity of low-lying excited states have been studied. A comparison to the statistical model shows that the latter is sensitive to the low-energy behavior of the E1-PSF, while the average ground state branching ratio cannot be described by the statistical model in the energy range between 5.5 and 6.5 MeV.

  17. Dependence of isobar-analog state properties on variable part of Coulomb potential

    International Nuclear Information System (INIS)

    Dzhafarov, I.G.; Kuliev, A.A.; Salamov, D.I.

    1986-01-01

    Within the framework of the self-consistent approach and with the method of strength functions the fragmentation of isobar-analog state (IAS) properties for all isobarie 0 + -states is investigated. Microscopic values of IAS energy, matrix elements of allowed and forbidden Fermi transitions as well as isospin impurity values in ground states of parent nuclei are obtained. Numerical calculations carried out for 42 Ca 42 Sc, 48 Ca 48 Sc, 64 Zn 64 Ga, 66 Zn 66 Ga, 90 Zr 90 Nb, 208 Pb 208 Bi isobaric nuclei with Woods-Saxon potential, are compared with predictions of different approches and experiment. The developed model by the authors permits to describe sufficiently well the experimental data

  18. Study of polonium isotopes ground state properties by simultaneous atomic- and nuclear-spectroscopy

    CERN Multimedia

    Koester, U H; Kalaninova, Z; Imai, N

    2007-01-01

    We propose to systematically study the ground state properties of neutron deficient $^{192-200}$Po isotopes by means of in-source laser spectroscopy using the ISOLDE laser ion source coupled with nuclear spectroscopy at the detection setup as successfully done before by this collaboration with neutron deficient lead isotopes. The study of the change in mean square charge radii along the polonium isotope chain will give an insight into shape coexistence above the mid-shell N = 104 and above the closed shell Z = 82. The hyperfine structure of the odd isotopes will also allow determination of the nuclear spin and the magnetic moment of the ground state and of any identifiable isomer state. For this study, a standard UC$_{x}$ target with the ISOLDE RILIS is required for 38 shifts.

  19. Interaction between the magnetic moments of the 3d and the 4f electrons in manganite, probed by Ga substitution

    International Nuclear Information System (INIS)

    Ling Langsheng; Zhang Lei; Tong Wei; Qu Zhe; Pi Li; Zhang Yuheng

    2012-01-01

    The substitution of Ga for Mn in manganite Nd 0.6 Dy 0.1 Sr 0.3 MnO 3 with a ferromagnetic (FM) ground state has been performed to study the influence of the Mn-sublattice magnetic ordering on the magnetic rare-earth sublattice. It is found that the substitution of Mn 3+ with Ga 3+ ions results in a sharp decrease of T C , reflecting the reduction of the double-exchange interactions strength J Mn–Mn . At the same time, a depinning effect of the rare-earth magnetic moment has been observed. This behavior unambiguously proves that the exchange interaction between Mn and rare-earth ions J Mn–R strongly influences the rare-earth magnetic ordering at temperatures below T C and stabilizes the rare-earth magnetic ground state.

  20. Ketamine changes the local resting-state functional properties of anesthetized-monkey brain.

    Science.gov (United States)

    Rao, Jia-Sheng; Liu, Zuxiang; Zhao, Can; Wei, Rui-Han; Zhao, Wen; Tian, Peng-Yu; Zhou, Xia; Yang, Zhao-Yang; Li, Xiao-Guang

    2017-11-01

    Ketamine is a well-known anesthetic. 'Recreational' use of ketamine common induces psychosis-like symptoms and cognitive impairments. The acute and chronic effects of ketamine on relevant brain circuits have been studied, but the effects of single-dose ketamine administration on the local resting-state functional properties of the brain remain unknown. In this study, we aimed to assess the effects of single-dose ketamine administration on the brain local intrinsic properties. We used resting-state functional magnetic resonance imaging (rs-fMRI) to explore the ketamine-induced alterations of brain intrinsic properties. Seven adult rhesus monkeys were imaged with rs-fMRI to examine the fractional amplitude of low-frequency fluctuation (fALFF) and regional homogeneity (ReHo) in the brain before and after ketamine injection. Paired comparisons were used to detect the significantly altered regions. Results showed that the fALFF of the prefrontal cortex (p=0.046), caudate nucleus (left side, p=0.018; right side, p=0.025), and putamen (p=0.020) in post-injection stage significantly increased compared with those in pre-injection period. The ReHo of nucleus accumbens (p=0.049), caudate nucleus (p=0.037), and hippocampus (p=0.025) increased after ketamine injection, but that of prefrontal cortex decreased (pketamine administration can change the regional intensity and synchronism of brain activity, thereby providing evidence of ketamine-induced abnormal resting-state functional properties in primates. This evidence may help further elucidate the effects of ketamine on the cerebral resting status. Copyright © 2017. Published by Elsevier Inc.

  1. Decay properties of the key resonant states in 8Li(α,n)11B for primordial nucleosynthesis

    International Nuclear Information System (INIS)

    Kubono, S.; Ikeda, N.; Tanaka, M.H.; Nomura, T.; Katayama, I.; Fuchi, Y.; Kawashima, H.; Kajino, T.

    1991-01-01

    The particle decay property of the key resonant states in the reaction 8 Li(α, n) 11 B for the inhomogeneous big bang models was studied experimentally. The sum of the branching ratios of the 10.572 MeV state for the neutron decays to the excited states in 11 B is as large as for the ground state, indicating that the neutron decays to excited states are crucial and enhance the reaction rate for heavy element synthesis considerably. (orig.)

  2. Structural phase transition and elastic properties of samarium monopnictides

    International Nuclear Information System (INIS)

    Pagare, Gitanjali; Chouhan, Sunil Singh; Soni, Pooja; Sanyal, Sankar P.

    2011-01-01

    In recent years the monopnictides and monochalcogenides of the rare-earth elements with rocksalt structure (B 1 ) have aroused intensive interest due to the presence of strongly correlated f electrons in them. Under pressure, the nature of f-electrons of these compounds can be changed from localized to itinerant leading to significant changes in physical and chemical properties. These unusual structural, electronic, and high-pressure properties make them candidates for advanced industrial applications. For these applications they provide unique physical properties which cannot be achieved with other materials

  3. Impact of calcification state on the inherent optical properties of Emiliania huxleyi coccoliths and coccolithophores

    International Nuclear Information System (INIS)

    Bi, Lei; Yang, Ping

    2015-01-01

    Understanding the inherent optical properties (IOPs) of coccoliths and coccolithophores is important in oceanic radiative transfer simulations and remote sensing implementations. In this study, the invariant imbedding T-matrix method (II-TM) is employed to investigate the IOPs of coccoliths and coccolithophores. The Emiliania huxleyi (Ehux) coccolith and coccolithophore models are built based on observed biometric parameters including the eccentricity, the number of slits, and the rim width of detached coccoliths. The calcification state that specifies the amount of calcium of a single coccolith is critical in the determination of the size–volume/mass relationship (note, the volume/mass of coccoltihs at different calcification states are different although the diameters are the same). The present results show that the calcification state, namely, under-calcification, normal-calcification, or over-calcification, significantly influences the backscattering cross section and the phase matrix. Furthermore, the linear depolarization ratio of the light scattered by coccoliths is sensitive to the degree of calcification, and provides a potentially valuable parameter for interpreting oceanic remote sensing data. The phase function of an ensemble of randomly oriented coccolithophores has a similar pattern to that of individual coccoliths, but the forward scattering is dominant in the coccolithophores due to the large geometric cross sections. The linear depolarization ratio associated with coccolithophores is found to be larger than that for coccoliths as polarization is more sensitive to multiple scattering than the phase function. The simulated coccolithophore phase matrix numerical results are compared with laboratory measurements. For scattering angles larger than 100°, an increase of the phase function with respect to the scattering angle is confirmed based on the present coccolithophore model while the spherical approximation fails. - Highlights: • Realistic

  4. Study of 5f electron based filled skutterudite compound EuFe{sub 4}Sb{sub 12}, a thermoelectric (TE) material: FP-LAPW method

    Energy Technology Data Exchange (ETDEWEB)

    Shankar, A., E-mail: amitshan2009@gmail.com [Department of Physics, Mizoram University, Aizawl 796004 (India); Rai, D.P., E-mail: dibyaprakashrai@gmail.com [Beijing Computational Science Research Center, 3 Heqing Road, Beijing 100084 (China); Khenata, R. [Laboratoire de Physique Quantique et de Modlisation Mathmatique (LPQ3M), Dpartement de Technologie, Universit de Mascara, 29000 Mascara (Algeria); Maibam, J. [Department of Physics, Assam University, Silchar 788011 (India); Sandeep, E-mail: sndp.chettri@gmail.com [Department of Physics, Mizoram University, Aizawl 796004 (India); Thapa, R.K., E-mail: r.k.thapa@gmail.com [Department of Physics, Mizoram University, Aizawl 796004 (India)

    2015-01-15

    Highlights: • The compound EuFe{sub 4}Sb{sub 12} shows a semi-metallic behavior with pseudo gap. • The inherent dense band near E{sub F} facilitate the charge carriers. • The magnetic moment within LSDA and mBJ are underestimated. • The inclusion of onsite Coulomb repulsion (U) in LSDA has improved the result. • The results obtained from LSDA + U are consistent with the experimental data. - Abstract: We have studied the elastic, electronic and magnetic properties along with the thermoelectric properties of an undoped filled skutterudite EuFe{sub 4}Sb{sub 12} using full-potential linearized augmented plane wave (FP-LAPW) method. The LSDA, LSDA + U and a new exchange-correlation functional called modified Becke Johnson (mBJ) potential based on density functional theory (DFT) were used for studying material properties. The Eu-f and Fe-d are strongly correlated elements thus the inclusion of Coulomb repulsion (U) expected to give an exact ground state properties. The exchange-splitting of Eu-4f states were analyzed to explain the ferromagnetic behavior of EuFe{sub 4}Sb{sub 12} (half-metallic behavior). The numerical values of isotropic elastic parameters and related properties are estimated in the framework of the Voigt–Reuss–Hill approximation. The calculation of thermal transport properties at various temperature shows the high value of Seebeck coefficient and figure of merit (ZT) = 0.25 at room temperature in consistent to the experimental results.

  5. The influence of the anisotropic stress state on the intermediate strain properties of granular material

    KAUST Repository

    Goudarzy, M.

    2017-07-20

    This paper shows the effect of anisotropic stress state on intermediate strain properties of cylindrical samples containing spherical glass particles. Tests were carried out with the modified resonant column device available at Ruhr-Universität Bochum. Dry samples were subjected to two anisotropic stress states: (a) cell pressure, σ′h, constant and vertical stress, σ′v, increased (stress state GB-I) and (b) σ′v/σ′h equal to 2 (stress state GB-II). The experimental results revealed that the effect of stress state GB-II on the modulus and damping ratio was more significant and obvious than stress state GB-I. The effect of the anisotropic stress state was explained through the impact of confining pressure and anisotropic stress components on the stiffness and damping ratio. The results showed that: (a) G(γ) increased, η(γ) decreased and their strain non-linearity decreased with an increase in the confining pressure component σ′vσ′h; (b) G(γ) decreased, η(γ) increased and their strain non-linearity increased with an increase in the anisotropic stress component, σ′v/σ′h. The analysis of results revealed that reference shear strain was also affected by anisotropic stress state. Therefore, an empirical relationship was developed to predict the reference shear strain, as a function of confining pressure and anisotropic stress components. Additionally, the damping ratio was written as a function of the minimum damping ratio and the reference shear strain.

  6. Thermodynamic properties and equation of state of liquid lead and lead bismuth eutectic

    Science.gov (United States)

    Sobolev, V. P.; Schuurmans, P.; Benamati, G.

    2008-06-01

    Since the 1950s, liquid lead (Pb) and lead-bismuth eutectic (Pb-Bi) have been studied in the USA, Canada and in the former-USSR as potential coolants for nuclear installations due to their very attractive thermophysical and neutronic properties. However, experimental data on the thermal properties of these coolants in the temperature range of interest are still incomplete and often contradictory. This makes it very difficult to perform design calculations and to analyse the normal and abnormal behaviour of nuclear installations where these coolants are expected to be used. Recently, a compilation of heavy liquid metal (HLM) properties along with recommendations for its use was prepared by the OECD/NEA Working Party on Fuel Cycle (WPFC) Expert Group on Lead-Bismuth Eutectic Technology. A brief review of this compilation and some new data are presented in this article. A set of correlations for the temperature dependence of the main thermodynamic properties of Pb and Pb-Bi(e) at normal pressure, and a set of simplified thermal and caloric equations of state for the liquid phase are proposed.

  7. Correlation between the state of cure of thermosetting resins and their properties

    International Nuclear Information System (INIS)

    Haffane, N.; Benameur, T.; Granger, R.; Vergnaud, J.M.

    1996-01-01

    Thermosetting resins, in the same way as polymers, are more and more used for coating metal sheets, in order to bring various interesting properties. An important problem arises with the cure of the thermoset, the process of cure being complex with heating conduction and convection and the heat generated by the cure reaction. The kinetics of the heat evolved from the overall cure reaction is determined through calorimetry experiments in scanning mode. The state of cure at time t is expressed by the heat generated by reaction up to time t as a fraction of the total heat generated. A numerical model taking all the facts into account is able to evaluate the profile of the state of cure developed through the thickness of the thermoset. The state of cure which derives from a theoretical point of view is correlated with some properties of interest for the coating, such as the hardness and the resistance to liquids. The resistance to water and ethanol is evaluated by determining the kinetics of absorption which is controlled by diffusion. copyright 1996 American Institute of Physics

  8. Timing analysis of safety properties using fault trees with time dependencies and timed state-charts

    International Nuclear Information System (INIS)

    Magott, Jan; Skrobanek, Pawel

    2012-01-01

    Behavior in time domain is often crucial for safety critical systems. Standard fault trees cannot express time-dependent behavior. In the paper, timing analysis of safety properties using fault trees with time dependencies (FTTDs) and timed state-charts is presented. A new version of timed state-charts (TSCs) is also proposed. These state-charts can model the dynamics of technical systems, e.g. controllers, controlled objects, and people. In TSCs, activity and communication times are represented by time intervals. In the proposed approach the structure of FTTD is fixed by a human. Time properties of events and gates of FTTD are expressed by time intervals, and are calculated using TSCs. The minimal and maximal values of these time intervals of FTTD can be calculated by finding paths with minimal and maximal time lengths in TSCs, which is an NP-hard problem. In order to reduce the practical complexity of computing the FTTD time parameters, some reductions of TSCs are defined in the paper, such as sequential, alternative, loop (iteration), and parallel. Some of the reductions are intuitive, in case of others—theorems are required. Computational complexity of each reduction is not greater than linear in the size of reduced TSC. Therefore, the obtained results enable decreasing of the costs of FTTD time parameters calculation when system dynamics is expressed by TSCs. Case study of a railroad crossing with a controller that controls semaphores, gate, light-audio signal close to the gate will be analyzed.

  9. Equation of state for dense nucleonic matter from metamodeling. II. Predictions for neutron star properties

    Science.gov (United States)

    Margueron, Jérôme; Hoffmann Casali, Rudiney; Gulminelli, Francesca

    2018-02-01

    Employing recently proposed metamodeling for the nucleonic matter equation of state, we analyze neutron star global properties such as masses, radii, momentum of inertia, and others. The impact of the uncertainty on empirical parameters on these global properties is analyzed in a Bayesian statistical approach. Physical constraints, such as causality and stability, are imposed on the equation of state and different hypotheses for the direct Urca (dUrca) process are investigated. In addition, only metamodels with maximum masses above 2 M⊙ are selected. Our main results are the following: the equation of state exhibits a universal behavior against the dUrca hypothesis under the condition of charge neutrality and β equilibrium; neutron stars, if composed exclusively of nucleons and leptons, have a radius of 12.7 ±0.4 km for masses ranging from 1 up to 2 M⊙ ; a small radius lower than 11 km is very marginally compatible with our present knowledge of the nuclear empirical parameters; and finally, the most important empirical parameters which are still affected by large uncertainties and play an important role in determining the radius of neutrons stars are the slope and curvature of the symmetry energy (Lsym and Ksym) and, to a lower extent, the skewness parameters (Qsat /sym).

  10. The steady-state and time-resolved photophysical properties of a dimeric indium phthalocyanine complex

    International Nuclear Information System (INIS)

    Chen Yu; Araki, Yasuyuki; Dini, Danilo; Liu Ying; Ito, Osamu; Fujitsuka, Mamoru

    2006-01-01

    The steady-state and time-resolved photophysical properties and some molecular orbital calculation results of a dimeric indium phthalocyanine complex with an indium-indium bond, i.e., [tBu 4 PcIn] 2 .2tmed, have been described. The results regarding triplet excited state lifetimes can be ascribed to strong intramolecular interactions existing only in the excited state of this dimer because no significant difference in the absorption spectra of the tBu 4 PcInCl monomer and the [tBu 4 PcIn] 2 .2tmed dimer is observed, suggesting that no ground-state interaction can be assessed. The deactivation processes of the excited singlet state of [tBu 4 PcIn] 2 .2tmed are apparently faster than that of μ-oxo-bridged PcIn dimer [tBu 4 PcIn] 2 O. Molecular orbital calculation on the PcIn dimer shows no node between two indium atoms was found in the HOMO - 2 of the PcIn-InPc dimer, suggesting that bonding electrons distribute between two indium atoms

  11. When does State Interference with Property (now Amount to Expropriation? An Analysis of the Agri SA Court's State Acquisition Requirement (Part II

    Directory of Open Access Journals (Sweden)

    Ernst Jacobus Marais

    2015-04-01

    Full Text Available Section 25 of the Constitution provides two ways in which the state may interfere with property rights, namely deprivation (section 25(1 and expropriation (section 25(2. As only the latter requires compensation, there is an incentive for property holders to label any infringement with their property as expropriation in the hope of being compensated for their losses. It is therefore essential to have a principled distinction between deprivation and expropriation, especially given the danger that uncertainty in this regard can hold for legitimate land reform initiatives, which often entail severe limitations on property. This contribution attends to Agri South Africa v Minister for Minerals and Energy 2013 4 SA 1 (CC, where the Constitutional Court recently revisited this distinction and held that the distinguishing feature of expropriation is that it entails state acquisition of property. Without state acquisition the interference can (at most amount to deprivation. Unfortunately, viewing state acquisition as the "key requirement" for expropriation is problematic. Firstly, it ignores the true nature of this feature in that it is only a consequence of a valid expropriation rather than a pre-requisite for it – at least in terms of pre-constitutional law. It is therefore inaccurate, concerning both pre- and post-constitutional expropriation case law, to regard acquisition as an indispensable requirement for expropriation. Secondly, limiting the constitutional property inquiry to whether or not the state acquired property appears inadequate as a means of solving difficult cases where the state acquires property pursuant to infringements like taxation and criminal forfeiture. As both these examples result in state acquisition, there must be another explanation of why they do not amount to expropriation.

  12. Photon statistical properties of photon-added two-mode squeezed coherent states

    International Nuclear Information System (INIS)

    Xu Xue-Fen; Wang Shuai; Tang Bin

    2014-01-01

    We investigate photon statistical properties of the multiple-photon-added two-mode squeezed coherent states (PA-TMSCS). We find that the photon statistical properties are sensitive to the compound phase involved in the TMSCS. Our numerical analyses show that the photon addition can enhance the cross-correlation and anti-bunching effects of the PA-TMSCS. Compared with that of the TMSCS, the photon number distribution of the PA-TMSCS is modulated by a factor that is a monotonically increasing function of the numbers of adding photons to each mode; further, that the photon addition essentially shifts the photon number distribution. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  13. Impact properties of geopolymeric concrete: a state-of-the-art review

    Science.gov (United States)

    Fang, Chi; Xie, Jianhe; Zhang, Bingxue; Yuan, Bing; Wang, Chonghao

    2018-01-01

    The application of geopolymer instead of cement in construction engineering provides an effective way to achieve sustainable development. A large number of studies have shown that geopolymeric concrete (GC) has excellent static performance. However, there are relatively few studies on the dynamic performance of GC which is of dominate importance in cases such as explosion, earthquake and other impact loads. This paper presents a brief review of recent research on the impact properties of GC, in order to facilitate the research development in this field. The effects of strain rate, fiber type, alkali type, elevated temperature, water environment and flow state on the impact resistance performance of GC were analysed. Research findings revealed that GC exhibited better impact properties than ordinary Portland concrete (OPC).

  14. Bound state properties of ABC-stacked trilayer graphene quantum dots

    Science.gov (United States)

    Xiong, Haonan; Jiang, Wentao; Song, Yipu; Duan, Luming

    2017-06-01

    The few-layer graphene quantum dot provides a promising platform for quantum computing with both spin and valley degrees of freedom. Gate-defined quantum dots in particular can avoid noise from edge disorders. In connection with the recent experimental efforts (Song et al 2016 Nano Lett. 16 6245), we investigate the bound state properties of trilayer graphene (TLG) quantum dots (QDs) through numerical simulations. We show that the valley degeneracy can be lifted by breaking the time reversal symmetry through the application of a perpendicular magnetic field. The spectrum under such a potential exhibits a transition from one group of Landau levels to another group, which can be understood analytically through perturbation theory. Our results provide insight into the transport property of TLG QDs, with possible applications to study of spin qubits and valleytronics in TLG QDs.

  15. Structural, compositional, and sensorial properties of United States commercial ice cream products.

    Science.gov (United States)

    Warren, Maya M; Hartel, Richard W

    2014-10-01

    Commercial vanilla ice cream products from the United States (full fat, low fat, and nonfat) were analyzed for their structural, behavioral (i.e., melt rate and drip-through), compositional, and sensorial attributes. Mean size distributions of ice crystals and air cells, drip-through rates, percent partially coalesced fat, percent overrun and total fat, and density were determined. A trained panel carried out sensory analyses in order to determine correlations between ice cream microstructure attributes and sensory properties using a Spectrum(TM) descriptive analysis. Analyses included melt rate, breakdown, size of ice particulates (iciness), denseness, greasiness, and overall creaminess. To determine relationships and interactions, principle component analysis and multivariate pairwise correlation were performed within and between the instrumental and sensorial data. Greasiness and creaminess negatively correlated with drip-through rate and creaminess correlated with percent total fat and percent fat destabilization. Percent fat did not determine the melt rate on a sensorial level. However, drip-through rate at ambient temperatures was predicted by total fat content of the samples. Based on sensory analysis, high-fat products were noted to be creamier than low and nonfat products. Iciness did not correlate with mean ice crystal size and drip-through rate did not predict sensory melt rate. Furthermore, on a sensorial level, greasiness positively correlated with total percent fat destabilization and mean air cell size positively correlated with denseness. These results indicate that commercial ice cream products vary widely in composition, structure, behavior, and sensory properties. There is a wide range of commercial ice creams in the United States market, ranging from full fat to nonfat. In this research we showed that these ice creams vary greatly in their microstructures, behaviors (the melt/drip-though, collapse, and/or stand up properties of ice cream

  16. State property tax incentives for promoting ecosystem goods and services from private forest land in the United States: a review and analysis

    Science.gov (United States)

    Michael A. Kilgore; Paul B. Ellefson; Travis J. Funk; Gregory E. Frey

    2017-01-01

    Financial incentives provided by State property tax programs are a means of promoting ecosystem services from private forest land. Identified by this 50-State 2015 review, categories of ecosystem services frequently promoted by such programs are open space and scenic resources, conservation of...

  17. Presteady-state and steady-state kinetic properties of human cytochrome c oxidase. Identification of rate-limiting steps in mammalian cytochrome c oxidase

    NARCIS (Netherlands)

    van Kuilenburg, A. B.; Gorren, A. C.; Dekker, H. L.; Nieboer, P.; van Gelder, B. F.; Muijsers, A. O.

    1992-01-01

    Human cytochrome c oxidase was purified in a fully active form from heart and skeletal muscle. The enzyme was selectively solubilised with octylglucoside and KCl from submitochondrial particles followed by ammonium sulphate fractionation. The presteady-state and steady-state kinetic properties of

  18. Dry fracture method for simultaneous measurement of in-situ stress state and material properties

    International Nuclear Information System (INIS)

    Serata, S.; Oka, S.; Kikuchi, S.

    1996-01-01

    Based on the dry fracture principle, a computerized borehole probe has been developed to measure stress state and material properties, simultaneously. The probe is designed to obtain a series of measurements in a continuing sequence along a borehole length, without any interruptive measures, such as resetting packers, taking indentation of borehole wall, overcoming, etc. The new dry fracture probe for the single fracture method is designed to overcome the difficulties posed by its ancestor which was based on the double fracture method. The accuracy of the single fracture method is confirmed by a close agreement with the theory, FE modeling and laboratory testing

  19. Structure functions and final-state properties in deeply inelastic electron-proton scattering

    International Nuclear Information System (INIS)

    Kharraziha, H.

    1997-01-01

    In this thesis, we give a description of the detailed structure of the proton and a description of the final-state properties in electron-proton scattering. Qualitative results, in a purely gluonic scenario with the leading log approximation, and quantitative results, where quarks are included and some sub-leading corrections have been made, are presented. The quantitative results are in fair agreement with available experimental data and a Monte Carlo event generator for electron-proton scattering is presented. Further, a computer program for calculating QCD colour factors is presented

  20. Andreev reflection properties in a parallel mesoscopic circuit with Majorana bound states

    Energy Technology Data Exchange (ETDEWEB)

    Mu, Jin-Tao; Han, Yu [Physics Department, Liaoning University, Shenyang 110036 (China); Gong, Wei-Jiang, E-mail: gwj@mail.neu.edu.cn [College of Sciences, Northeastern University, Shenyang 110819 (China)

    2017-03-15

    We investigate the Andreev reflection in a parallel mesoscopic circuit with Majorana bound states (MBSs). It is found that in such a structure, the Andreev current can be manipulated in a highly efficient way, by the adjustment of bias voltage, dot levels, inter-MBS coupling, and the applied magnetic flux. Besides, the dot-MBS coupling manner is an important factor to modulate the Andreev current, because it influences the period of the conductance oscillation. By discussing the underlying quantum interference mechanism, the Andreev-reflection property is explained in detail. We believe that all the results can assist to understand the nontrivial role of the MBSs in driving the Andreev reflection.

  1. Toward an accurate description of solid-state properties of superheavy elements

    Directory of Open Access Journals (Sweden)

    Schwerdtfeger Peter

    2016-01-01

    Full Text Available In the last two decades cold and hot fusion experiments lead to the production of new elements for the Periodic Table up to nuclear charge 118. Recent developments in relativistic quantum theory have made it possible to obtain accurate electronic properties for the trans-actinide elements with the aim to predict their potential chemical and physical behaviour. Here we report on first results of solid-state calculations for Og (element 118 to support future atom-at-a-time gas-phase adsorption experiments on surfaces such as gold or quartz.

  2. The fermionic projector in a time-dependent external potential: Mass oscillation property and Hadamard states

    Science.gov (United States)

    Finster, Felix; Murro, Simone; Röken, Christian

    2016-07-01

    We give a non-perturbative construction of the fermionic projector in Minkowski space coupled to a time-dependent external potential which is smooth and decays faster than quadratically for large times. The weak and strong mass oscillation properties are proven. We show that the integral kernel of the fermionic projector is of the Hadamard form, provided that the time integral of the spatial sup-norm of the potential satisfies a suitable bound. This gives rise to an algebraic quantum field theory of Dirac fields in an external potential with a distinguished pure quasi-free Hadamard state.

  3. The fermionic projector in a time-dependent external potential: Mass oscillation property and Hadamard states

    International Nuclear Information System (INIS)

    Finster, Felix; Murro, Simone; Röken, Christian

    2016-01-01

    We give a non-perturbative construction of the fermionic projector in Minkowski space coupled to a time-dependent external potential which is smooth and decays faster than quadratically for large times. The weak and strong mass oscillation properties are proven. We show that the integral kernel of the fermionic projector is of the Hadamard form, provided that the time integral of the spatial sup-norm of the potential satisfies a suitable bound. This gives rise to an algebraic quantum field theory of Dirac fields in an external potential with a distinguished pure quasi-free Hadamard state.

  4. The fermionic projector in a time-dependent external potential: Mass oscillation property and Hadamard states

    Energy Technology Data Exchange (ETDEWEB)

    Finster, Felix, E-mail: finster@ur.de, E-mail: simone.murro@ur.de, E-mail: Christian.Roeken@mathematik.ur.de; Murro, Simone, E-mail: finster@ur.de, E-mail: simone.murro@ur.de, E-mail: Christian.Roeken@mathematik.ur.de; Röken, Christian, E-mail: finster@ur.de, E-mail: simone.murro@ur.de, E-mail: Christian.Roeken@mathematik.ur.de [Fakultät für Mathematik, Universität Regensburg, D-93040 Regensburg (Germany)

    2016-07-15

    We give a non-perturbative construction of the fermionic projector in Minkowski space coupled to a time-dependent external potential which is smooth and decays faster than quadratically for large times. The weak and strong mass oscillation properties are proven. We show that the integral kernel of the fermionic projector is of the Hadamard form, provided that the time integral of the spatial sup-norm of the potential satisfies a suitable bound. This gives rise to an algebraic quantum field theory of Dirac fields in an external potential with a distinguished pure quasi-free Hadamard state.

  5. Solid state polymerization: its action on thermal and rheological properties of PET/PC reactive blends

    Directory of Open Access Journals (Sweden)

    Luis C. Mendes

    2013-01-01

    Full Text Available The solid state polymerization (SSP of PET/PC reactive extrusion blends - with and without cobalt catalyst - at different polymer ratios was studied. Thermal and rheological evaluations were performed. DSC results showed changes in the PET's Tg, Tch, Tm and Xc.. The melt flow rate (MFR decreased for PET and the blends. The intrinsic viscosity increased. The variation in calorimetric and rheological properties might be attributed to the PET's chain extension reactions - esterification and transesterification. These reactions led to an increase in the PET's molar mass, consequently shifting the PET's Tg to lower temperature and PET's crystallization, besides reducing the blend miscibility and flowability.

  6. Estimation of the thermophysical and mechanical properties and the equation of state of Li2O

    International Nuclear Information System (INIS)

    Krikorian, O.H.

    1985-01-01

    Correlation methods based on Knoop microhardness and melting points are developed for estimating tensile strength. Young modulus, and Poisson ratio for Li 2 O as a function of grain size, porosity, and temperature. Generalized expressions for extrapolating the existing data on thermal conductivity and thermal expansivity are given. These derived thermophysical data are combined to predict thermal stress factors for Li 2 O. Based on the available vapor pressure data on Li 2 O and empirical correlations for the equation of state in the liquid and vapor phases, estimates of the properties of Li 2 O are made: an approximate critical temperature of 6800+-800 K is obtained. (author)

  7. Mechanical properties of self-compacting concrete state-of-the-art report of the RILEM technical committee 228-MPS on mechanical properties of self-compacting concrete

    CERN Document Server

    Schutter, Geert

    2014-01-01

    The State-of-the-Art Report of RILEM Technical Committee 228-MPS on Mechanical properties of Self-Compacting Concrete (SCC) summarizes an extensive body of information related to mechanical properties and mechanical behaviour of SCC. Due attention is given to the fact that the composition of SCC varies significantly. A wide range of  mechanical properties are considered, including compressive strength, stress-strain relationship, tensile and flexural strengths, modulus of elasticity, shear strength, effect of elevated temperature, such as fire spalling and residual properties after fire, in-situ properties, creep, shrinkage, bond properties, and structural behaviour. A chapter on fibre-reinforced SCC is included, as well as a chapter on specialty SCC, such as light-weight SCC, heavy-weight SCC, preplaced aggregate SCC, special fibre reinforced SCC, and underwater concrete.

  8. Electronic processes in organic electronics bridging nanostructure, electronic states and device properties

    CERN Document Server

    Kudo, Kazuhiro; Nakayama, Takashi; Ueno, Nobuo

    2015-01-01

    The book covers a variety of studies of organic semiconductors, from fundamental electronic states to device applications, including theoretical studies. Furthermore, innovative experimental techniques, e.g., ultrahigh sensitivity photoelectron spectroscopy, photoelectron yield spectroscopy, spin-resolved scanning tunneling microscopy (STM), and a material processing method with optical-vortex and polarization-vortex lasers, are introduced. As this book is intended to serve as a textbook for a graduate level course or as reference material for researchers in organic electronics and nanoscience from electronic states, fundamental science that is necessary to understand the research is described. It does not duplicate the books already written on organic electronics, but focuses mainly on electronic properties that arise from the nature of organic semiconductors (molecular solids). The new experimental methods introduced in this book are applicable to various materials (e.g., metals, inorganic and organic mater...

  9. Interfacial properties at the organic-metal interface probed using quantum well states

    Science.gov (United States)

    Lin, Meng-Kai; Nakayama, Yasuo; Wang, Chin-Yung; Hsu, Jer-Chia; Pan, Chih-Hao; Machida, Shin-ichi; Pi, Tun-Wen; Ishii, Hisao; Tang, S.-J.

    2012-10-01

    Using angle-resolved photoemission spectroscopy, we investigated the interfacial properties between the long-chain normal-alkane molecule n-CH3(CH2)42CH3 [tetratetracontane (TTC)] and uniform Ag films using the Ag quantum well states. The entire quantum well state energy band dispersions were observed to shift toward the Fermi level with increasing adsorption coverage of TTC up to 1 monolayer (ML). However, the energy shifts upon deposition of 1 ML of TTC are approximately inversely dependent on the Ag film thickness, indicating a quantum-size effect. In the framework of the pushback and image-force models, we applied the Bohr-Sommerfeld quantization rule with the modified Coulomb image potential for the phase shift at the TTC/Ag interface to extract the dielectric constant for 1 ML of TTC.

  10. The influence of nonlocal hybridization on ground-state properties of the Falicov-Kimball model

    International Nuclear Information System (INIS)

    Farkasovsky, Pavol

    2005-01-01

    The density matrix renormalization group is used to examine effects of nonlocal hybridization on ground-state properties of the Falicov-Kimball model (FKM) in one dimension. Special attention is devoted to the problem of hybridization-induced insulator-metal transition. It is shown that the picture of insulator-metal transitions found for the FKM with nonlocal hybridization strongly differs from one found for the FKM without hybridization (as well as with local hybridization). The effect of nonlocal hybridization is so strong that it can induce the insulator-metal transition, even in the half-filled band case where the ground states of the FKM without hybridization are insulating for all finite Coulomb interactions. Outside the half-filled band case the metal-insulator transition driven by pressure is found for finite values of nonlocal hybridization

  11. Ground state properties of new element Z=113 and its alpha decay chain

    International Nuclear Information System (INIS)

    Tai Fei; Chen Dinghan; Xu Chang; Ren Zhongzhou

    2005-01-01

    The authors investigate the ground state properties of the new element 278 113 and of the α-decay chain with different models, where the new element Z=113 has been produced at RIKEN in Japan by cold-fusion reaction. The experimental decay energies are reproduced by the deformed relativistic mean-field model, by the Skyrme-Hartree-Fock (SHF) model, and by the macroscopic-microscopic model. Theoretical half-lives also reasonably agree with the data. Calculations further show that prolate deformation is important for the ground states of the nuclei in the α-decay chain of 278 113. The common points and differences among different models are compared and discussed. (author)

  12. Coherent states, 6j symbols and properties of the next to leading order asymptotic expansions

    Energy Technology Data Exchange (ETDEWEB)

    Kamiński, Wojciech, E-mail: wkaminsk@fuw.edu.pl [Wydział Fizyki, Uniwersytet Warszawski, Hoża 69, 00-681, Warsaw (Poland); Perimeter Institute for Theoretical Physics, 31 Caroline Street North, Waterloo, Ontario N2L 2Y5 (Canada); Max Planck Institute for Gravitational Physics, Am Mühlenberg 1, D-14476 Potsdam (Germany); Steinhaus, Sebastian, E-mail: steinhaus.sebastian@gmail.com [Perimeter Institute for Theoretical Physics, 31 Caroline Street North, Waterloo, Ontario N2L 2Y5 (Canada); Max Planck Institute for Gravitational Physics, Am Mühlenberg 1, D-14476 Potsdam (Germany)

    2013-12-15

    We present the first complete derivation of the well-known asymptotic expansion of the SU(2) 6j symbol using a coherent state approach, in particular we succeed in computing the determinant of the Hessian matrix. To do so, we smear the coherent states and perform a partial stationary point analysis with respect to the smearing parameters. This allows us to transform the variables from group elements to dihedral angles of a tetrahedron resulting in an effective action, which coincides with the action of first order Regge calculus associated to a tetrahedron. To perform the remaining stationary point analysis, we compute its Hessian matrix and obtain the correct measure factor. Furthermore, we expand the discussion of the asymptotic formula to next to leading order terms, prove some of their properties and derive a recursion relation for the full 6j symbol.

  13. Coherent states, 6j symbols and properties of the next to leading order asymptotic expansions

    International Nuclear Information System (INIS)

    Kamiński, Wojciech; Steinhaus, Sebastian

    2013-01-01

    We present the first complete derivation of the well-known asymptotic expansion of the SU(2) 6j symbol using a coherent state approach, in particular we succeed in computing the determinant of the Hessian matrix. To do so, we smear the coherent states and perform a partial stationary point analysis with respect to the smearing parameters. This allows us to transform the variables from group elements to dihedral angles of a tetrahedron resulting in an effective action, which coincides with the action of first order Regge calculus associated to a tetrahedron. To perform the remaining stationary point analysis, we compute its Hessian matrix and obtain the correct measure factor. Furthermore, we expand the discussion of the asymptotic formula to next to leading order terms, prove some of their properties and derive a recursion relation for the full 6j symbol

  14. Coherent states, 6j symbols and properties of the next to leading order asymptotic expansions

    Science.gov (United States)

    Kamiński, Wojciech; Steinhaus, Sebastian

    2013-12-01

    We present the first complete derivation of the well-known asymptotic expansion of the SU(2) 6j symbol using a coherent state approach, in particular we succeed in computing the determinant of the Hessian matrix. To do so, we smear the coherent states and perform a partial stationary point analysis with respect to the smearing parameters. This allows us to transform the variables from group elements to dihedral angles of a tetrahedron resulting in an effective action, which coincides with the action of first order Regge calculus associated to a tetrahedron. To perform the remaining stationary point analysis, we compute its Hessian matrix and obtain the correct measure factor. Furthermore, we expand the discussion of the asymptotic formula to next to leading order terms, prove some of their properties and derive a recursion relation for the full 6j symbol.

  15. Equation of state for thermodynamic properties of pure and mixtures liquid alkali metals

    International Nuclear Information System (INIS)

    Mousazadeh, M.H.; Faramarzi, E.; Maleki, Z.

    2010-01-01

    We developed an equation of state based on statistical-mechanical perturbation theory for pure and mixtures alkali metals. Thermodynamic properties were calculated by the equation of state, based on the perturbed-chain statistical associating fluid theory (PC-SAFT). The model uses two parameters for a monatomic system, segment size, σ, and segment energy, ε. In this work, we calculate the saturation and compressed liquid density, heat capacity at constant pressure and constant volume, isobaric expansion coefficient, for which accurate experimental data exist in the literatures. Results on the density of binary and ternary alkali metal alloys of Cs-K, Na-K, Na-K-Cs, at temperatures from the freezing point up to several hundred degrees above the boiling point are presented. The calculated results are in good agreement with experimental data.

  16. State-selective multireference coupled-cluster theory: In pursuit of property calculation

    International Nuclear Information System (INIS)

    Ghose, K.B.; Piecuch, P.; Pal, S.; Adamowicz, L.

    1996-01-01

    In this work, we examine the efficiency of the recently developed [P. Piecuch et al., J. Chem. Phys. 99, 6732 (1993)] state-selective (SS) multi-reference (MR) coupled-cluster (CC) method for calculation of molecular properties. In our earlier papers, we demonstrated that the SSMRCC method with inclusion of single, double, and internal and semi-internal triple excitations [SSCCSD(T) approach] is capable of providing an accurate description of the ground-state potential energy surfaces. In this paper, we present the dipole moment and polarizability values of the HF molecule at equilibrium and stretched geometries calculated using finite field technique and SSCCSD(T) ansatz. The calculations use double zeta quality basis sets with and without polarization functions. Molecular orbital basis sets include both relaxed and nonrelaxed orbitals. copyright 1996 American Institute of Physics

  17. Ground state properties of the bond alternating spin-1/2 anisotropic Heisenberg chain

    Directory of Open Access Journals (Sweden)

    S. Paul

    2017-06-01

    Full Text Available Ground state properties, dispersion relations and scaling behaviour of spin gap of a bond alternating spin-1/2 anisotropic Heisenberg chain have been studied where the exchange interactions on alternate bonds are ferromagnetic (FM and antiferromagnetic (AFM in two separate cases. The resulting models separately represent nearest neighbour (NN AFM-AFM and AFM-FM bond alternating chains. Ground state energy has been estimated analytically by using both bond operator and Jordan-Wigner representations and numerically by using exact diagonalization. Dispersion relations, spin gap and several ground state orders have been obtained. Dimer order and string orders are found to coexist in the ground state. Spin gap is found to develop as soon as the non-uniformity in alternating bond strength is introduced in the AFM-AFM chain which further remains non-zero for the AFM-FM chain. This spin gap along with the string orders attribute to the Haldane phase. The Haldane phase is found to exist in most of the anisotropic region similar to the isotropic point.

  18. Distinguished quantum states in a class of cosmological spacetimes and their Hadamard property

    Energy Technology Data Exchange (ETDEWEB)

    Dappiaggi, Claudio; Pinamonti, Nicola [Hamburg Univ. (Germany). II. Inst. fuer Theoretische Physik; Moretti, Valter [Trento Univ. (Italy). Dipt. di Matematica; Ist. Nazionale di Alta Matematica, Unita locale di Trento (Italy); Ist. Nazionale di Fisica, Povo (Italy)

    2008-12-15

    In a recent paper, we proved that a large class of spacetimes, not necessarily homogeneous or isotropic and relevant at a cosmological level, possesses a preferred codimension one submanifold, i.e., the past cosmological horizon, on which it is possible to encode the information of a scalar field theory living in the bulk. Such bulk-to-boundary reconstruction procedure entails the identification of a preferred quasifree algebraic state for the bulk theory, enjoying remarkable properties concerning invariance under isometries (if any) of the bulk and energy positivity, and reducing to well-known vacua in standard situations. In this paper, specialising to open FRW models, we extend previously obtained results and we prove that the preferred state is of Hadamard form, hence the backreaction on the metric is finite and the state can be used as a starting point for renormalisation procedures. That state could play a distinguished role in the discussion of the evolution of scalar fluctuations of the metric, an analysis often performed in the development of any model describing the dynamic of an early Universe which undergoes an inflationary phase of rapid expansion in the past. (orig.)

  19. Distinguished quantum states in a class of cosmological spacetimes and their Hadamard property

    International Nuclear Information System (INIS)

    Dappiaggi, Claudio; Pinamonti, Nicola

    2008-12-01

    In a recent paper, we proved that a large class of spacetimes, not necessarily homogeneous or isotropic and relevant at a cosmological level, possesses a preferred codimension one submanifold, i.e., the past cosmological horizon, on which it is possible to encode the information of a scalar field theory living in the bulk. Such bulk-to-boundary reconstruction procedure entails the identification of a preferred quasifree algebraic state for the bulk theory, enjoying remarkable properties concerning invariance under isometries (if any) of the bulk and energy positivity, and reducing to well-known vacua in standard situations. In this paper, specialising to open FRW models, we extend previously obtained results and we prove that the preferred state is of Hadamard form, hence the backreaction on the metric is finite and the state can be used as a starting point for renormalisation procedures. That state could play a distinguished role in the discussion of the evolution of scalar fluctuations of the metric, an analysis often performed in the development of any model describing the dynamic of an early Universe which undergoes an inflationary phase of rapid expansion in the past. (orig.)

  20. Deterioration of mechanical properties of high strength structural steel S460N under transient state fire condition

    International Nuclear Information System (INIS)

    Qiang, Xuhong; Bijlaard, Frans S.K.; Kolstein, Henk

    2012-01-01

    Highlights: ► Mechanical properties of S460N under transient state fire condition are obtained. ► Elevated-temperature mechanical properties of steels are dependent on steel grades. ► No design standard is applicable to HSS S460N under transient state fire condition. ► Specific statements on various HSS in fire should be proposed in design standards. ► Research results offer accurate material property for structural design engineers. -- Abstract: 911 World Trade Centre Tragedy put fire safety of constructional steel structures into question. Since then, more and more research attention has been paid to the elevated-temperature mechanical properties of structural steels, which is a critical basis of evaluating the fire performance of steel structures. In the literature the available mechanical properties of structural steels under fire conditions were mainly obtained from steady state test method, as steady state test method is easier to perform than transient state test method and offers stress–strain curves directly. However, the transient state fire condition is considered to be more realistic to represent the real condition when constructions are exposed to fire. In order to reveal the deterioration of mechanical properties of the commonly used high strength structural steel S460N under transient state fire condition, tensile tests were conducted under various constant stress levels up to 800 MPa. The reduction factors of elastic modulus, yield and ultimate strengths of S460N under transient state fire condition were obtained and compared with current leading design standards and available literature. The application of such accurate elevated-temperature mechanical properties reduction factors of S460N can ensure a safe fire-resistance design and evaluation of steel structures with high strength steel S460N under transient state fire condition. This experimental study also supports other relative research on fire performance of steel structures with

  1. Unraveling the Solution-State Supramolecular Structures of Donor-Acceptor Polymers and their Influence on Solid-State Morphology and Charge-Transport Properties.

    Science.gov (United States)

    Zheng, Yu-Qing; Yao, Ze-Fan; Lei, Ting; Dou, Jin-Hu; Yang, Chi-Yuan; Zou, Lin; Meng, Xiangyi; Ma, Wei; Wang, Jie-Yu; Pei, Jian

    2017-11-01

    Polymer self-assembly in solution prior to film fabrication makes solution-state structures critical for their solid-state packing and optoelectronic properties. However, unraveling the solution-state supramolecular structures is challenging, not to mention establishing a clear relationship between the solution-state structure and the charge-transport properties in field-effect transistors. Here, for the first time, it is revealed that the thin-film morphology of a conjugated polymer inherits the features of its solution-state supramolecular structures. A "solution-state supramolecular structure control" strategy is proposed to increase the electron mobility of a benzodifurandione-based oligo(p-phenylene vinylene) (BDOPV)-based polymer. It is shown that the solution-state structures of the BDOPV-based conjugated polymer can be tuned such that it forms a 1D rod-like structure in good solvent and a 2D lamellar structure in poor solvent. By tuning the solution-state structure, films with high crystallinity and good interdomain connectivity are obtained. The electron mobility significantly increases from the original value of 1.8 to 3.2 cm 2 V -1 s -1 . This work demonstrates that "solution-state supramolecular structure" control is critical for understanding and optimization of the thin-film morphology and charge-transport properties of conjugated polymers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Hybrid lead halide perovskites for light energy conversion: Excited state properties and photovoltaic applications

    Science.gov (United States)

    Manser, Joseph S.

    The burgeoning class of metal halide perovskites constitutes a paradigm shift in the study and application of solution-processed semiconductors. Advancements in thin film processing and our understanding of the underlying structural, photophysical, and electronic properties of these materials over the past five years have led to development of perovskite solar cells with power conversion efficiencies that rival much more mature first and second-generation commercial technologies. It seems only a matter of time before the real-world impact of these compounds is put to the test. Like oxide perovskites, metal halide perovskites have ABX3 stoichiometry, where typically A is a monovalent cation, B a bivalent post-transition metal, and X a halide anion. Characterizing the behavior of photogenerated charges in metal halide perovskites is integral for understanding the operating principles and fundamental limitations of perovskite optoelectronics. The majority of studies outlined in this dissertation involve fundamental study of the prototypical organic-inorganic compound methylammonium lead iodide (CH3NH3PbI 3). Time-resolved pump-probe spectroscopy serves as a principle tool in these investigations. Excitation of a semiconductor can lead to formation of a number different excited state species and electronic complexes. Through analysis of excited state decay kinetics and optical nonlinearities in perovskite thin films, we identify spontaneous formation of a large fraction of free electrons and holes, whose presence is requisite for efficient photovoltaic operation. Following photogeneration of charge carriers in a semiconductor absorber, these species must travel large distances across the thickness of the material to realize large external quantum efficiencies and efficient carrier extraction. Using a powerful technique known as transient absorption microscopy, we directly image long-range carrier diffusion in a CH3NH3PbI 3 thin film. Charges are unambiguously shown to

  3. Effect of fiber surface state on mechanical properties of Cf/Si-O-C composites

    International Nuclear Information System (INIS)

    Wang Song; Chen Zhaohui; Ma Qingsong; Hu Haifeng; Zheng Wenwei

    2005-01-01

    Three-dimensional braided carbon fiber reinforced silicon oxycarbide composites (3D-B C f /Si-O-C) were fabricated via a polysiloxane infiltration and pyrolysis route. The effects of fiber surface state on microstructure and mechanical properties of C f /Si-O-C composites were investigated. The change of carbon fiber surface state was achieved via heat treatment in vacuum. The results showed that heat treatment decreased carbon fiber surface activity due to the decrease of the amount of oxygen and nitrogen atoms. The C f /Si-O-C composites fabricated from the carbon fiber with low surface activity had excellent mechanical properties, which resulted from perfect interfacial bonding and good in situ fiber strength. The flexural strength and fracture toughness of the C f /Si-O-C composites from the treated fiber were 534 MPa and 23.4 MPa m 1/2 , respectively, which were about 7 and 11 times more than those of the composites from the as-received carbon fiber, respectively

  4. Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

    International Nuclear Information System (INIS)

    Abedinpour, Saeed H.; Asgari, Reza; Tanatar, B.; Polini, Marco

    2014-01-01

    We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler–Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the “pair amplitude” √(g(r)), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow–Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree–Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation–dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density–density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings. -- Highlights: •We have studied the ground state properties of a strongly correlated two-dimensional fluid of dipolar fermions. •We have calculated the effective inter-particle interaction and the dynamical density–density response function. •We have shown that an undamped zero sound mode exists at any value of the interaction strength

  5. Modification of solid-state property of sulfasalazine by using the supercritical antisolvent process

    Science.gov (United States)

    Wu, Wei-Yi; Su, Chie-Shaan

    2017-02-01

    In this study, the supercritical antisolvent (SAS) process was used to recrystallize an active pharmaceutical ingredient, sulfasalazine, to modify the solid-state properties including particle size, crystal habit and polymorphic form. Supercritical CO2 and tetrahydrofuran were used as the antisolvent and solvent, respectively. SAS results obtained from different operating temperatures (35, 45, 55 and 65 °C) were compared and discussed. The results indicate that at 55 °C, spherical sulfasalazine crystals were produced and that their mean particle size was micronized to approximately 1 μm. In addition, according to the analytical results of powder X-ray diffractometry (PXRD), a novel polymorphic form of sulfasalazine was obtained after SAS. Furthermore, the spectroscopic and thermal behavior of produced sulfasalazine crystals were also studied by Fourier transform infrared spectrometry (FTIR), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Finally, SAS results obtained from different operating temperature was discussed on the basis of the mixture critical point (MCP) of CO2 and tetrahydrofuran. Operation at slightly higher than the MCP is favorable for recrystallization of sulfasalazine through SAS. These results demonstrate that the SAS process is an efficient tool for controlling and modifying the solid-state property of sulfasalazine.

  6. Effect of chitosan ethers on fresh state properties of lime mortars

    Science.gov (United States)

    Vyšvařil, M.; Žižlavský, T.

    2017-10-01

    The fresh state properties of mortars are eminently important since determine the material workability and also have a great influence on its hardened state characteristics. In this paper, the behaviour of fresh lime mortars modified by etherified derivatives of chitosan (hydroxypropylchitosan (HPCH) and carboxymethylchitosan (CMCH)) is assessed with the purpose of exploring a new application of such derivatives as lime mortar admixtures. The rheological parameters (relative yield stress, consistency coefficient and fluidity index) and viscoelastic properties were correlated with flow table tests, relative density measurements, water retention abilities of mortars and air content in mortars. Results were seen to be strongly dependent on substituents of the chitosan. Non-ionic derivative (HPCH) had a plasticizing influence on the mortars; the ionic CMCH showed the thickening effect. The effect of chitosan ethers was found to be dosage-dependent. CMCH had low impact on water retention, while HPCH displayed high water retention capability. It was concluded, that the ionic derivative (CMCH) is very similar by its viscosity enhancing effect to starch ether.

  7. State-specific transport properties of electronically excited Ar and C

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2018-05-01

    In the present study, a theoretical model of state-resolved transport properties in electronically excited atomic species developed earlier is applied to argon and carbon atomic species. It is shown that for Ar and C, similarly to the case of atomic nitrogen and oxygen, the Slater-like models can be applied to calculate diameters of electronically excited atoms. Using the Slater-like model it is shown that for half-filled N (2 px1py1pz1) and full-filled Ar (3 px2py2pz2) electronic shells the growth of atomic radius goes slowly compared to C (2 px1py1) and O (2 px2py1pz1). The effect of collision diameters on the transport properties of Ar and C is evaluated. The influence of accounted number of electronic levels on the transport coefficients is examined for the case of Boltzmann distributions over electronic energy levels. It is emphasized that in the temperature range 1000-14000 K, for Boltzmann-like distributions over electronic states the number of accounted electronic levels do not influence the transport coefficients. Contrary to this, for higher temperatures T > 14000 K this effect becomes of importance, especially for argon.

  8. Effect of surface stress state on dissolution property of Alloy 690 in simulated primary water condition

    International Nuclear Information System (INIS)

    Kim, Kyung Mo; Shim, Hee-Sang; Lee, Eun Hee; Seo, Myung Ji; Han, Jung Ho; Hur, Do Haeng

    2014-01-01

    The dissolution control of nickel is important to reduce the radioactive dose rate and deterioration of fuel performance in the operation of nuclear power plants (PWR). The corrosion properties are affected by the metal surface residual stress introduced in manufacture process such as work hardening. This work studied the effect of surface modification on the release rate of Alloy 690, nickel-base alloy for a steam generator tube, in the test condition of simulated primary water chemistry in PWRs. The surface stress modification was applied by the electro-polishing and shot peening method. Shot peening process was applied using ceramic beads with different intensities through the variation of air pressure. The corrosion release tests performed at 330degC with LiOH 2 ppm and H 3 BO 4 1200 ppm, DH(dissolved hydrogen) 35 cc/kg (STP) and about 20 ppb of DO(dissolved oxygen) condition. The corrosion release rate was evaluated by a gravimetric analysis method and the surface analysed by SEM and optical microscope. The surface residual stress was measured by an X-ray diffractometer, and the distribution of stress state was evaluated by a micro-hardness tester. The metal ion release rate of alloy 690 was evaluated from the influence of the stress state on the metal surface. The oxide property and structure was affected by the residual stress in the oxide layer. (author)

  9. Ground-state properties of anyons in a one-dimensional lattice

    Science.gov (United States)

    Tang, Guixin; Eggert, Sebastian; Pelster, Axel

    2015-12-01

    Using the Anyon-Hubbard Hamiltonian, we analyze the ground-state properties of anyons in a one-dimensional lattice. To this end we map the hopping dynamics of correlated anyons to an occupation-dependent hopping Bose-Hubbard model using the fractional Jordan-Wigner transformation. In particular, we calculate the quasi-momentum distribution of anyons, which interpolates between Bose-Einstein and Fermi-Dirac statistics. Analytically, we apply a modified Gutzwiller mean-field approach, which goes beyond a classical one by including the influence of the fractional phase of anyons within the many-body wavefunction. Numerically, we use the density-matrix renormalization group by relying on the ansatz of matrix product states. As a result it turns out that the anyonic quasi-momentum distribution reveals both a peak-shift and an asymmetry which mainly originates from the nonlocal string property. In addition, we determine the corresponding quasi-momentum distribution of the Jordan-Wigner transformed bosons, where, in contrast to the hard-core case, we also observe an asymmetry for the soft-core case, which strongly depends on the particle number density.

  10. Efficient Syntheses of Novel Fluoro-Substituted Pentacenes and Azapentacenes: Molecular and Solid-State Properties.

    Science.gov (United States)

    Schwaben, Jonas; Münster, Niels; Klues, Michael; Breuer, Tobias; Hofmann, Philipp; Harms, Klaus; Witte, Gregor; Koert, Ulrich

    2015-09-21

    Non-symmetrical 6,13-disubstituted pentacenes bearing trifluoromethyl and aryl substituents have been synthesized starting from pentacenequinone. Diazapentacenes with a variety of fluorine substituents were prepared either via a Hartwig-Buchwald aryl amination route or by a SNAr strategy. As a result of a non-symmetric substitution pattern containing electron-donating substituents in combination with electron-accepting fluorine substituents, the synthesized compounds feature distinct molecular dipoles. All compounds are analyzed regarding their optoelectronic properties in solution with special focus on the frontier orbital energies as well as their molecular packing in the crystal structures. The analyses of isolated molecules are complemented by thin-film studies to examine their solid-state properties. A precise comparison between these and the molecular properties gave detailed insights into the exciton binding energies of these compounds, which are explained by means of a simple model considering the molecular packing and polarizabilities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Effect of altered thyroid state on the in situ mechanical properties of adult cat soleus

    Science.gov (United States)

    Roy, R. R.; Zhong, H.; Hodgson, J. A.; Grossman, E. J.; Edgerton, V. R.

    2003-01-01

    To determine the responsiveness of cat hindlimb muscles to thyroid manipulation, adult female cats were made hypothyroid (thyroidectomy plus tapazole treatment), hyperthyroid (synthroid pellets), or maintained euthyroid. After 4 months, the hypothyroid soleus had slower time-to-peak (TPT, 80%) and half-relaxation (HRT) times, whereas the hyperthyroid soleus had faster TPT (20%) and HRT than euthyroid cats. The tension at low stimulation frequencies (5-15 Hz) was higher in hypothyroid and lower in hyperthyroid cats compared to euthyroid cats. Muscle weight, maximum twitch and tetanic (Po) tensions, and maximum rates of shortening (Vmax) were similar across groups. The soleus of hypothyroid cats was more fatigable than normal. The myosin heavy chain (MHC) composition, based on gel electrophoresis, was unaffected by thyroid hormone manipulation. Based on the reaction of monoclonal antibodies for specific MHCs, some fast fibers in the hypothyroid cats coexpressed developmental MHC. These data indicate that 4 months of an altered thyroid state result in changes in the isometric twitch speed properties of the cat soleus, but not the tension-related or isotonic properties. Further, a chronic decrease in thyroid hormone had a greater impact than a chronic increase in thyroid hormone on the mechanical properties of the adult cat soleus. Copyright 2003 S. Karger AG, Basel.

  12. Convergence of Ground and Excited State Properties of Divacancy Defects in 4H-SiC with Computational Cell Size

    Science.gov (United States)

    2018-03-01

    SiC with Computational Cell Size by Ariana Beste and DeCarlos E Taylor Approved for public release; distribution is unlimited...Laboratory Convergence of Ground and Excited State Properties of Divacancy Defects in 4H-SiC with Computational Cell Size by Ariana Beste...Ground and Excited State Properties of Divacancy Defects in 4H-SiC with Computational Cell Size 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM

  13. Diffusive and quantum effects of water properties in different states of matter

    International Nuclear Information System (INIS)

    Yeh, Kuan-Yu; Huang, Shao-Nung; Chen, Li-Jen; Lin, Shiang-Tai

    2014-01-01

    The enthalpy, entropy, and free energy of water are important physical quantities for understanding many interesting phenomena in biological systems. However, conventional approaches require different treatments to incorporate quantum and diffusive effects of water in different states of matter. In this work, we demonstrate the use of the two-phase thermodynamic (2PT) model as a unified approach to obtain the properties of water over the whole phase region of water from short (∼20 ps) classical molecular dynamics trajectories. The 2PT model provides an effective way to separate the diffusive modes (gas-like component) from the harmonic vibrational modes (solid-like component) in the vibrational density of states (DoS). Therefore, both diffusive and quantum effect can be properly accounted for water by applying suitable statistical mechanical weighting functions to the DoS components. We applied the 2PT model to systematically examine the enthalpy, entropy, and their temperature dependence of five commonly used rigid water models. The 2PT results are found to be consistent with those obtained from more sophisticated calculations. While the thermodynamic properties determined from different water models are largely similar, the phase boundary determined from the equality of free energy is very sensitive to the small inaccuracy in the values of enthalpy and absolute entropy. The enthalpy, entropy, and diffusivity of water are strongly interrelated, which challenge further improvement of rigid water model via parameter fitting. Our results show that the 2PT is an efficient method for studying the properties of water under various chemical and biological environments

  14. Relationships among oxidation-reduction and acid-base properties of the actinides in high oxidation states

    International Nuclear Information System (INIS)

    Morss, L.R.

    1992-01-01

    The first chemical identification of plutonium, its subsequent isolation on the macroscopic scale, and more recent chemical separation schemes were achieved by taking advantage of the differences among the oxidation states of uranium, neptunium, and plutonium. Many acid-base properties modify the relative stabilities of oxidation states of the actinides. In the solid state, strongly basic compounds such as Cs 2 O yield complex oxides with oxidation states of Np(VII), Pu(VI), and Am(VI) whereas more acidic compounds such as CsF yield complex fluorides with lower oxidation states. In aqueous solution, high basicity and strongly covalent complexes favor high oxidation states. In nonaqueous solvent systems, high acidity generally favors low oxidation states. This paper elucidates and attempts to interpret the effects of these acid-base properties in a systematic fashion

  15. Variability of soil fertility properties in areas planted to sugarcane in the State of Goias, Brazil

    Directory of Open Access Journals (Sweden)

    José Avelino Cardoso

    2014-04-01

    Full Text Available Soil sampling should provide an accurate representation of a given area so that recommendations for amendments of soil acidity, fertilization and soil conservation may be drafted to increase yield and improve the use of inputs. The aim of this study was to evaluate the variability of soil fertility properties of Oxisols in areas planted to sugarcane in the State of Goias, Brazil. Two areas of approximately 8,100 m² each were selected, representing two fields of the Goiasa sugarcane mill in Goiatuba. The sugarcane crop had a row spacing of 1.5 m and subsamples were taken from 49 points in the row and 49 between the row with a Dutch auger at depths of 0.0-0.2 and 0.2-0.4 m, for a total of 196 subsamples for each area. The samples were individually subjected to chemical analyses of soil fertility (pH in CaCl2, potential acidity, organic matter, P, K, Ca and Mg and particle size analysis. The number of subsamples required to compose a sample within the acceptable ranges of error of 5, 10, 20 and 40 % of each property were computed from the coefficients of variation and the Student t-value for 95 % confidence. The soil properties under analysis exhibited different variabilities: high (P and K, medium (potential acidity, Ca and Mg and low (pH, organic matter and clay content. Most of the properties analyzed showed an error of less than 20 % for a group of 20 subsamples, except for P and K, which were capable of showing an error greater than 40 % around the mean. The extreme variability in phosphorus, particularly at the depth of 0.2-0.4 m, attributed to banded application of high rates of P fertilizers at planting, places limitations on assessment of its availability due to the high number of subsamples required for a composite sample.

  16. Helical Propensity Affects the Conformational Properties of the Denatured State of Cytochrome c'.

    Science.gov (United States)

    Danielson, Travis A; Bowler, Bruce E

    2018-01-23

    Changing the helical propensity of a polypeptide sequence might be expected to affect the conformational properties of the denatured state of a protein. To test this hypothesis, alanines at positions 83 and 87 near the center of helix 3 of cytochrome c' from Rhodopseudomonas palustris were mutated to serine to decrease the stability of this helix. A set of 13 single histidine variants in the A83S/A87S background were prepared to permit assessment of the conformational properties of the denatured state using histidine-loop formation in 3 M guanidine hydrochloride. The data are compared with previous histidine-heme loop formation data for wild-type cytochrome c'. As expected, destabilization of helix 3 decreases the global stabilities of the histidine variants in the A83S/A87S background relative to the wild-type background. Loop stability versus loop size data yields a scaling exponent of 2.1 ± 0.2, similar to the value of 2.3 ± 0.2 obtained for wild-type cytochrome c'. However, the stabilities of all histidine-heme loops, which contain the helix 3 sequence segment, are increased in the A83S/A87S background compared to the wild-type background. Rate constants for histidine-heme loop breakage are similar for the wild-type and A83S/A87S variants. However, for histidine-heme loops that contain the helix 3 sequence segment, the rate constants for loop formation increase in the A83S/A87S background compared to the wild-type background. Thus, residual helical structure appears to stiffen the polypeptide chain slowing loop formation in the denatured state. The implications of these results for protein folding mechanisms are discussed. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  17. Black carbon mixing state impacts on cloud microphysical properties: effects of aerosol plume and environmental conditions

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Ping Pui; Riemer, Nicole; West, Matthew

    2016-05-27

    Black carbon (BC) is usually mixed with other aerosol species within individual aerosol particles. This mixture, along with the particles' size and morphology, determines the particles' optical and cloud condensation nuclei properties, and hence black carbon's climate impacts. In this study the particle-resolved aerosol model PartMC-MOSAIC was used to quantify the importance of black carbon mixing state for predicting cloud microphysical quantities. Based on a set of about 100 cloud parcel simulations a process level analysis framework was developed to attribute the response in cloud microphysical properties to changes in the underlying aerosol population ("plume effect") and the cloud parcel cooling rate ("parcel effect"). It shows that the response of cloud droplet number concentration to changes in BC emissions depends on the BC mixing state. When the aerosol population contains mainly aged BC particles an increase in BC emission results in increasing cloud droplet number concentrations ("additive effect"). In contrast, when the aerosol population contains mainly fresh BC particles they act as sinks for condensable gaseous species, resulting in a decrease in cloud droplet number concentration as BC emissions are increased ("competition effect"). Additionally, we quantified the error in cloud microphysical quantities when neglecting the information on BC mixing state, which is often done in aerosol models. The errors ranged from -12% to +45% for the cloud droplet number fraction, from 0% to +1022% for the nucleation-scavenged black carbon (BC) mass fraction, from -12% to +4% for the effective radius, and from -30% to +60% for the relative dispersion.

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

    International Nuclear Information System (INIS)

    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. Electronic properties of excited states in single InAs quantum dots

    International Nuclear Information System (INIS)

    Warming, Till

    2009-01-01

    The application of quantum-mechanical effects in semiconductor nanostructures enables the realization of novel opto-electronic devices. Examples are given by single-photon emitters and emitters of entangled photon pairs, both being essential for quantum cryptography, or for qubit systems as needed for quantum computing. InAs/GaAs quantum dots are one of the most promising candidates for such applications. A detailed knowledge of the electronic properties of quantum dots is a prerequisite for this development. The aim of this work is an experimental access to the detailed electronic structure of the excited states in single InAs/GaAs quantum dots including few-particle effects and in particular exchange interaction. The experimental approach is micro photoluminescence excitation spectroscopy (μPLE). One of the main difficulties using μPLE to probe single QDs is the unambiguous assignment of the observed resonances in the spectrum to specific transitions. By comparing micro photoluminescence (μPL) and μPLE spectra, the identification of the main resonances becomes possible. The key is given by the fine structure of the hot trion. Excitation spectroscopy on single charged QDs enables for the first time the complete observation of a non-trivial fine structure of an excitonic complex in a QD, the hot trion. Modelling based on eight-band k.p theory in combination with a configuration interaction scheme is in excellent agreement. Therewith the simulation also enables realistic predictions on the fine structure of the ground-state exciton which is of large importance for single quantum dot devices. Theory concludes from the observed transitions that the structural symmetry of the QDs is broken. Micro photoluminescence excitation spectroscopy combined with resonantly excited micro photoluminescence enables an optical access to the single particle states of the hole without the influence of few-particle coulomb interactions. Based on this knowledge the exciton binding

  20. Triplet excited state properties in variable gap π-conjugated donor–acceptor–donor chromophores

    KAUST Repository

    Cekli, Seda; Winkel, Russell W.; Alarousu, Erkki; Mohammed, Omar F.; Schanze, Kirk S.

    2016-01-01

    A series of variable band-gap donor–acceptor–donor (DAD) chromophores capped with platinum(II) acetylide units has been synthesized and fully characterized by electrochemical and photophysical methods, with particular emphasis placed on probing triplet excited state properties. A counter-intuitive trend of increasing fluorescence quantum efficiency and lifetime with decreasing excited state energy (optical gap) is observed across the series of DAD chromophores. Careful study of the excited state dynamics, including triplet yields (as inferred from singlet oxygen sensitization), reveals that the underlying origin of the unusual trend in the fluorescence parameters is that the singlet–triplet intersystem crossing rate and yield decrease with decreasing optical gap. It is concluded that the rate of intersystem crossing decreases as the LUMO is increasingly localized on the acceptor unit in the DAD chromophore, and this result is interpreted as arising because the extent of spin–orbit coupling induced by the platinum heavy metal centers decreases as the LUMO is more localized on the acceptor. In addition to the trend in intersystem crossing, the results show that the triplet decay rates follow the Energy Gap Law correlation over a 1.8 eV range of triplet energy and 1000-fold range of triplet decay rates. Finally, femtosecond transient absorption studies for the DAD chromophores reveals a strong absorption in the near-infrared region which is attributed to the singlet excited state. This spectral band appears to be general for DAD chromophores, and may be a signature of the charge transfer (CT) singlet excited state.

  1. Triplet excited state properties in variable gap π-conjugated donor–acceptor–donor chromophores

    KAUST Repository

    Cekli, Seda

    2016-02-12

    A series of variable band-gap donor–acceptor–donor (DAD) chromophores capped with platinum(II) acetylide units has been synthesized and fully characterized by electrochemical and photophysical methods, with particular emphasis placed on probing triplet excited state properties. A counter-intuitive trend of increasing fluorescence quantum efficiency and lifetime with decreasing excited state energy (optical gap) is observed across the series of DAD chromophores. Careful study of the excited state dynamics, including triplet yields (as inferred from singlet oxygen sensitization), reveals that the underlying origin of the unusual trend in the fluorescence parameters is that the singlet–triplet intersystem crossing rate and yield decrease with decreasing optical gap. It is concluded that the rate of intersystem crossing decreases as the LUMO is increasingly localized on the acceptor unit in the DAD chromophore, and this result is interpreted as arising because the extent of spin–orbit coupling induced by the platinum heavy metal centers decreases as the LUMO is more localized on the acceptor. In addition to the trend in intersystem crossing, the results show that the triplet decay rates follow the Energy Gap Law correlation over a 1.8 eV range of triplet energy and 1000-fold range of triplet decay rates. Finally, femtosecond transient absorption studies for the DAD chromophores reveals a strong absorption in the near-infrared region which is attributed to the singlet excited state. This spectral band appears to be general for DAD chromophores, and may be a signature of the charge transfer (CT) singlet excited state.

  2. Rigorous construction and Hadamard property of the Unruh state in Schwarzschild spacetime

    International Nuclear Information System (INIS)

    Dappiaggi, Claudio; Pinamonti, Nicola

    2009-07-01

    The discovery of the radiation properties of black holes prompted the search for a natural candidate quantum ground state for a massless scalar field theory on Schwarzschild spacetime, here considered in the Eddington-Finkelstein representation. Among the several available proposals in the literature, an important physical role is played by the so-called Unruh state which is supposed to be appropriate to capture the physics of a black hole formed by spherically symmetric collapsing matter. Within this respect, we shall consider a massless Klein-Gordon field and we shall rigorously and globally construct such state, that is on the algebra of Weyl observables localised in the union of the static external region, the future event horizon and the non-static black hole region. Eventually, out of a careful use of microlocal techniques, we prove that the built state fulfils, where defined, the so-called Hadamard condition; hence, it is perturbatively stable, in other words realizing the natural candidate with which one could study purely quantum phenomena such as the role of the back reaction of Hawking's radiation. From a geometrical point of view, we shall make a profitable use of a bulk-to-boundary reconstruction technique which carefully exploits the Killing horizon structure as well as the conformal asymptotic behaviour of the underlying background. From an analytical point of view, our tools will range from Hoermander's theorem on propagation of singularities, results on the role of passive states, and a detailed use of the recently discovered peeling behaviour of the solutions of the wave equation in Schwarzschild spacetime. (orig.)

  3. Rigorous construction and Hadamard property of the Unruh state in Schwarzschild spacetime

    Energy Technology Data Exchange (ETDEWEB)

    Dappiaggi, Claudio; Pinamonti, Nicola [Hamburg Univ. (Germany). II. Inst. fuer Theoretische Physik; Moretti, Valter [Trento Univ., Povo (Italy). Dipt. di Matematica; Istituto Nazionale di Fisica Nucleare, Povo (Italy); Istituto Nazionale di Alta Matematica ' ' F. Severi' ' , GNFM, Sesto Fiorentino (Italy)

    2009-07-15

    The discovery of the radiation properties of black holes prompted the search for a natural candidate quantum ground state for a massless scalar field theory on Schwarzschild spacetime, here considered in the Eddington-Finkelstein representation. Among the several available proposals in the literature, an important physical role is played by the so-called Unruh state which is supposed to be appropriate to capture the physics of a black hole formed by spherically symmetric collapsing matter. Within this respect, we shall consider a massless Klein-Gordon field and we shall rigorously and globally construct such state, that is on the algebra of Weyl observables localised in the union of the static external region, the future event horizon and the non-static black hole region. Eventually, out of a careful use of microlocal techniques, we prove that the built state fulfils, where defined, the so-called Hadamard condition; hence, it is perturbatively stable, in other words realizing the natural candidate with which one could study purely quantum phenomena such as the role of the back reaction of Hawking's radiation. From a geometrical point of view, we shall make a profitable use of a bulk-to-boundary reconstruction technique which carefully exploits the Killing horizon structure as well as the conformal asymptotic behaviour of the underlying background. From an analytical point of view, our tools will range from Hoermander's theorem on propagation of singularities, results on the role of passive states, and a detailed use of the recently discovered peeling behaviour of the solutions of the wave equation in Schwarzschild spacetime. (orig.)

  4. Synthesising and comparing electrical properties of NTC thermistors prepared from nano powder and solid state reaction

    International Nuclear Information System (INIS)

    Azad, N.; Ghanbari Shohany, B.; Hosseini, S. M.; Kompany, A.

    2011-01-01

    In this research, NTC thermistors with composition of NiMn 2-x Co x O 4 (x = 0.4, 0.8, 1.2, 1.6) prepared by two methods: solid state reaction and sol-gel (gel-combustion). The average particle size was monitored and structure of the calcinated powders have been investigated using x-ray diffraction and tunneling electron microscopy techniques. The average particle size was estimated to be about 65 nm with the cubic and cubic + tetragonal phases for low and high cobalt concentrations, respectively. The grain size of samples verifies with scanning electron microscopy images. Upon increasing the cobalt fraction, the grain size of samples increases from about 2μm to a few μm in size. The electrical properties of these thermistors depend on the grain size. The grain size of samples made from sol-gel is smaller than from solid state reaction under the same condition. For longer sintering time of the samples prepared by gel-combustion method, the grain size was increased then the electrical parameters of nano powder improved and we obtain better results than the samples prepared from solid state reaction.

  5. Microstructure, ferromagnetic and photoluminescence properties of ITO and Cr doped ITO nanoparticles using solid state reaction

    Energy Technology Data Exchange (ETDEWEB)

    Babu, S. Harinath [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Kaleemulla, S., E-mail: skaleemulla@gmail.com [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Rao, N. Madhusudhana [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India); Rao, G. Venugopal [Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603102, Tamilnadu (India); Krishnamoorthi, C. [Thin Films Laboratory, Centre for Crystal Growth, VIT University, Vellore-632014, Tamilnadu, India. (India)

    2016-11-01

    Indium-tin-oxide (ITO) (In{sub 0.95}Sn{sub 0.05}){sub 2}O{sub 3} and Cr doped indium-tin-oxide (In{sub 0.90}Sn{sub 0.05}Cr{sub 0.05}){sub 2}O{sub 3} nanoparticles were prepared using simple low cost solid state reaction method and characterized by different techniques to study their structural, optical and magnetic properties. Microstructures, surface morphology, crystallite size of the nanoparticles were studied using X-ray diffractometer (XRD), field emission scanning electron microscope (FE-SEM). From these methods it was found that the particles were about 45 nm. Chemical composition and valence states of the nanoparticles were studied using energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). From these techniques it was observed that the elements of indium, tin, chromium and oxygen were present in the system in appropriate ratios and they were in +3, +4, +3 and −2 oxidation states. Raman studies confirmed that the nanoparticle were free from unintentional impurities. Two broad emission peaks were observed at 330 nm and 460 nm when excited wavelength of 300 nm. Magnetic studies were carried out at 300 K and 100 K using vibrating sample magnetometer (VSM) and found that the ITO nanoparticles were ferromagnetic at 100 K and 300 K. Where-as the room temperature ferromagnetism completely disappeared in Cr doped ITO nanoparticles at 100 K and 300 K.

  6. Microstructure, ferromagnetic and photoluminescence properties of ITO and Cr doped ITO nanoparticles using solid state reaction

    Science.gov (United States)

    Babu, S. Harinath; Kaleemulla, S.; Rao, N. Madhusudhana; Rao, G. Venugopal; Krishnamoorthi, C.

    2016-11-01

    Indium-tin-oxide (ITO) (In0.95Sn0.05)2O3 and Cr doped indium-tin-oxide (In0.90Sn0.05Cr0.05)2O3 nanoparticles were prepared using simple low cost solid state reaction method and characterized by different techniques to study their structural, optical and magnetic properties. Microstructures, surface morphology, crystallite size of the nanoparticles were studied using X-ray diffractometer (XRD), field emission scanning electron microscope (FE-SEM). From these methods it was found that the particles were about 45 nm. Chemical composition and valence states of the nanoparticles were studied using energy dispersive analysis of X-rays (EDAX) and X-ray photoelectron spectroscopy (XPS). From these techniques it was observed that the elements of indium, tin, chromium and oxygen were present in the system in appropriate ratios and they were in +3, +4, +3 and -2 oxidation states. Raman studies confirmed that the nanoparticle were free from unintentional impurities. Two broad emission peaks were observed at 330 nm and 460 nm when excited wavelength of 300 nm. Magnetic studies were carried out at 300 K and 100 K using vibrating sample magnetometer (VSM) and found that the ITO nanoparticles were ferromagnetic at 100 K and 300 K. Where-as the room temperature ferromagnetism completely disappeared in Cr doped ITO nanoparticles at 100 K and 300 K.

  7. Magnetic properties of the charged Anderson-Brinkman-Morel state: Absence of Hc1

    International Nuclear Information System (INIS)

    Kita, T.

    1991-01-01

    Magnetic properties of the charged Anderson-Brinkman-Morel state are investigated theoretically as a special case of time-reversal-symmetry-breaking superconductivity. The magnetic field is expressed as a superposition of the one from the supercurrent j s (r) and that from the magnetic moment l(r) due to the internal motion of each Cooper pair. This procedure enables us to get rid of the paradox in zero external field that the moments are ordered (l=const) with no magnetic field nor supercurrent, leading to a natural conclusion that there is indeed a field due to l(r) which is screened almost completely by j s (r). If the system size is large enough compared with the penetration depth, the direction l(r) changes gradually toward the surface and the current j s (r) flows over the bulk. This means that the system is essentially nonuniform and forms a coreless vortex in zero external field. As for the magnetization process, the lattice of coreless vortices grows from the infinitesimal external field without H c1 (i.e., no Meissner state), which is subsequently followed by the first-order transition to the lattice with cores. Finally, the transition to the normal state occurs at H c2 enhanced over that of the conventional type-II superconductor due to the field l. An example of the magnetization curve is also given

  8. Magnetic properties of the charged Anderson-Brinkman-Morel state: Absence of Hc1

    International Nuclear Information System (INIS)

    Kita, T.

    1992-01-01

    Magnetic properties of the charged Anderson-Brinkman-Morel (ABM) state are investigated theoretically as a special case of time-reversal-symmetry-breaking (T-symmetry breaking) superconductivity, the possibility of which is discussed in heavy-fermion and high T c superconductors. In the ABM state there are two sources of current: The one from the supercurrent j s (r) and that from the moment l(r) due to the internal motion of Cooper pairs. In zero external field, the field h m (r) from l(r) is screened almost completely by j s (r), as expected, with l(r) changing gradually towards the surface and j s (r) flowing over the bulk. This means changing gradually towards the surface and j s (r) flowing over the bulk. This means that the system as a whole is a nonsingular vortex. As for the magnetization process, the lattice of nonsingular vortices grows from the infinitesimal external field without H c1 , subsequently followed by the first-order transition to the lattice with singular cores. Finally, the transition to the normal state occurs at H c2 which is enhanced over that of the conventional type-II superconductor due to the field l. (orig.)

  9. Physicochemical properties and thermal stability of quercetin hydrates in the solid state

    Energy Technology Data Exchange (ETDEWEB)

    Borghetti, G.S., E-mail: greicefarm@yahoo.com.br [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil); Carini, J.P. [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil); Honorato, S.B.; Ayala, A.P. [Departamento de Fisica, Universidade Federal do Ceara, Caixa Postal 6030, CEP 60.455-970, Fortaleza, CE (Brazil); Moreira, J.C.F. [Departamento de Bioquimica, Instituto de Ciencias Basicas da Saude, Universidade Federal do Rio Grande do Sul, Rua Ramiro Barcelos 2600, CEP 90035-003, Porto Alegre, RS (Brazil); Bassani, V.L. [Programa de Pos-Graduacao em Ciencias Farmaceuticas, Faculdade de Farmacia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, CEP 90.610-000, Porto Alegre, RS (Brazil)

    2012-07-10

    Highlights: Black-Right-Pointing-Pointer Quercetin raw materials may present different degree of hydration. Black-Right-Pointing-Pointer Thermal stability of quercetin in the solid state depends on its degree of hydration. Black-Right-Pointing-Pointer Quercetin dehydrate is thermodynamically more stable than the other crystal forms. - Abstract: In the present work three samples of quercetin raw materials (QCTa, QCTb and QCTc), purchased from different Brazilian suppliers, were characterized employing scanning electron microscopy, Raman spectroscopy, simultaneous thermogravimetry and infrared spectroscopy, differential scanning calorimetry, and variable temperature-powder X-ray diffraction, in order to know their physicochemical properties, specially the thermal stability in solid state. The results demonstrated that the raw materials of quercetin analyzed present distinct crystalline structures, ascribed to the different degree of hydration of their crystal lattice. The thermal stability of these quercetin raw materials in the solid state was highly dependent on their degree of hydration, where QCTa (quercetin dihydrate) was thermodynamically more stable than the other two samples.

  10. 77 FR 24571 - Blocking the Property and Suspending Entry Into the United States of Certain Persons With Respect...

    Science.gov (United States)

    2012-04-24

    ... Human Rights Abuses by the Governments of Iran and Syria via Information Technology By the authority... Property and Suspending Entry Into the United States of Certain Persons With Respect to Grave Human Rights... United States of America, hereby determine that the commission of serious human rights abuses against the...

  11. Equation of state and thermmodynamic properties of 1,1,1,2-tetrafluoroethane (refrigerant R134a)

    International Nuclear Information System (INIS)

    Vas'kov, E.T.

    1995-01-01

    An equation of state and tables of thermodynamic properties of R134a in the saturation state and in the one-phase region are obtained in the temperature interval 320-500 K at pressures ranging from 0.01 to 7.5 MPa

  12. Modeling of Dielectric Properties of Aqueous Salt Solutions with an Equation of State

    DEFF Research Database (Denmark)

    Maribo-Mogensen, Bjørn; Kontogeorgis, Georgios; Thomsen, Kaj

    2013-01-01

    The static permittivity is the most important physical property for thermodynamic models that account for the electrostatic interactions between ions. The measured static permittivity in mixtures containing electrolytes is reduced due to kinetic depolarization and reorientation of the dipoles...... methodology for obtaining the static permittivity over wide ranges of temperatures, pressures, and compositions for use within an equation of state for mixed solvents containing salts. The static permittivity is calculated from a new extension of the framework developed by Onsager, Kirkwood, and Fröhlich...... to associating mixtures. Wertheim’s association model as formulated in the statistical associating fluid theory is used to account for hydrogen-bonding molecules and ion–solvent association. Finally, we compare the Debye–Hückel Helmholtz energy obtained using an empirical model with the new physical model...

  13. THERMODYNAMIC PROPERTIES OF NONAQUEOUS SINGLE SALT SOLUTIONS USING THE Q-ELECTROLATTICE EQUATION OF STATE

    Directory of Open Access Journals (Sweden)

    A. Zuber

    2015-09-01

    Full Text Available AbstractThe correlation of thermodynamic properties of nonaqueous electrolyte solutions is relevant to design and operation of many chemical processes, as in fertilizer production and the pharmaceutical industry. In this work, the Q-electrolattice equation of state (EOS is used to model vapor pressure, mean ionic activity coefficient, osmotic coefficient, and liquid density of sixteen methanol and ten ethanol solutions containing single strong 1:1 and 2:1 salts. The Q-electrolattice comprises the lattice-based Mattedi-Tavares-Castier (MTC EOS, the Born term and the explicit MSA term. The model requires two adjustable parameters per ion, namely the ionic diameter and the solvent-ion interaction energy. Predictions of osmotic coefficient at 298.15 K and liquid density at different temperatures are also presented.

  14. Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.

    Science.gov (United States)

    Dral, Pavlo O; Wu, Xin; Spörkel, Lasse; Koslowski, Axel; Thiel, Walter

    2016-03-08

    The semiempirical orthogonalization-corrected OMx methods (OM1, OM2, and OM3) go beyond the standard MNDO model by including additional interactions in the electronic structure calculation. When augmented with empirical dispersion corrections, the resulting OMx-Dn approaches offer a fast and robust treatment of noncovalent interactions. Here we evaluate the performance of the OMx and OMx-Dn methods for a variety of ground-state properties using a large and diverse collection of benchmark sets from the literature, with a total of 13035 original and derived reference data. Extensive comparisons are made with the results from established semiempirical methods (MNDO, AM1, PM3, PM6, and PM7) that also use the NDDO (neglect of diatomic differential overlap) integral approximation. Statistical evaluations show that the OMx and OMx-Dn methods outperform the other methods for most of the benchmark sets.

  15. Jarosite added concrete along with fly ash: Properties and characteristics in fresh state

    Directory of Open Access Journals (Sweden)

    Priyansha Mehra

    2016-09-01

    Full Text Available This paper presents the results of different properties and characteristics of jarosite added concrete along with fly ash during its fresh state. Jarosite is an industrial by product from zinc manufacturing industry obtained through hydrometallurgical process from its sulphide ore. It has been tried to incorporate jarosite in concrete as sand replacement. Different concrete mixtures have been prepared for three water–cement ratios (0.40, 0.45 and 0.50 and 5 jarosite replacement levels (0, 5, 10, 15, 20 and 25%. Cement has been partially replaced (25% by fly ash in all the concrete mixtures. Density, workability and setting & hardening of fresh concrete has been evaluated and analyzed. Keeping the environmental suitability of concrete in mind, toxicity leaching characteristic potential test has been performed on raw jarosite and concrete samples.

  16. Study of the optical properties of aerosols in the Sao Paulo State by LIDAR Raman technique

    International Nuclear Information System (INIS)

    Costa, Renata Facundes da

    2010-01-01

    The investigation reported in this dissertation has been divided in two parts. The first part was made to carry out an independent calibration of a Raman LIDAR system for water vapor in the CLA installed using a methodology that was developed at Howard University, based on a careful analysis of the efficiency of the optical system components aimed at determining the efficiency and displaying the spectral response of the system. After this study, which led to a better understanding of the eld of instrumental system, the second part, presents a preliminary study of the optical properties of aerosols in the troposphere by evaluating parameters such as, for example, the vertical profiles of aerosol extinction, SR and LR, using a mobile Raman LIDAR system developed by Raymetrics LIDAR Systems, during campaigns conducted in some research institutes in the State of Sao Paulo. (author)

  17. Solid-state synthesis and electrical properties of polyaniline/Cu-montmorillonite nanocomposite

    International Nuclear Information System (INIS)

    Bekri-Abbes, Imene; Srasra, Ezzeddine

    2010-01-01

    In this paper, the solid-state synthesis of polyaniline/Cu-montmorillonite nanocomposite is reported. Mixture of anilinium chlorure and Cu exchanged montmorillonite was grinded at room temperature while we vary the molar rate of aniline to interlayer Cu 2+ cations (R) from 0.5 to 6. The properties of the hybrid compounds are characterized by X-ray diffraction, thermogravimetric analysis, SEM, FTIR and impedance spectroscopy. The results showed that the structure and the conductivity of PANI in hybrid materials depend on R. The ac conduction showed a regime of constant dc conductivity at low frequencies and a crossover to a frequency-dependent regime of the type A ω s at high frequencies.

  18. Superconducting and normal-state properties of the layered boride OsB2

    Science.gov (United States)

    Singh, Yogesh; Niazi, A.; Vannette, M. D.; Prozorov, R.; Johnston, D. C.

    2007-12-01

    OsB2 crystallizes in an orthorhombic structure (Pmmn) which contains alternate boron and osmium layers stacked along the c axis. The boron layers consist of puckered hexagons as opposed to the flat graphite-like boron layers in MgB2 . OsB2 is reported to become superconducting below 2.1K . We report results of the dynamic and static magnetic susceptibilities, electrical resistivity, Hall effect, heat capacity, and penetration depth measurements on arc-melted polycrystalline samples of OsB2 to characterize its superconducting and normal-state properties. These measurements confirmed that OsB2 becomes a bulk superconductor below Tc=2.1K . Our results indicate that OsB2 is a moderate-coupling type-II superconductor with an electron-phonon coupling constant λep≈0.4-0.5 , a small Ginzburg-Landau parameter κ˜1-2 , and an upper critical magnetic field Hc2(0.5K)˜420Oe for an unannealed sample and Hc2(1K)˜330Oe for an annealed sample. The temperature dependence of the superfluid density ns(T) for the unannealed sample is consistent with an s -wave superconductor with a slightly enhanced zero temperature gap Δ(0)=1.9kBTc and a zero temperature London penetration depth λ(0)=0.38(2)μm . The ns(T) data for the annealed sample show deviations from the predictions of the single-band s -wave BCS model. The magnetic, transport, and thermal properties in the normal state of isostructural and isoelectronic RuB2 , which is reported to become superconducting below 1.6K , are also reported.

  19. Spatiotemporal predictions of soil properties and states in variably saturated landscapes

    Science.gov (United States)

    Franz, Trenton E.; Loecke, Terrance D.; Burgin, Amy J.; Zhou, Yuzhen; Le, Tri; Moscicki, David

    2017-07-01

    Understanding greenhouse gas (GHG) fluxes from landscapes with variably saturated soil conditions is challenging given the highly dynamic nature of GHG fluxes in both space and time, dubbed hot spots, and hot moments. On one hand, our ability to directly monitor these processes is limited by sparse in situ and surface chamber observational networks. On the other hand, remote sensing approaches provide spatial data sets but are limited by infrequent imaging over time. We use a robust statistical framework to merge sparse sensor network observations with reconnaissance style hydrogeophysical mapping at a well-characterized site in Ohio. We find that combining time-lapse electromagnetic induction surveys with empirical orthogonal functions provides additional environmental covariates related to soil properties and states at high spatial resolutions ( 5 m). A cross-validation experiment using eight different spatial interpolation methods versus 120 in situ soil cores indicated an 30% reduction in root-mean-square error for soil properties (clay weight percent and total soil carbon weight percent) using hydrogeophysical derived environmental covariates with regression kriging. In addition, the hydrogeophysical derived environmental covariates were found to be good predictors of soil states (soil temperature, soil water content, and soil oxygen). The presented framework allows for temporal gap filling of individual sensor data sets as well as provides flexible geometric interpolation to complex areas/volumes. We anticipate that the framework, with its flexible temporal and spatial monitoring options, will be useful in designing future monitoring networks as well as support the next generation of hyper-resolution hydrologic and biogeochemical models.

  20. Combined, solid-state molecular property and gamma spectrometers for CBRNE detection

    Science.gov (United States)

    Rogers, Ben; Grate, Jay; Pearson, Brett; Gallagher, Neal; Wise, Barry; Whitten, Ralph; Adams, Jesse

    2013-05-01

    Nevada Nanotech Systems, Inc. (Nevada Nano) has developed a multi-sensor solution to Chemical, Biological, Radiological, Nuclear and Explosives (CBRNE) detection that combines the Molecular Property Spectrometer™ (MPS™)—a micro-electro-mechanical chip-based technology capable of measuring a variety of thermodynamic and electrostatic molecular properties of sampled vapors and particles—and a compact, high-resolution, solid-state gamma spectrometer module for identifying radioactive materials, including isotopes used in dirty bombs and nuclear weapons. By conducting multiple measurements, the system can provide a more complete characterization of an unknown sample, leading to a more accurate identification. Positive identifications of threats are communicated using an integrated wireless module. Currently, system development is focused on detection of commercial, military and improvised explosives, radioactive materials, and chemical threats. The system can be configured for a variety of CBRNE applications, including handheld wands and swab-type threat detectors requiring short sample times, and ultra-high sensitivity detectors in which longer sampling times are used. Here we provide an overview of the system design and operation and present results from preliminary testing.

  1. Electronic Properties of Corrugated Graphene, the Heisenberg Principle and Wormhole Geometry in Solid State

    International Nuclear Information System (INIS)

    Atanasov, Victor; Saxena, Avadh

    2010-12-01

    Adopting a purely two dimensional relativistic equation for graphene's carriers contradicts the Heisenberg uncertainty principle since it requires setting off-the-surface coordinate of a three-dimensional wavefunction to zero. Here we present a theoretical framework for describing graphene's massless relativistic carriers in accordance with this most fundamental of all quantum principles. A gradual confining procedure is used to restrict the dynamics onto a surface and in the process the embedding of this surface into the three dimensional world is accounted for. As a result an invariant geometric potential arises which scales linearly with the Mean curvature and shifts the Fermi energy of the material proportional to bending. Strain induced modification of the electronic properties or 'straintronics' is clearly an important field of study in graphene. This opens a venue to producing electronic devices, MEMS and NEMS where the electronic properties are controlled by geometric means and no additional alteration of graphene is necessary. The appearance of this geometric potential also provides us with clues as to how quantum dynamics looks like in the curved space-time of general relativity. In this context, we explore a two-dimensional cross-section of the wormhole geometry realized with graphene as a solid state thought experiment. (author)

  2. In the absence of private property rights: Political control and state corporatism during Putin's first tenure

    Directory of Open Access Journals (Sweden)

    Nadia Vanteeva

    2016-03-01

    Full Text Available This paper argues that Russia's choice of economic organization, which is based on the renewed role of the state, is a response to the existence of severe transaction costs, and subsequent mitigation of contractual incompleteness in the absence of a strong property rights system. Ill-defined property rights have historically hampered formation of business classes in Russia, reducing the necessity for appropriate market infrastructure. This also implied that if Russia's political and economic system had more than one competing hierarchy, the objective of the elites would not have entailed long-term economic growth, as gains from short-term wealth tunneling would have been much larger. As in the early 2000s Russian investment projects were generally defined by large sunk costs and long-term to maturity, under a weak legal system a new substitute governing mechanism, which took form of the state–private co-partnership system, has arisen in order to reduce hold-up costs leading to high levels of underinvestment.

  3. State University’s Institusional Repository as a Storage for Civitas Academia Intelectul Property

    Directory of Open Access Journals (Sweden)

    Dyah Puspita Srirahayu

    2018-01-01

    Full Text Available Many works - works the academic community that has not been published so that the intellectual property of an educational institution is not widely known by the general public. Institutional repository created and used to manage the results of these works that can be accessed by all people. This study aimed to describe the institutional repository of high perguruang country in Java Timursebagai container to the intellectual academic community views of content, the software used unit that houses, and ratings on Webometrik. This study uses a quantitative approach with descriptive methods. The population used in this study are all the institutional repository of public universities in East Java, which already are online. The sampling technique is the total sampling. The results of this study found that 50% of state universities in East Java has an IR that can be accessed via the internet, 100% of existing IR content is scientific output, the software used various existing GDL, DSpace, Eprints and others, and IR state universities in Java East 66.7% was ranked in webometrik

  4. Solid-State Synthesis and Effect of Temperature on Optical Properties of CuO Nanoparticles

    Institute of Scientific and Technical Information of China (English)

    C.C.Vidyasagar; Y.Arthoba Naik; T.G.Venkatesha; R.Viswanatha

    2012-01-01

    Modulation of band energies through size control offers new ways to control photoresponse and photoconversion efficiency of the solar cell. The P-type semiconductor of copper oxide is an important functional material used for photovoltaic cells. Cu O is attractive as a selective solar absorber since it has high solar absorbance and a low thermal emittance. The present work describes the synthesis and characterization of semiconducting Cu O nanoparticles via one-step, solid-state reaction in the presence of Polyethylene glycol400 as size controlling agent for the preparation of Cu O nanoparticles at different temperatures. Solid-state mechanochemical processing, which is not only a physical size reduction process in conventional milling but also a chemical reaction, is mechanically activated at the nanoscale during grinding. The present method is a simple and efficient method of preparing nanoparticles with high yield at low cost. The structural and chemical composition of the nanoparticles were analyzed by X-ray diffraction, field emission scanning electron microscopy and energy-dispersive spectrometer, respectively. Optical properties and band gap of Cu O nanoparticles were studied by UV-Vis spectroscopy. These results showed that the band gap energy decreased with increase of annealing temperature, which can be attributed to the improvement in grain size of the samples.

  5. Optical properties of ultraviolet-light soaked states in polyfluorene thin films

    Energy Technology Data Exchange (ETDEWEB)

    Asada, Kohei [Department of Physics and Electronics, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Takahashi, Hideaki [Department of Physics and Electronics, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Naito, Hiroyoshi [Department of Physics and Electronics, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan)]. E-mail: naito@pe.osakafu-u.ac.jp

    2006-06-19

    Optical properties of ultraviolet (UV)-light soaked states in poly(9,9-dioctylfluorene) (F8) have been studied. F8 thin films, synthesized by Suzuki and Yamamoto coupling reactions, were irradiated by a He-Cd laser ({lambda} = 325 nm) and the UV-light-soaked states were characterized by photoluminescence (PL), optical absorption, Fourier transform infrared absorption and electron spectroscopy for chemical analysis measurements. A photo-induced decrease in PL intensity and PL color change were found in UV-light-soaked F8 thin films. It is shown that the decrease in PL intensity is due to the increase in oxygen-related PL quenching centers and that the PL color change is due to the appearance of 2.2-eV emission bands whose origin is identified to be an exciplex formed between an oxygen-related defect and its nearest F8 polymer chain. The oxygen-related defect, which forms the exciplex, can result from a keto defect (fluorenone) because of the similarity in PL spectra between UV-light-soaked F8 and fluorene-fluorenone copolymers.

  6. Optical properties of ultraviolet-light soaked states in polyfluorene thin films

    International Nuclear Information System (INIS)

    Asada, Kohei; Takahashi, Hideaki; Naito, Hiroyoshi

    2006-01-01

    Optical properties of ultraviolet (UV)-light soaked states in poly(9,9-dioctylfluorene) (F8) have been studied. F8 thin films, synthesized by Suzuki and Yamamoto coupling reactions, were irradiated by a He-Cd laser (λ = 325 nm) and the UV-light-soaked states were characterized by photoluminescence (PL), optical absorption, Fourier transform infrared absorption and electron spectroscopy for chemical analysis measurements. A photo-induced decrease in PL intensity and PL color change were found in UV-light-soaked F8 thin films. It is shown that the decrease in PL intensity is due to the increase in oxygen-related PL quenching centers and that the PL color change is due to the appearance of 2.2-eV emission bands whose origin is identified to be an exciplex formed between an oxygen-related defect and its nearest F8 polymer chain. The oxygen-related defect, which forms the exciplex, can result from a keto defect (fluorenone) because of the similarity in PL spectra between UV-light-soaked F8 and fluorene-fluorenone copolymers

  7. Electronic and interface state density properties of Cu/n-Si MIS-type diode

    Energy Technology Data Exchange (ETDEWEB)

    Yakuphanoglu, Fahrettin [Physics Department, Firat University, Elazig 23169 (Turkey)]. E-mail: fyhanoglu@firat.edu.tr

    2007-05-01

    Electronic and interface-state density properties of the Cu/n-Si diode were investigated by current-voltage and capacitance-voltage (C-V) analyses. The electronic parameters such as barrier height, ideality factor and series resistance of the diode were determined by performing different plots. The barrier height, ideality factor and series resistance values of the diode were found to be 0.69 eV, 5.31 and 7.63 k{omega}, respectively. The obtained ideality factor confirms that the Cu/n-Si device has a metal-insulator-semiconductor (MIS) configuration. The conductance mechanism of the Cu/n-Si diode is in agreement with typical of hopping conduction in polycrystalline and amorphous materials. The interface state density of the diode was found to vary from 1.45x10{sup 13} (eV{sup -1} cm{sup 2}) at E {sub C}-0.45 eV to 0.88x10{sup 13} (eV{sup -1} cm{sup 2}) at E {sub C}-0.66 eV.

  8. Molecular dynamics studies of transport properties and equation of state of supercritical fluids

    Science.gov (United States)

    Nwobi, Obika C.

    Many chemical propulsion systems operate with one or more of the reactants above the critical point in order to enhance their performance. Most of the computational fluid dynamics (CFD) methods used to predict these flows require accurate information on the transport properties and equation of state at these supercritical conditions. This work involves the determination of transport coefficients and equation of state of supercritical fluids by equilibrium molecular dynamics (MD) simulations on parallel computers using the Green-Kubo formulae and the virial equation of state, respectively. MD involves the solution of equations of motion of a system of molecules that interact with each other through an intermolecular potential. Provided that an accurate potential can be found for the system of interest, MD can be used regardless of the phase and thermodynamic conditions of the substances involved. The MD program uses the effective Lennard-Jones potential, with system sizes of 1000-1200 molecules and, simulations of 2,000,000 time-steps for computing transport coefficients and 200,000 time-steps for pressures. The computer code also uses linked cell lists for efficient sorting of molecules, periodic boundary conditions, and a modified velocity Verlet algorithm for particle displacement. Particle decomposition is used for distributing the molecules to different processors of a parallel computer. Simulations have been carried out on pure argon, nitrogen, oxygen and ethylene at various supercritical conditions, with self-diffusion coefficients, shear viscosity coefficients, thermal conductivity coefficients and pressures computed for most of the conditions. Results compare well with experimental and the National Institute of Standards and Technology (NIST) values. The results show that the number of molecules and the potential cut-off radius have no significant effect on the computed coefficients, while long-time integration is necessary for accurate determination of the

  9. Impact of calcification state on the inherent optical properties of Emiliania huxleyi coccoliths and coccolithophores

    Science.gov (United States)

    Bi, Lei; Yang, Ping

    2015-04-01

    Understanding the inherent optical properties (IOPs) of coccoliths and coccolithophores is important in oceanic radiative transfer simulations and remote sensing implementations. In this study, the invariant imbedding T-matrix method (II-TM) is employed to investigate the IOPs of coccoliths and coccolithophores. The Emiliania huxleyi (Ehux) coccolith and coccolithophore models are built based on observed biometric parameters including the eccentricity, the number of slits, and the rim width of detached coccoliths. The calcification state that specifies the amount of calcium of a single coccolith is critical in the determination of the size-volume/mass relationship (note, the volume/mass of coccoltihs at different calcification states are different although the diameters are the same). The present results show that the calcification state, namely, under-calcification, normal-calcification, or over-calcification, significantly influences the backscattering cross section and the phase matrix. Furthermore, the linear depolarization ratio of the light scattered by coccoliths is sensitive to the degree of calcification, and provides a potentially valuable parameter for interpreting oceanic remote sensing data. The phase function of an ensemble of randomly oriented coccolithophores has a similar pattern to that of individual coccoliths, but the forward scattering is dominant in the coccolithophores due to the large geometric cross sections. The linear depolarization ratio associated with coccolithophores is found to be larger than that for coccoliths as polarization is more sensitive to multiple scattering than the phase function. The simulated coccolithophore phase matrix numerical results are compared with laboratory measurements. For scattering angles larger than 100°, an increase of the phase function with respect to the scattering angle is confirmed based on the present coccolithophore model while the spherical approximation fails.

  10. Vapour-liquid equilibrium properties for two- and three-dimensional Lennard-Jones fluids from equations of state

    International Nuclear Information System (INIS)

    Mulero, A.; Cuadros, F; Faundez, C.A.

    1999-01-01

    Vapour-liquid equilibrium properties for both three- and two-dimensional Lennard-Jones fluids were obtained using simple cubic-in-density equations of state proposed by the authors. Results were compared with those obtained by other workers from computer simulations and also with results given by other more complex semi-theoretical or semi-empirical equations of state. In the three-dimensional case good agreement is found for all properties and all temperatures. In the two-dimensional case only the coexistence densities were compared, producing good agreement for low temperatures only. The present work is the first to give numerical data for the vapour-liquid equilibrium properties of Lennard-Jones fluids calculated from equations of state. Copyright (1999) CSIRO Australia

  11. Black carbon aerosol mixing state, organic aerosols and aerosol optical properties over the United Kingdom

    Science.gov (United States)

    McMeeking, G. R.; Morgan, W. T.; Flynn, M.; Highwood, E. J.; Turnbull, K.; Haywood, J.; Coe, H.

    2011-09-01

    Black carbon (BC) aerosols absorb sunlight thereby leading to a positive radiative forcing and a warming of climate and can also impact human health through their impact on the respiratory system. The state of mixing of BC with other aerosol species, particularly the degree of internal/external mixing, has been highlighted as a major uncertainty in assessing its radiative forcing and hence its climate impact, but few in situ observations of mixing state exist. We present airborne single particle soot photometer (SP2) measurements of refractory BC (rBC) mass concentrations and mixing state coupled with aerosol composition and optical properties measured in urban plumes and regional pollution over the United Kingdom. All data were obtained using instrumentation flown on the UK's BAe-146-301 large Atmospheric Research Aircraft (ARA) operated by the Facility for Airborne Atmospheric Measurements (FAAM). We measured sub-micron aerosol composition using an aerosol mass spectrometer (AMS) and used positive matrix factorization to separate hydrocarbon-like (HOA) and oxygenated organic aerosols (OOA). We found a higher number fraction of thickly coated rBC particles in air masses with large OOA relative to HOA, higher ozone-to-nitrogen oxides (NOx) ratios and large concentrations of total sub-micron aerosol mass relative to rBC mass concentrations. The more ozone- and OOA-rich air masses were associated with transport from continental Europe, while plumes from UK cities had higher HOA and NOx and fewer thickly coated rBC particles. We did not observe any significant change in the rBC mass absorption efficiency calculated from rBC mass and light absorption coefficients measured by a particle soot absorption photometer despite observing significant changes in aerosol composition and rBC mixing state. The contributions of light scattering and absorption to total extinction (quantified by the single scattering albedo; SSA) did change for different air masses, with lower SSA

  12. Black carbon aerosol mixing state, organic aerosols and aerosol optical properties over the UK

    Science.gov (United States)

    McMeeking, G. R.; Morgan, W. T.; Flynn, M.; Highwood, E. J.; Turnbull, K.; Haywood, J.; Coe, H.

    2011-05-01

    Black carbon (BC) aerosols absorb sunlight thereby leading to a positive radiative forcing and a warming of climate and can also impact human health through their impact on the respiratory system. The state of mixing of BC with other aerosol species, particularly the degree of internal/external mixing, has been highlighted as a major uncertainty in assessing its radiative forcing and hence its climate impact, but few in situ observations of mixing state exist. We present airborne single particle soot photometer (SP2) measurements of refractory BC (rBC) mass concentrations and mixing state coupled with aerosol composition and optical properties measured in urban plumes and regional pollution over the UK. All data were obtained using instrumentation flown on the UK's BAe-146-301 large Atmospheric Research Aircraft (ARA) operated by the Facility for Airborne Atmospheric Measurements (FAAM). We measured sub-micron aerosol composition using an aerosol mass spectrometer (AMS) and used positive matrix factorization to separate hydrocarbon-like (HOA) and oxygenated organic aerosols (OOA). We found a higher number fraction of thickly coated rBC particles in air masses with large OOA relative to HOA, higher ozone-to-nitrogen oxides (NOx) ratios and large concentrations of total sub-micron aerosol mass relative to rBC mass concentrations. The more ozone- and OOA-rich air masses were associated with transport from continental Europe, while plumes from UK cities had higher HOA and NOx and fewer thickly coated rBC particles. We did not observe any significant change in the rBC mass absorption efficiency calculated from rBC mass and light absorption coefficients measured by a particle soot absorption photometer despite observing significant changes in aerosol composition and rBC mixing state. The contributions of light scattering and absorption to total extinction (quantified by the single scattering albedo; SSA) did change for different air masses, with lower SSA observed in

  13. Black carbon aerosol mixing state, organic aerosols and aerosol optical properties over the United Kingdom

    Directory of Open Access Journals (Sweden)

    G. R. McMeeking

    2011-09-01

    Full Text Available Black carbon (BC aerosols absorb sunlight thereby leading to a positive radiative forcing and a warming of climate and can also impact human health through their impact on the respiratory system. The state of mixing of BC with other aerosol species, particularly the degree of internal/external mixing, has been highlighted as a major uncertainty in assessing its radiative forcing and hence its climate impact, but few in situ observations of mixing state exist. We present airborne single particle soot photometer (SP2 measurements of refractory BC (rBC mass concentrations and mixing state coupled with aerosol composition and optical properties measured in urban plumes and regional pollution over the United Kingdom. All data were obtained using instrumentation flown on the UK's BAe-146-301 large Atmospheric Research Aircraft (ARA operated by the Facility for Airborne Atmospheric Measurements (FAAM. We measured sub-micron aerosol composition using an aerosol mass spectrometer (AMS and used positive matrix factorization to separate hydrocarbon-like (HOA and oxygenated organic aerosols (OOA. We found a higher number fraction of thickly coated rBC particles in air masses with large OOA relative to HOA, higher ozone-to-nitrogen oxides (NOx ratios and large concentrations of total sub-micron aerosol mass relative to rBC mass concentrations. The more ozone- and OOA-rich air masses were associated with transport from continental Europe, while plumes from UK cities had higher HOA and NOx and fewer thickly coated rBC particles. We did not observe any significant change in the rBC mass absorption efficiency calculated from rBC mass and light absorption coefficients measured by a particle soot absorption photometer despite observing significant changes in aerosol composition and rBC mixing state. The contributions of light scattering and absorption to total extinction (quantified by the single scattering albedo; SSA did change for

  14. Structure-Property Relationships of Solid State Additive Manufactured Aluminum Alloy 2219 and Inconel 625

    Science.gov (United States)

    Rivera Almeyda, Oscar G.

    In this investigation, the processing-structure-property relations are correlated for solid state additively manufactured (SSAM) Inconel 625 (IN 625) and a SSAM aluminum alloy 2219 (AA2219). This is the first research of these materials processed by a new SSAM method called additive friction stir (AFS). The AFS process results in a refined grain structure by extruding solid rod through a rotating tool generating heat and severe plastic deformation. In the case of the AFS IN625, the IN625 alloy is known for exhibiting oxidation resistance and temperature mechanical stability, including strength and ductility. This study is the first to investigate the beneficial grain refinement and densification produced by AFS in IN625 that results in advantageous mechanical properties (YS, UTS, epsilonf) at both quasi-static and high strain rate. Electron Backscatter Diffraction (EBSD) observed dynamic recrystallization and grain refinement during the layer deposition in the AFS specimens, where the results identified fine equiaxed grain structures formed by dynamic recrystallization (DRX) with even finer grain structures forming at the layer interfaces. The EBSD quantified grains as fine as 0.27 microns in these interface regions while the average grain size was approximately 1 micron. Additionally, this is the first study to report on the strain rate dependence of AFS IN625 through quasi-static (QS) (0.001/s) and high strain rate (HR) (1500/s) tensile experiments using a servo hydraulic frame and a direct tension-Kolsky bar, respectively, which captured both yield and ultimate tensile strengths increasing as strain rate increased. Fractography performed on specimens showed a ductile fracture surface on both QS, and HR. Alternatively, the other AFS material system investigated in this study, AA2219, is mostly used for aerospace applications, specifically for rocket fuel tanks. EBSD was performed in the cross-section of the AA2219, also exhibiting DRX with equiaxed microstructure

  15. Available states and available space: static properties that predict self-diffusivity of confined fluids

    International Nuclear Information System (INIS)

    Goel, Gaurav; Krekelberg, William P; Pond, Mark J; Truskett, Thomas M; Mittal, Jeetain; Shen, Vincent K; Errington, Jeffrey R

    2009-01-01

    Although classical density functional theory provides reliable predictions for the static properties of simple equilibrium fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence that knowledge of how confinement modifies static behavior can aid in forecasting dynamics. Specifically, recent molecular simulation studies have shown that the relationship between excess entropy and self-diffusivity of a bulk equilibrium fluid changes only modestly when the fluid is isothermally confined, indicating that knowledge of the former might allow semi-quantitative predictions of the latter. Do other static measures, such as those that characterize free or available volume, also strongly correlate with single-particle dynamics of confined fluids? Here, we investigate this question for both the single-component hard-sphere fluid and hard-sphere mixtures. Specifically, we use molecular simulations and fundamental measure theory to study these systems at approximately 10 3 equilibrium state points. We examine three different confining geometries (slit pore, square channel, and cylindrical pore) and the effects of particle packing fraction and particle–boundary interactions. Although average density fails to predict some key qualitative trends for the self-diffusivity of confined fluids, we provide strong empirical evidence that a new generalized measure of available volume for inhomogeneous fluids correlates excellently with self-diffusivity across a wide parameter space in these systems, approximately independently of the degree of confinement. An important consequence, which we demonstrate here, is that density functional theory predictions of this static property can be used together with knowledge of bulk fluid behavior to semi-quantitatively estimate the self-diffusion coefficient of confined fluids under equilibrium conditions

  16. Physical properties of lead free solders in liquid and solid state

    Energy Technology Data Exchange (ETDEWEB)

    Mhiaoui, Souad

    2007-04-17

    The European legislation prohibits the use of lead containing solders in Europe. However, lead free solders have a higher melting point (typical 20%) and their mechanical characteristics are worse. Additional problems are aging and adhesion of the solder on the electronic circuits. Thus, research activities must focus on the optimization of the properties of Sn-Ag-Cu based lead free solders chosen by the industry. Two main objectives are treated in this work. In the center of the first one is the study of curious hysteresis effects of metallic cadmium-antimony alloys after thermal cycles by measuring electronic transport phenomena (thermoelectric power and electrical resistivity). The second objective, within the framework of ''cotutelle'' between the universities of Metz and of Chemnitz and supported by COST531, is to study more specifically lead free solders. A welding must well conduct electricity and well conduct and dissipate heat. In Metz, we determined the electrical conductivity, the thermoelectric power and the thermal conductivity of various lead free solders (Sn-Ag-Cu, Sn-Cu, Sn-Ag, Sn-Sb) as well in the liquid as well in the solid state. The results have been compared to classical lead-tin (Pb-Sn) solders. In Chemnitz we measured the surface tension, the interfacial tension and the density of lead free solders. We also measured the viscosity of these solders without and with additives, in particular nickel. These properties were related to the industrial problems of wettability and spreadability. Lastly, we solidified alloys under various conditions. We observed undercooling. We developed a technique of mixture of nanocrystalline powder with lead free solders ''to sow'' the liquid bath in order to obtain ''different'' solids which were examined using optical and electron microscopy. (orig.)

  17. Local CC2 response method for triplet states based on Laplace transform: excitation energies and first-order properties.

    Science.gov (United States)

    Freundorfer, Katrin; Kats, Daniel; Korona, Tatiana; Schütz, Martin

    2010-12-28

    A new multistate local CC2 response method for calculating excitation energies and first-order properties of excited triplet states in extended molecular systems is presented. The Laplace transform technique is employed to partition the left/right local CC2 eigenvalue problems as well as the linear equations determining the Lagrange multipliers needed for the properties. The doubles part in the equations can then be inverted on-the-fly and only effective equations for the singles part must be solved iteratively. The local approximation presented here is adaptive and state-specific. The density-fitting method is utilized to approximate the electron-repulsion integrals. The accuracy of the new method is tested by comparison to canonical reference values for a set of 12 test molecules and 62 excited triplet states. As an illustrative application example, the lowest four triplet states of 3-(5-(5-(4-(bis(4-(hexyloxy)phenyl)amino)phenyl)thiophene-2-yl)thiophene-2-yl)-2-cyanoacrylic acid, an organic sensitizer for solar-cell applications, are computed in the present work. No triplet charge-transfer states are detected among these states. This situation contrasts with the singlet states of this molecule, where the lowest singlet state has been recently found to correspond to an excited state with a pronounced charge-transfer character having a large transition strength.

  18. Response to letter “Electron correlation and relativity of the 5f electrons in the U−Zr alloy system”

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Wei [Materials Science Program, University of Wisconsin-Madison, Madison, WI 53706 (United States); Marianetti, Chris A. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027 (United States); Morgan, Dane, E-mail: ddmorgan@wisc.edu [Materials Science Program, University of Wisconsin-Madison, Madison, WI 53706 (United States); Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706 (United States)

    2016-08-01

    In the Letter [Söderlind et al., J. Nucl. Mater. 444, 356 (2014)], Söderlind et al. state their interpretation that 1) we view electron correlation to be strong and including spin-orbit coupling (SOC) to be necessary for U metal and U−Zr alloy in our article [Xiong et al., J. Nucl. Mater. 443, 331 (2013)]. Further, they argue that 2) density functional theory (DFT) without adding the Hubbard U potential, especially when solved using all electron methods, already models U and U−Zr accurately, and 3) adding the Hubbard U potential to DFT in DFT + U models U and U−Zr worse than DFT according to volume, bulk modulus, and magnetic moments predicted from their calculations of the γU phase of elemental U metal. With respect to Söderlind et al.’s interpretation 1), we clarify that our opinions are that U and U−Zr are not strongly, but weakly to moderately correlated and that including SOC is beneficial but not necessary for modeling most ground state properties of U and U−Zr. With respect to Söderlind et al.’s argument 2) we demonstrate that previously neglected and very recent experimental data suggest that DFT in Söderlind's full-potential linear muffin-tin orbital calculations [Söderlind, Phys. Rev. B 66, 085113 (2002)] in fact models the bulk modulus and elastic constants of αU with errors considerably larger than other related elements, e.g., most transition metals. With respect to Söderlind et al.’s argument 3) we argue that they have inappropriately focused on just one phase (the BCC γU phase of U metal), neglecting the other phases which represent the majority of our evidence, and made overgeneralizations based on results at only one U{sub eff} value of 2 eV. We therefore maintain our original conclusion that the accuracy of DFT for modeling U and U−Zr has room for improvement and DFT + U can be of value for this purpose on at least some ground state properties.

  19. The ground state properties of In(Ga)As/GaAs low strain quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Pieczarka, Maciej, E-mail: maciej.pieczarka@pwr.edu.pl; Sęk, Grzegorz

    2016-08-15

    We present theoretical studies on the confined states in low-strain In(Ga)As quantum dots (QDs). The 8-band k·p model together with the continuum elasticity theory and piezoelectric fields were employed to calculate the potential and confined electron and hole eigenstates. We focused on low-indium-content QDs with distinct in-plane asymmetry, which are naturally formed in the low strain regime of the Stranski-Krastanow growth mode. It has been found that the naturally thick wetting layer together with piezoelectric potential affect the total confinement potential to such extent that the hole eigenstates can get the spatial in-plane orientation orthogonal to the main axis of the dot elongation. This can influence both, qualitatively and quantitatively, many of the electronic and optical properties, as e.g. the polarization selection rules for the optical transition or the transitions oscillator strength. Eventually, importance of the degree of the shape asymmetry or the dots’ size, and differences between the low-strain (low-In-content) QDs and pure InAs dots formed in high strain conditions are discussed.

  20. Steady-State Thermal Properties of Rectangular Straw-Bales (RSB for Building

    Directory of Open Access Journals (Sweden)

    Leonardo Conti

    2016-10-01

    Full Text Available Straw is an inevitable product of cereal production and is available in huge quantities in the world. In order to use straw-bales as a building material, the characteristic values of the thermal performances should be determined. To not lose the benefits of the cheapness and sustainability of the material, the characteristics must be determined with simple and inexpensive means and procedures. This research aims to implement tools and methods focused at the determination of the thermal properties of straw-bales. For this study, the guidelines dictated by ASTM and ISO were followed. A measurement system consisting of a Metering Chamber (MC was realized. The MC was placed inside a Climate Chamber (CC. During the test, a known quantity of energy is introduced inside MC. When the steady-state is reached, all the energy put into MC passes through its walls in CC, where it is absorbed by the air-conditioner. A series of thermopiles detect the temperature of the surfaces of the measurement system and of the specimen. Determining the amount of energy transmitted by the various parts of MC and by the specimen, it is possible to apply Fourier’s law to calculate the thermal conductivity of the specimen.

  1. Psychomertic Properties Spielberger\\'s State-Trait Anger Expression Inventory-2 Among of Iranian Students

    Directory of Open Access Journals (Sweden)

    Mohammad Khodayari-Fard

    2010-04-01

    Full Text Available Objective: Since Spielberger's State–Trait Anger Expression Inventory–2 (STAXI–2 has enormous potential for research and therapy, the current study aimed to investigate psychometric properties and normalization of STAXI–2 among Iranian college students. Materials & Methods: Descriptive–survey research method, developing an instrument one, was used. 1140 students (Mean age=21.92, SD=2.89 were drawn from Tehran University via cluster sampling method. 554 (48.6% and 586 (51.4% participants were females and males respectively. Among participants 1080 were singles. The participants were asked to complete two instruments. One of these instruments STAXI–2 and other was one of Multi–dimensional Anger Inventory, Over controlled Hostility Scale, Oxford Happiness inventory, Emotional and NEO– Five Factor Inventory. Results: There were not observed significant differences between females and males participants in most sub–scales of STAXI–2. Also data analysis demonstrated that STAXI–2 and its subscales had significant relationship with parallel instruments. Moreover, the results showed significant mean differences between two groups including high and low emotion intelligence groups and all subscales of STAXI–2. Factor analysis also extracted as many as factors in any part of STAXI–2 in comparison with original version. Based on T scores, separate norms tables were reported. Conclusion: STAXI–2 has an appropriate validity and reliability to measure anger in Iranian young population. Therefore, STAXI–2 as a state and trait assessment device can be used in clinical sets and research

  2. Ground-state and spectral properties of an asymmetric Hubbard ladder

    Science.gov (United States)

    Abdelwahab, Anas; Jeckelmann, Eric; Hohenadler, Martin

    2015-04-01

    We investigate a ladder system with two inequivalent legs, namely, a Hubbard chain and a one-dimensional electron gas. Analytical approximations, the density-matrix renormalization group method, and continuous-time quantum Monte Carlo simulations are used to determine ground-state properties, gaps, and spectral functions of this system at half-filling. Evidence for the existence of four different phases as a function of the Hubbard interaction and the rung hopping is presented. First, a Luttinger liquid exists at very weak interchain hopping. Second, a Kondo-Mott insulator with spin and charge gaps induced by an effective rung exchange coupling is found at moderate interchain hopping or strong Hubbard interaction. Third, a spin-gapped paramagnetic Mott insulator with incommensurate excitations and pairing of doped charges is observed at intermediate values of the rung hopping and the interaction. Fourth, the usual correlated band insulator is recovered for large rung hopping. We show that the wave numbers of the lowest single-particle excitations are different in each insulating phase. In particular, the three gapped phases exhibit markedly different spectral functions. We discuss the relevance of asymmetric two-leg ladder systems as models for atomic wires deposited on a substrate.

  3. Differential properties of Aspergillus niger tannase produced under solid-state and submerged fermentations.

    Science.gov (United States)

    Renovato, Jaqueline; Gutiérrez-Sánchez, Gerardo; Rodríguez-Durán, Luis V; Bergman, Carl; Rodríguez, Raúl; Aguilar, Cristóbal Noe

    2011-09-01

    Significant differences on structure, stability, and catalytic properties of tannase were found when this enzyme was produced under solid-state and submerged fermentations (SSF and SmF) by Aspergillus niger. The specific activity was 5.5 times higher on SSF than in SmF. Significant differences in isoelectric points of tannases were found. The pH optima for both types of enzyme was found at 6 and the pH stability of SSF and SmF tannase were at 6 and 5-8, respectively. The optimal temperature range was from 50 to 60 °C for SmF tannase and 60 °C for SSF tannase, and both enzyme types showed tolerance to high temperatures (60-70 °C). The SSF tannase showed a major specificity for methyl gallate substrate while SmF tannase for tannic acid. All metal ions tested, had an activity inhibition from 30-46% on SSF tannase. SDS-PAGE analysis as well as gel localization studies of both SSF and SmF purified tannases showed a single band with a molecular weight of 102 and 105 kDa, respectively. Different levels of glycosylation were found among SSF and SmF purified tannases. This is the first report about structural differences among tannase produced under SSF and SmF and this study provides basis for explanation of the stability and catalytic differences observed previously for this two tannase types.

  4. Physical Properties and Evolutionary States of EA-type Eclipsing Binaries Observed by LAMOST

    Science.gov (United States)

    Qian, S.-B.; Zhang, J.; He, J.-J.; Zhu, L.-Y.; Zhao, E.-G.; Shi, X.-D.; Zhou, X.; Han, Z.-T.

    2018-03-01

    About 3196 EA-type binaries (EAs) were observed by LAMOST by 2017 June 16 and their spectral types were derived. Meanwhile, the stellar atmospheric parameters of 2020 EAs were determined. In this paper, those EAs are cataloged and their physical properties and evolutionary states are investigated. The period distribution of EAs suggests that the period limit of tidal locking for the close binaries is about 6 days. It is found that the metallicity of EAs is higher than that of EW-type binaries (EWs), indicating that EAs are generally younger than EWs and they are the progenitors of EWs. The metallicities of long-period EWs (0.4values of Log (g) are usually smaller than those of EAs. These support the evolutionary process that EAs evolve into long-period EWs through the combination of angular momentum loss (AML) via magnetic braking and case A mass transfer. For short-period EWs, their metallicities are lower than those of EAs, while their gravitational accelerations are higher. These reveal that they may be formed from cool short-period EAs through AML via magnetic braking with little mass transfer. For some EWs with high metallicities, they may be contaminated by material from the evolution of unseen neutron stars and black holes or they have third bodies that may help them to form rapidly through a short timescale of pre-contact evolution. The present investigation suggests that the modern EW populations may have formed through a combination of these mechanisms.

  5. Three-body unitary transformations, three-body forces, and trinucleon bound state properties

    International Nuclear Information System (INIS)

    Haftel, M.I.

    1976-01-01

    A three-body unitary transformation method for the study of three-body forces is presented. Starting with a three-body Hamiltonian with two-body forces, unitary transformations are introduced to generate Hamiltonians that have both two- and three-body forces. For cases of physical interest, the two-body forces of the altered Hamiltonians are phase equivalent (for two-body scattering) to the original and the three-body force vanishes when any interparticle distance is large. Specific examples are presented. Applications for studying the possible role of three-body forces in accounting for trinucleon bound state properties are examined. Calculations of the 3 He and 3 H charge form factors and Coulomb energy difference with hyperspherical radial transformations and with conventional N-N potentials are performed. The form factor calculations demonstrate how the proposed method can help obtain improved agreement with experiment by the introduction of appropriate three-body forces. Calculations of the Coulomb energy difference confirm previous estimates concerning charge symmetry breaking in the N-N interaction

  6. 25 CFR 1.4 - State and local regulation of the use of Indian property.

    Science.gov (United States)

    2010-04-01

    ... otherwise governing, regulating, or controlling the use or development of any real or personal property... property. In determining whether, or to what extent, such laws, ordinances, codes, resolutions, rules or...

  7. A review on melt-state viscoelastic properties of polymer nanocomposites

    CSIR Research Space (South Africa)

    Hyoung, JC

    2011-10-01

    Full Text Available The mixing of polymer matrices with nanoparticles to form composite materials has been an area of great research interest. The mechanical and rheological properties of such composite materials are directly related to the properties of the matrix...

  8. Quantum properties of a superposition of squeezed displaced two-mode vacuum and single-photon states

    International Nuclear Information System (INIS)

    El-Orany, Faisal A A; Obada, A-S F; M Asker, Zafer; Perina, J

    2009-01-01

    In this paper, we study some quantum properties of a superposition of displaced squeezed two-mode vacuum and single-photon states, such as the second-order correlation function, the Cauchy-Schwarz inequality, quadrature squeezing, quasiprobability distribution functions and purity. These type of states include two mechanisms, namely interference in phase space and entanglement. We show that these states can exhibit sub-Poissonian statistics, squeezing and deviate from the classical Cauchy-Schwarz inequality. Moreover, the amount of entanglement in the system can be increased by increasing the squeezing mechanism. In the framework of the quasiprobability distribution functions, we show that the single-mode state can tend to the thermal state based on the correlation mechanism. A generation scheme for such states is given.

  9. Electrode property of single-walled carbon nanotubes in all-solid-state lithium ion battery using polymer electrolyte

    International Nuclear Information System (INIS)

    Sakamoto, Y.; Ishii, Y.; Kawasaki, S.

    2016-01-01

    Electrode properties of single-walled carbon nanotubes (SWCNTs) in an all-solid-state lithium ion battery were investigated using poly-ethylene oxide (PEO) solid electrolyte. Charge-discharge curves of SWCNTs in the solid electrolyte cell were successfully observed. It was found that PEO electrolyte decomposes on the surface of SWCNTs.

  10. Electrode property of single-walled carbon nanotubes in all-solid-state lithium ion battery using polymer electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Sakamoto, Y.; Ishii, Y.; Kawasaki, S., E-mail: kawasaki.shinji@nitech.ac.jp [Nagoya Institute of Technology, Gokiso, Showa, Nagoya, Aichi (Japan)

    2016-07-06

    Electrode properties of single-walled carbon nanotubes (SWCNTs) in an all-solid-state lithium ion battery were investigated using poly-ethylene oxide (PEO) solid electrolyte. Charge-discharge curves of SWCNTs in the solid electrolyte cell were successfully observed. It was found that PEO electrolyte decomposes on the surface of SWCNTs.

  11. When does State Interference with Property (now Amount to Expropriation? An Analysis of the Agri SA Court's State Acquisition Requirement (Part I

    Directory of Open Access Journals (Sweden)

    Ernst Jacobus Marais

    2015-04-01

    Full Text Available Section 25 of the Constitution provides two ways in which the state may interfere with property rights, namely deprivation (section 25(1 and expropriation (section 25(2. As only the latter requires compensation, there is an incentive for property holders to label any infringement upon their property as expropriation in the hope of being compensated for their losses. It is therefore essential to have a principled distinction between these two forms of state interference, especially given the danger that uncertainty in this regard can hold for legitimate land reform initiatives, which often entail severe limitations on property. In the Agri SA case the Constitutional Court recently revisited this distinction and held that the distinguishing feature of expropriation is that it entails state acquisition of property. Two aspects of this judgment are worthy of consideration. Firstly, the centrality of acquisition makes it necessary to clarify its meaning and role in our law. Secondly, the Court's effect-centred test to establish whether acquisition took place appears incapable of coherently categorising property infringements that fall within the grey area between deprivation and expropriation. To address these two questions this article is divided into two parts. Part I investigates the meaning and role of state acquisition in South African law. Pre-constitutional expropriation law reveals that expropriation is an original method of acquisition of ownership and that the objects of expropriation include ownership, limited real rights, and certain personal rights, which correspond to the meaning attributed to this requirement in Agri SA. However, post-constitutional judgments diverge from pre-constitutional law regarding the role of state acquisition, where it was merely regarded as a general hallmark of expropriation. After Agri SA state acquisition is (now the "key feature" that distinguishes expropriation from deprivation. A brief analysis of

  12. Links between soil properties and steady-state solute transport through cultivated topsoil at the field scale

    DEFF Research Database (Denmark)

    Koestel, J. K.; Nørgaard, Trine; Loung, N. M.

    2013-01-01

    It is known that solute transport through soil is heterogeneous at all spatial scales. However, little data are available to allow quantification of these heterogeneities at the field scale or larger. In this study, we investigated the spatial patterns of soil properties, hydrologic state variables......, and tracer breakthrough curves (BTCs) at the field scale for the inert solute transport under a steady-state irrigation rate which produced near-saturated conditions. Sixty-five undisturbed soil columns approximately 20 cm in height and diameter were sampled from the loamy topsoil of an agricultural field...... to larger water saturation and the activation of larger macropores. Our study provides further evidence that it should be possible to estimate solute transport properties from soil properties such as soil texture or bulk density. We also demonstrated that estimation approaches established for the column...

  13. Study of some electronics properties of new superconductor Sr2VO3FeAs in ground state

    Directory of Open Access Journals (Sweden)

    M Majidiyan

    2010-09-01

    Full Text Available In this paper, some electronics properties of new superconductor Sr2VO3FeAs, such as density of states, band structure, density of electron cloud and bound lengths in the ground state have been calculated. According to N(Ef in ground state CV/T value has been estimated. The calculations were performed in the framework of density functional theory (DFT, using the full potential linearized augmented plane wave (FP-LAPW method with the general gradient approximation (GGA.

  14. State University’s Institusional Repository as a Storage for Civitas Academia Intelectul Property

    Directory of Open Access Journals (Sweden)

    Dyah Puspitasari Srirahayu

    2015-04-01

    Full Text Available Many works - works the academic community that has not been published so that the intellectual property  of  an  educational  institution  is  not  widely  known  by  the  general  public.  Institutional repository  created  and  used  to  manage  the  results  of  these  works  that  can  be  accessed  by  all people.  This  study  aimed  to  describe  the  institutional  repository  of  high  perguruang  country  in Java  Timursebagai  container  to  the  intellectual  academic  community  views  of  content,  the software  used  unit  that  houses,  and  ratings  on  Webometrik.  This  study  uses  a  quantitative approach  with  descriptive  methods.  The  population  used  in  this  study  are  all  the  institutional repository of public universities in East Java, which already are online. The sampling technique is the total sampling. The results of this study found that 50% of state universities in East Java has an  IR that can be accessed via the internet, 100% of existing  IR content is scientific output, the software used various existing GDL, DSpace, Eprints and others, and IR state universities in Java East 66.7% was ranked in webometrik.

  15. New naphthalene polyimide with unusual molar absorption coefficient and excited state properties: Synthesis, photophysics and electrochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Ozser, Mustafa E. [Girne American University, Faculty of Engineering and Architecture, Department of Industrial Engineering, Girne, North Cyprus (Cyprus); Yucekan, Ilke; Bodapati, Jagadeesh B. [Eastern Mediterranean University, Faculty of Arts and Sciences, Department of Chemistry, Famagusta, North Cyprus (Cyprus); Icil, Huriye, E-mail: huriye.icil@emu.edu.tr [Eastern Mediterranean University, Faculty of Arts and Sciences, Department of Chemistry, Famagusta, North Cyprus (Cyprus)

    2013-11-15

    A high molecular weight 1,4,5,8-naphthalene polyimide (ENPI) by one-step polycondensation mechanism and for comparison its monomeric diimide (ENDI) were synthesized; the photophysical and electrochemical properties were studied in detail for ENPI. Monomer has shown unusual insolubility so that the characterization proven to be difficult, whereas ENPI has shown better solubility. The molecular weight data obtained by GPC for the polymer were M{sub n}=8240 and M{sub w}=34,000 g mol{sup −1} respectively with a polydispersity of 4.13. The polyimide exhibited outstandingly high molar absorption coefficients as 599,000, 1,021,000, and 972,700 M{sup −1} cm{sup −1}, which is first time reported in literature for the characteristic 0–2, 0–1, and 0–0 electronic transitions, respectively. ENPI showed concentration dependent and red shifted excimer emission in 1,1,2,2-tetrachloroethane (TCE). The polymer has undergone multielectron reductions in CHCl{sub 3} solution below 100 mV s{sup −1} scan rates which merged into two reversible one-electron reduction peaks at higher scan rates. In solid-state, similar scan rate dependent reduction peaks were noticed. The LUMO, HOMO and optical band gap values obtained for ENPI were −3.73, −6.91, and 3.18 eV respectively. ENDI polymer with striking features has great potential as new sensitizer for efficient dye sensitized organic cells. Highlights: • A high molecular weight naphthalene polyimide was synthesized (M{sub w}=34,000 g mol{sup −1}). • The oligoether polyimide exhibited outstanding molar absorptivity (972,700 M{sup −1} cm{sup −1}). • A red shifted excimer emission has been observed. • The polymer has undergone multielectron reductions.

  16. Neutron star properties and the relativistic nuclear equation of state of many-baryon matter

    International Nuclear Information System (INIS)

    Weber, F.; Weigel, M.K.

    1989-01-01

    A relativistic model of baryons interacting via the exchange of σ-, ω-, π- and ρ-mesons (scalar-vector-isovector (SVI) theory) is used to describe the properties of both dense and superdense matter. For the theoretical frame, we used the temperature-dependent Green's function formalism. The equation of state (EOS) is calculated for nuclear as well as neutron matter in the Hartree (H) and Hartree-Fock (HF) approximation. The existence of phase transitions has been investigated. The isotherms of pressure as a function of density show for nuclear matter a critical temperature of about T c HF =16.6 MeV. (As in the usual scalar-vector (SV) theory, the phase transition is absent for neutron matter. A phase transition of both many-baryon systems in the high-pressure and high-density region, which has been found within the SV many-baryon theory, appears in the SVI theory too. The calculated maximum stable masses of neutron stars depend on 1. the underlying parameter set and/or 2. on the chosen approximation (i.e., H, HF; SV-, SVI theory, respectively). Hartree calculations lead to a mass stability limit of M max H ≤2.87 M sun (M max H ≤2.44 M sun when hyperons are taken into account). For the HF calculations we obtained M max HF ≤3.00 M sun (M max HF ≤2.85 M sun ). The corresponding maximum radii are (same notation as above) R H ≤13.2 km (R H ≤11.8 km), R HF ≤14.0 km (R HF ≤13.94 km).) The influence of the approximations, parameter sets and hyperons on the neutron star's moment of inertia is exhibited. (orig.)

  17. Quantum Correlation Properties in Composite Parity-Conserved Matrix Product States

    Science.gov (United States)

    Zhu, Jing-Min

    2016-09-01

    We give a new thought for constructing long-range quantum correlation in quantum many-body systems. Our proposed composite parity-conserved matrix product state has long-range quantum correlation only for two spin blocks where their spin-block length larger than 1 compared to any subsystem only having short-range quantum correlation, and we investigate quantum correlation properties of two spin blocks varying with environment parameter and spacing spin number. We also find that the geometry quantum discords of two nearest-neighbor spin blocks and two next-nearest-neighbor spin blocks become smaller and for other conditions the geometry quantum discord becomes larger than that in any subcomponent, i.e., the increase or the production of the long-range quantum correlation is at the cost of reducing the short-range quantum correlation compared to the corresponding classical correlation and total correlation having no any characteristic of regulation. For nearest-neighbor and next-nearest-neighbor all the correlations take their maximal values at the same points, while for other conditions no whether for spacing same spin number or for different spacing spin numbers all the correlations taking their maximal values are respectively at different points which are very close. We believe that our work is helpful to comprehensively and deeply understand the organization and structure of quantum correlation especially for long-range quantum correlation of quantum many-body systems; and further helpful for the classification, the depiction and the measure of quantum correlation of quantum many-body systems.

  18. Competing pseudogap and impurity effects on the normal-state specific heat properties of cuprate superconductors

    Science.gov (United States)

    Dzhumanov, S.; Karimboev, E. X.

    2014-07-01

    In this paper, we show that the pseudogap in the excitation spectra of high-Tc cuprates together with the impurity phase and charge inhomogeneity plays key roles in determining the essential features of their anomalous specific heat properties observed above Tc. We consider the doped cuprate superconductor as a multi-carrier model system (which consists of intrinsic and extrinsic polarons and pre-formed bosonic Cooper pairs) and study the competing pseudogap and impurity effects on the normal-state electronic specific heat of high-Tc cuprates taking into account charge inhomogeneities. We argue that unconventional electron-phonon interactions are responsible for the precursor Cooper pairing in the polaronic band below a mean-field temperature T∗ and the existence of a pseudogap above Tc in the cuprates. The electronic specific heat Ce(T) of doped cuprates below T∗ is calculated taking into account three contributions coming from the excited components of Cooper pairs, the ideal Bose-gas of incoherent Cooper pairs and the unpaired carriers in the impurity band. Above T∗, two contributions to Ce(T) coming from the unpaired intrinsic and extrinsic polarons are calculated within the two-component degenerate Fermi-gas model. By comparing our results with the experimental Ce(T) data obtained for La- and Y-based cuprates, we find that the observed behaviors of Ce(T) (below and above T∗) are similar to the calculated results for Ce(T) and the BCS-type jumps of Ce(T) at T∗ may be depressed by the impurity effects and may become more or less pronounced BCS-type anomalies in Ce(T) .

  19. Profiles of Reservoir Properties of Oil-Bearing Plays for Selected Petroleum Provinces in the United States

    Science.gov (United States)

    Freeman, P.A.; Attanasi, E.D.

    2015-11-05

    Profiles of reservoir properties of oil-bearing plays for selected petroleum provinces in the United States were developed to characterize the database to be used for a potential assessment by the U.S. Geological Survey (USGS) of oil that would be technically recoverable by the application of enhanced oil recovery methods using injection of carbon dioxide (CO2-EOR). The USGS assessment methodology may require reservoir-level data for the purposes of screening conventional oil reservoirs and projecting CO2-EOR performance in terms of the incremental recoverable oil. The information used in this report is based on reservoir properties from the “Significant Oil and Gas Fields of the United States Database” prepared by Nehring Associates, Inc. (2012). As described by Nehring Associates, Inc., the database “covers all producing provinces (basins) in the United States except the Appalachian Basin and the Cincinnati Arch.”

  20. Role of band states and trap states in the electrical properties of organic semiconductors: Hopping versus mobility edge model

    KAUST Repository

    Mehraeen, Shafigh

    2013-05-01

    We compare the merits of a hopping model and a mobility edge model in the description of the effect of charge-carrier concentration on the electrical conductivity, carrier mobility, and Fermi energy of organic semiconductors. We consider the case of a composite electronic density of states (DOS) that consists of a superposition of a Gaussian DOS and an exponential DOS. Using kinetic Monte Carlo simulations, we apply the two models in order to interpret the recent experimental data reported for n-doped C60 films. While both models are capable of reproducing the experimental data very well and yield qualitatively similar characteristic parameters for the density of states, some discrepancies are found at the quantitative level. © 2013 American Physical Society.

  1. Property.

    Science.gov (United States)

    Piele, Philip K.

    Numerous cases in this year's chapter dealt with the same topics of previous years--contracts and bids for building construction, and detachment and annexation of a portion of a school district. The courts continued to attribute board discretionary authority to school boards in school property matters. Intergovernmental disputes over ownership or…

  2. Structural, electronic and magnetic properties of Pr-based filled skutterudites: A first principle study

    Science.gov (United States)

    Yadav, Priya; Nautiyal, Shashank; Verma, U. P.

    2018-04-01

    Ternary skutterudites materials exhibit good electronic properties due to the unpaired d- and f- electrons of the transition and rare-earth metals, respectively. In this communication, we have performed the structural optimization of Pr-based filled skutterudite (PrCo4P12) for the first time and obtained the electronic band structure, density of states and magnetic moments by using the full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). Our obtained magnetic moment of PrCo4P12 is ˜ 1.8 µB in which main contribution is due to Pr atom. Behavior of this material is metallic and it is most stable in body centered cubic (BCC) structure.

  3. Test-retest reliability of fMRI-based graph theoretical properties during working memory, emotion processing, and resting state.

    Science.gov (United States)

    Cao, Hengyi; Plichta, Michael M; Schäfer, Axel; Haddad, Leila; Grimm, Oliver; Schneider, Michael; Esslinger, Christine; Kirsch, Peter; Meyer-Lindenberg, Andreas; Tost, Heike

    2014-01-01

    The investigation of the brain connectome with functional magnetic resonance imaging (fMRI) and graph theory analyses has recently gained much popularity, but little is known about the robustness of these properties, in particular those derived from active fMRI tasks. Here, we studied the test-retest reliability of brain graphs calculated from 26 healthy participants with three established fMRI experiments (n-back working memory, emotional face-matching, resting state) and two parcellation schemes for node definition (AAL atlas, functional atlas proposed by Power et al.). We compared the intra-class correlation coefficients (ICCs) of five different data processing strategies and demonstrated a superior reliability of task-regression methods with condition-specific regressors. The between-task comparison revealed significantly higher ICCs for resting state relative to the active tasks, and a superiority of the n-back task relative to the face-matching task for global and local network properties. While the mean ICCs were typically lower for the active tasks, overall fair to good reliabilities were detected for global and local connectivity properties, and for the n-back task with both atlases, smallworldness. For all three tasks and atlases, low mean ICCs were seen for the local network properties. However, node-specific good reliabilities were detected for node degree in regions known to be critical for the challenged functions (resting-state: default-mode network nodes, n-back: fronto-parietal nodes, face-matching: limbic nodes). Between-atlas comparison demonstrated significantly higher reliabilities for the functional parcellations for global and local network properties. Our findings can inform the choice of processing strategies, brain atlases and outcome properties for fMRI studies using active tasks, graph theory methods, and within-subject designs, in particular future pharmaco-fMRI studies. © 2013 Elsevier Inc. All rights reserved.

  4. Equation of state and transport properties of uranium and plutonium carbides in the liquid region

    International Nuclear Information System (INIS)

    Sheth, A.; Leibowitz, L.

    1975-09-01

    By the use of available low-temperature data for various thermophysical and transport properties for uranium and plutonium carbides, values above the melting point were estimated. Sets of recommended values have been prepared for the compounds UC, PuC, and (U,Pu)C. The properties that have been evaluated are density, heat capacity, enthalpy, vapor pressure, thermal conductivity, viscosity, and emissivity

  5. A group property for the coherent state representation of fermionic squeezing operators

    Science.gov (United States)

    Fan, Hong-yi; Li, Chao

    2004-06-01

    For the two-mode fermionic squeezing operators we find that their coherent state projection operator representation make up a loyal representation, which is homomorphic to an SO(4) group, though the fermionic coherent states are not mutual orthogonal. Thus the result of successively operating with many fermionic squeezing operators on a state can be equivalent to a single operation. The fermionic squeezing operators are mappings of orthogonal transformations in Grassmann number pseudo-classical space in the fermionic coherent state representation.

  6. A group property for the coherent state representation of fermionic squeezing operators

    International Nuclear Information System (INIS)

    Fan Hongyi; Li Chao

    2004-01-01

    For the two-mode fermionic squeezing operators we find that their coherent state projection operator representation make up a loyal representation, which is homomorphic to an SO(4) group, though the fermionic coherent states are not mutual orthogonal. Thus the result of successively operating with many fermionic squeezing operators on a state can be equivalent to a single operation. The fermionic squeezing operators are mappings of orthogonal transformations in Grassmann number pseudo-classical space in the fermionic coherent state representation

  7. Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Prima, Eka Cahya [Advanced Functional Material Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); International Program on Science Education, Universitas Pendidikan Indonesia (Indonesia); Yuliarto, Brian; Suyatman, E-mail: yatman@tf.itb.ac.id [Advanced Functional Material Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia); Dipojono, Hermawan Kresno [Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung (Indonesia)

    2015-09-30

    The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. The results prove that the electronic properties represented by dyes’ LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of −1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell.

  8. Electronic structure and optical properties of triangular GaAs/AlGaAs quantum dots: Exciton and impurity states

    Energy Technology Data Exchange (ETDEWEB)

    Tiutiunnyk, A. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia); Department of Physics, Donbass State Engineering Academy, Shkadinova 72, 84313 Kramatorsk (Ukraine); Akimov, V. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia); Department of Physics, Donbass State Engineering Academy, Shkadinova 72, 84313 Kramatorsk (Ukraine); Universidad de Medellín, Carrera 87 No 30-65 Medellín (Colombia); Tulupenko, V. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia); Department of Physics, Donbass State Engineering Academy, Shkadinova 72, 84313 Kramatorsk (Ukraine); Mora-Ramos, M.E. [Centro de Investigación en Ciencias, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209 Cuernavaca, Morelos (Mexico); Kasapoglu, E. [Cumhuriyet University, Physics Department, 58140 Sivas (Turkey); Ungan, F. [Cumhuriyet University, Faculty of Technology, Deparment of Optical Engineering, 58140 Sivas (Turkey); Sökmen, I. [Department of Physics, Dokuz Eylül University, 35160 Buca, İzmir (Turkey); and others

    2016-03-01

    Electronic structure and optical properties in equilateral triangular GaAs/Al{sub 0.3}Ga{sub 0.7}As quantum dots are studied extensively. The effects of donor and acceptor impurity atoms positioned in the orthocenter of the triangle, as well as of the external DC electric field are taken into account. Binding energies of the impurity, exciton energies, interband photoluminescence peak positions as well as linear and non-linear optical properties in THz range caused by transitions between excitonic states are calculated and discussed.

  9. Electronic structure and optical properties of triangular GaAs/AlGaAs quantum dots: Exciton and impurity states

    International Nuclear Information System (INIS)

    Tiutiunnyk, A.; Akimov, V.; Tulupenko, V.; Mora-Ramos, M.E.; Kasapoglu, E.; Ungan, F.; Sökmen, I.

    2016-01-01

    Electronic structure and optical properties in equilateral triangular GaAs/Al_0_._3Ga_0_._7As quantum dots are studied extensively. The effects of donor and acceptor impurity atoms positioned in the orthocenter of the triangle, as well as of the external DC electric field are taken into account. Binding energies of the impurity, exciton energies, interband photoluminescence peak positions as well as linear and non-linear optical properties in THz range caused by transitions between excitonic states are calculated and discussed.

  10. Did Cuts in State Aid during the Great Recession Lead to Changes in Local Property Taxes?

    Science.gov (United States)

    Chakrabarti, Rajashri; Livingston, Max; Roy, Joydeep

    2014-01-01

    The Great Recession led to marked declines in state revenue. In this paper we investigate whether (and how) local school districts modified their funding and taxing decisions in response to state aid declines in the post-recession period. Our results reveal school districts responded to state aid cuts in the post-recession period by countering…

  11. Luminescence properties of dysprosium doped calcium magnesium silicate phosphor by solid state reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, Ishwar Prasad, E-mail: ishwarprasad1986@gmail.com [School of Studies in Physics & Astrophysics, Pt. Ravishankar Shukla University, Raipur, C.G. 492010 (India); Chandrakar, Priya; Baghel, R.N.; Bisen, D.P.; Brahme, Nameeta [School of Studies in Physics & Astrophysics, Pt. Ravishankar Shukla University, Raipur, C.G. 492010 (India); Tamrakar, Raunak Kumar [Department of Applied Physics, Bhilai Institute of Technology, Durg, C.G. 491001 (India)

    2015-11-15

    Dysprosium doped calcium magnesium silicate (CaMgSi{sub 2}O{sub 6}:Dy{sup 3+}) white light emitting phosphor was synthesized by solid state reaction process. The crystal structure of sintered phosphor was monoclinic structure with space group C2/c. Chemical composition of the sintered CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was confirmed by EDX. The prepared CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was excited from 352 nm and their corresponding emission spectra were recorded at blue (470 nm), yellow (570 nm) and red (675 nm) line due to the {sup 4}F{sub 9/2} → {sup 6}H{sub 15/2}, {sup 4}F{sub 9/2} → {sup 6}H{sub 13/2}, {sup 4}F{sub 9/2} → {sup 6}H{sub 11/2} transitions of Dy{sup 3+} ions. The combination of these three emissions constituted as white light confirmed by the Commission Internationale de L'Eclairage (CIE) chromatic coordinate diagram. The possible mechanism of the white light emitting long lasting CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor was also investigated. Investigation on afterglow property show that phosphor held fast and slow decay process. The peak of mechanoluminescence (ML) intensity increases linearly with increasing impact velocity of the moving piston. Thus the present investigation indicates that the local piezoelectricity-induced electron bombardment model is responsible to produce ML in prepared CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor. - Highlights: • The crystal structure of CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor is consistent with standard monoclinic structure. • CIE coordinates of CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor is suitable as white light emitting phosphor. • The local piezoelectricity-induced electron bombardment model is responsible to produce ML in CaMgSi{sub 2}O{sub 6}:Dy{sup 3+} phosphor.

  12. Implementation of a state-to-state analytical framework for the calculation of expansion tube flow properties

    Science.gov (United States)

    James, C. M.; Gildfind, D. E.; Lewis, S. W.; Morgan, R. G.; Zander, F.

    2018-03-01

    Expansion tubes are an important type of test facility for the study of planetary entry flow-fields, being the only type of impulse facility capable of simulating the aerothermodynamics of superorbital planetary entry conditions from 10 to 20 km/s. However, the complex flow processes involved in expansion tube operation make it difficult to fully characterise flow conditions, with two-dimensional full facility computational fluid dynamics simulations often requiring tens or hundreds of thousands of computational hours to complete. In an attempt to simplify this problem and provide a rapid flow condition prediction tool, this paper presents a validated and comprehensive analytical framework for the simulation of an expansion tube facility. It identifies central flow processes and models them from state to state through the facility using established compressible and isentropic flow relations, and equilibrium and frozen chemistry. How the model simulates each section of an expansion tube is discussed, as well as how the model can be used to simulate situations where flow conditions diverge from ideal theory. The model is then validated against experimental data from the X2 expansion tube at the University of Queensland.

  13. Ambient black carbon particle hygroscopic properties controlled by mixing state and composition

    Directory of Open Access Journals (Sweden)

    D. Liu

    2013-02-01

    Full Text Available The wet removal of black carbon aerosol (BC in the atmosphere is a crucial factor in determining its atmospheric lifetime and thereby the vertical and horizontal distributions, dispersion on local and regional scales, and the direct, semi-direct and indirect radiative forcing effects. The in-cloud scavenging and wet deposition rate of freshly emitted hydrophobic BC will be increased on acquisition of more-hydrophilic components by coagulation or coating processes. The lifetime of BC is still subject to considerable uncertainty for most of the model inputs, which is largely due to the insufficient constraints on the BC hydrophobic-to-hydrophilic conversion process from observational field data. This study was conducted at a site along UK North Norfolk coastline, where the BC particles were transported from different regions within Western Europe. A hygroscopicity tandem differential mobility analyser (HTDMA was coupled with a single particle soot photometer (SP2 to measure the hygroscopic properties of BC particles and associated mixing state in real time. In addition, a Soot Particle AMS (SP-AMS measured the chemical compositions of additional material associated with BC particles. The ensemble of BC particles persistently contained a less-hygroscopic mode at a growth factor (gf of around 1.05 at 90% RH (dry diameter 163 nm. Importantly, a more-hygroscopic mode of BC particles was observed throughout the experiment, the gf of these BC particles extended up to ~1.4–1.6 with the minimum between this and the less hygroscopic mode at a gf ~1.25, or equivalent effective hygroscopicity parameter κ ~0.1. The gf of BC particles (gfBC was highly influenced by the composition of associated soluble material: increases of gfBC were associated with secondary inorganic components, and these increases were more pronounced when ammonium nitrate was in the BC particles; however the presence of secondary organic matter suppressed

  14. Method for the determination of the equation of state of advanced fuels based on the properties of normal fluids

    International Nuclear Information System (INIS)

    Hecht, M.J.; Catton, I.; Kastenberg, W.E.

    1976-12-01

    An equation of state based on the properties of normal fluids, the law of rectilinear averages, and the second law of thermodynamics can be derived for advanced LMFBR fuels on the basis of the vapor pressure, enthalpy of vaporization, change in heat capacity upon vaporization, and liquid density at the melting point. The method consists of estimating an equation of state by means of the law of rectilinear averages and the second law of thermodynamics, integrating by means of the second law until an instability is reached, and then extrapolating by means of a self-consistent estimation of the enthalpy of vaporization

  15. System analytical studies on ground state properties of neutron-rich nuclides in the nuclear mass region A ≅ 100

    International Nuclear Information System (INIS)

    Toenhardt, M.

    1987-01-01

    In this thesis only nuclei with even proton and even neutron number have been studied. This constraint allows to use a for the description of excitation spectra very successful model, the interacting boson model (IBM) and to combine this with the density functional method. From the obtained Hamiltonian via an energy-density functional an effective potential is constructed which can be applied in the framework of the density-functional method in order to calculate ground state energies and densities. From the density distributions radii and values for the static deformation are determined. As further ground state property the separation energy for two neutrons is studied. (orig./HSI) [de

  16. Gas energy meter for inferential determination of thermophysical properties of a gas mixture at multiple states of the gas

    Science.gov (United States)

    Morrow, Thomas B [San Antonio, TX; Kelner, Eric [San Antonio, TX; Owen, Thomas E [Helotes, TX

    2008-07-08

    A gas energy meter that acquires the data and performs the processing for an inferential determination of one or more gas properties, such as heating value, molecular weight, or density. The meter has a sensor module that acquires temperature, pressure, CO2, and speed of sound data. Data is acquired at two different states of the gas, which eliminates the need to determine the concentration of nitrogen in the gas. A processing module receives this data and uses it to perform a "two-state" inferential algorithm.

  17. Determination of basic state parameters and characterization of optical, dielectric and fluorescence properties of calcium boro lactate (CaBL)

    International Nuclear Information System (INIS)

    Vijayalakshmi, A.; Balraj, V.

    2016-01-01

    This paper describes the calculation of basic solid state parameters like penn gap, plasma energy, polarizability and fermi energy for calcium boro lactate single crystal. calcium boro lactate crystals were developed by solution growth method. Single crystal diffraction studies carried out and calculated basic solid state criterion for the CaBL compound. optical nature of these compound explained by using UV-Visible spectrum. Electro-optic behaviour of the crystal explained by dielectric studies. Light emitting properties explained by fluorescence studies. (author)

  18. Compact All Solid State Oceanic Inherent Optical Property Sensor, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Light propagation in the sea and the consequent remote sensing signals seen by aircraft and spacecraft is fundamentally governed by the inherent optical properties...

  19. Computation of Ground-State Properties in Molecular Systems: Back-Propagation with Auxiliary-Field Quantum Monte Carlo.

    Science.gov (United States)

    Motta, Mario; Zhang, Shiwei

    2017-11-14

    We address the computation of ground-state properties of chemical systems and realistic materials within the auxiliary-field quantum Monte Carlo method. The phase constraint to control the Fermion phase problem requires the random walks in Slater determinant space to be open-ended with branching. This in turn makes it necessary to use back-propagation (BP) to compute averages and correlation functions of operators that do not commute with the Hamiltonian. Several BP schemes are investigated, and their optimization with respect to the phaseless constraint is considered. We propose a modified BP method for the computation of observables in electronic systems, discuss its numerical stability and computational complexity, and assess its performance by computing ground-state properties in several molecular systems, including small organic molecules.

  20. A Numerical Comparison of Soave Redlich Kwong and Peng-Robinson Equations of State for Predicting Hydrocarbons’ Thermodynamic Properties

    Directory of Open Access Journals (Sweden)

    B. Hussain

    2018-02-01

    Full Text Available Mixture phase equilibrium and thermodynamic properties have a significant role in industry. Numerical analysis of flash calculation generates an appropriate solution for the problem. In this research, a comparison of Soave Redlich Kwong (SRK and Peng-Robinson (PR equations of state predicting the thermodynamic properties of a mixture of hydrocarbon and related compounds in a critical region at phase equilibrium is performed. By applying mathematical modeling of both equations of states, the behavior of binary gases mixtures is monitored. The numerical analysis of isothermal flash calculations is applied to study the pressure behavior with volume and mole fraction. The approach used in this research shows considerable convergence with experimental results available in the literature.

  1. Properties of Griffin-Hill-Wheeler spaces - 2. one-parameters and two-conjugate parameter families of generator states

    International Nuclear Information System (INIS)

    Passos, E.J.V. de; Toledo Piza, A.F.R. de.

    The properties of the subspaces of the many-body Hilbert space which are associated with the use of the Generator Coordinate Method (GCM) in connection with one parameter, and with two-conjugate parameter families of generator states are examined in detail. It is shown that natural orthonormal base vectors in each case are immediately related to Peierls-Voccoz and Peierls-Thouless projections respectively. Through the formal consideration of a canonical transformation to collective, P and Q, and intrinsic degrees of freedom, the properties of the GCM subspaces with respect to the kinematical separation of these degrees of freedom are discussed in detail. An application is made, using the ideas developed in this paper, a) to translation; b) to illustrate the qualitative understanting of the content of existing GCM calculations of giant ressonances in light nuclei and c) to the definition of appropriate asymptotic states in current GCM descriptions of scattering [pt

  2. LIBERAL CONTRACTS, RELATIONAL CONTRACTS AND COMMON PROPERTY: AFRICA AND THE UNITED STATES

    OpenAIRE

    Tabachnick, David

    1998-01-01

    The core thesis is that Western neoclassical economics and law (particularly Anglo-American) have a peculiar cultural history that biases Western-trained economists and lawyers against common property systems like those found among Africans and American Indians. This Western cultural bias is expressed through the recurrent focus on individuals as atomistic and independent of each other in contract and property law, as well as in economic theory. The bias derives in part from the historical su...

  3. Preparation and characterization of nano fluids: Influence of variables on its stability, agglomeration state and physical properties

    International Nuclear Information System (INIS)

    Mondragon, R.; Julia, J. E.; Barba, A.; Jarque, J. C.

    2014-01-01

    In recent years it has spread the use of suspensions containing nano metre sized particles, known as nano fluids, in many applications owing the good properties having nanocrystalline materials. One of the main advantages of using nano fluids is its high stability, which causes the particles do not settle over long periods of time. This stability depends on the preparation conditions such as pH, the presence of electrolytes or the solids content. Moreover, there are a number of physical properties which are influenced and altered by agglomeration of the particles. This article will analyze all the variables that affect agglomeration of the particles, nano fluids stability and properties from which it can obtain information on the state of suspension. It then lays out the different methods of dispersion of nanoparticles and their effectiveness. (Author)

  4. Correlation properties of entangled multiphoton states and Bernstein’s paradox

    International Nuclear Information System (INIS)

    Chirkin, A. S.; Belyaeva, O. V.; Belinsky, A. V.

    2013-01-01

    A normally ordered characteristic function (NOCF) of Bose operators is calculated for a number of discrete-variable entangled states (Greenberger-Horne-Zeilinger (GHZ) and Werner (W) qubit states and a cluster state). It is shown that such NOCFs contain visual information on two types of correlations: pseudoclassical and quantum correlations. The latter manifest themselves in the interference terms of the NOCFs and lead to quantum paradoxes, whereas the pseudoclassical correlations of photons and their cumulants satisfy the relations for classical random variables. Three- and four-qubit states are analyzed in detail. An implementation of an analog of Bernstein’s paradox on discrete quantum variables is discussed. A measure of quantumness of an entangled state is introduced that is not related to the entropy approach. It is established that the maximum of the degree of quantumness substantiates the numerical values of the coefficients in multiqubit vector states derived from intuitive considerations.

  5. Correlation properties of entangled multiphoton states and Bernstein's paradox

    Energy Technology Data Exchange (ETDEWEB)

    Chirkin, A. S., E-mail: aschirkin@rambler.ru; Belyaeva, O. V., E-mail: lisenok.msu@gmail.com; Belinsky, A. V., E-mail: belinsky@inbox.ru [Moscow State University (Russian Federation)

    2013-01-15

    A normally ordered characteristic function (NOCF) of Bose operators is calculated for a number of discrete-variable entangled states (Greenberger-Horne-Zeilinger (GHZ) and Werner (W) qubit states and a cluster state). It is shown that such NOCFs contain visual information on two types of correlations: pseudoclassical and quantum correlations. The latter manifest themselves in the interference terms of the NOCFs and lead to quantum paradoxes, whereas the pseudoclassical correlations of photons and their cumulants satisfy the relations for classical random variables. Three- and four-qubit states are analyzed in detail. An implementation of an analog of Bernstein's paradox on discrete quantum variables is discussed. A measure of quantumness of an entangled state is introduced that is not related to the entropy approach. It is established that the maximum of the degree of quantumness substantiates the numerical values of the coefficients in multiqubit vector states derived from intuitive considerations.

  6. Electromagnetic properties of low-spin states in 102,104Pd

    International Nuclear Information System (INIS)

    Luontama, M.; Julin, R.; Kantele, J.; Passoja, A.; Trzaska, W.; Baecklin, A.; Jonsson, N.G.; Westerberg, L.

    1985-12-01

    Electromagnetic transitions from low-lying 0 + , 2 + , 4 + and 3 - states in 102 , 104 Pd have been studied with (p,2n) and (p,p) reactions and with Coulomb excitation. The E2 transition probabilities from the 0 3 + state in 102 Pd (13 W.u.) and from the 0 2 + state in 104 Pd (14 W.u.) are somewhat low for two-phonon states. Generally, the E2 transition rates are reasonably well reproduced by the IBA-2 and by the boson-expansion description. The intruding 0 2 + state (tsub(1/2) = 14.3 ns) in 102 Pd is connected to the 2 2 + and 2 3 + states via strong E2 transitions: B(E2;0 2 + →2 2 + )=96+-40 W.u.; B(E2;2 3 + →0 2 + )=17+-8 W.u

  7. Single crystal growth and electronic states in RCu2Sb2

    International Nuclear Information System (INIS)

    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)

  8. A review of the properties of Nb3Sn and their variation with A15 composition, morphology and strain state

    International Nuclear Information System (INIS)

    Godeke, A

    2006-01-01

    Significant efforts can be found throughout the literature to optimize the current-carrying capacity of Nb 3 Sn superconducting wires. The achievable transport current density in wires depends on the A15 composition, morphology and strain state. The A15 sections in wires contain, due to compositional inhomogeneities resulting from solid-state diffusion A15 formation reactions, a distribution of superconducting properties. The A15 grain size can be different from wire to wire, and is also not necessarily homogeneous across the A15 regions. Strain is always present in composite wires, and the strain state changes as a result of thermal contraction differences and Lorentz forces in magnet systems. To optimize the transport properties, it is thus required to identify how composition, grain size and strain state influence the superconducting properties. This is not possible accurately in inhomogeneous and spatially complex systems such as wires. This article therefore gives an overview of the available literature on simplified, well-defined (quasi-)homogeneous laboratory samples. After more than 50 years of research on superconductivity in Nb 3 Sn, a significant amount of results are available, but these are scattered over a multitude of publications. Two reviews exist on the basic properties of A15 materials in general, but no specific review for Nb 3 Sn is available. This article is intended to provide such an overview. It starts with a basic description of the niobium-tin intermetallic. After that, it maps the influence of Sn content on the electron-phonon interaction strength and on the field-temperature phase boundary. The literature on the influence of Cu, Ti and Ta additions will then be summarized briefly. This is followed by a review of the effects of grain size and strain. The article concludes with a summary of the main results. (topical review)

  9. Psychometric Properties of the Persian Version of the Padua Inventory: Washington State University Revision (PI-WSUR)

    OpenAIRE

    Shams, Giti; Kaviani, Hosein; Esmaili, Yaghob; Ebrahimkhani, Narges; Manesh, Alireza Amin

    2011-01-01

    Objective The psychometric properties and factor structure of the Persian Padua Inventory Washington State University Revision (PI-WSUR), a measure of obsessive- compulsive phenomena, was examined in a non-clinical sample of 348 Iranian university students. Method The PI-WSUR was translated into Persian, and its back translation was controlled by the author inventory. A pilot study based on cultural differences was carried out on twenty students. The study subjects consisted of 348 university...

  10. Nuclear ground state properties and self-consistent calculations with the Skyrme interaction. II. S-D shell nuclei

    International Nuclear Information System (INIS)

    Flocard, H.

    1975-04-01

    Hartree-Fock results concerning the ground state properties of some S-D shell nuclei are discussed. Two different Skyrme interactions have been used. They both lead to good agreement with the experimental total binding energies, charge radii and multipole moments. In particular the observed prolate-oblate transitions occuring in the S-D shell are reproduced. The calculated spectroscopic factors are also shown to be consistent with experimental data [fr

  11. Theoretical study of H2/+/ spectroscopic properties. II, III. [2p and 3d excited electronic states

    Science.gov (United States)

    Beckel, C. L.; Shafi, M.; Peek, J. M.

    1973-01-01

    Description of the theoretical spectroscopic properties of the 2p pi/sub u/ and 3d sigma/sub g/ excited states of the H2/+/ hydrogen molecular ion. Numerical integration of the Schrodinger equation is used to determine vibration-rotation eigenvalues. Dunham power series expansions are used to determine the equilibrium separation, potential coefficients, and spectroscopic constants. The eigenvalues are used to determine delta-G, Bv, Dv, and Hv.

  12. A Spatial Hedonic Analysis of the Effects of Wind Energy Facilities on Surrounding Property Values in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Hoen, Ben [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Wiser, Ryan [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Cappers, Peter [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Brown, Jason P. [Federal Reserve Bank of Kansas City, MO (United States); Jackson, Thomas [Real Analytics Inc. and Texas A & M Univ., College Station, TX (United States); Thayer, Mark A. [San Diego State Univ., CA (United States)

    2013-08-21

    This report summarizes a new analysis, building on previously published research, about wind energy’s effects on residential property values. This study helps fill research gaps by collecting and analyzing data from 27 counties across nine U.S. states, related to 67 different wind facilities, and constructs a pooled model that investigates average effects near the turbines across the sample while controlling for local variables, such as sale prices of nearby homes.

  13. Measurement of the Rheological Properties of High Performance Concrete: State of the Art Report

    Science.gov (United States)

    Ferraris, Chiara F.

    1999-01-01

    The rheological or flow properties of concrete in general and of high performance concrete (HPC) in particular, are important because many factors such as ease of placement, consolidation, durability, and strength depend on the flow properties. Concrete that is not properly consolidated may have defects, such as honeycombs, air voids, and aggregate segregation. Such an important performance attribute has triggered the design of numerous test methods. Generally, the flow behavior of concrete approximates that of a Bingham fluid. Therefore, at least two parameters, yield stress and viscosity, are necessary to characterize the flow. Nevertheless, most methods measure only one parameter. Predictions of the flow properties of concrete from its composition or from the properties of its components are not easy. No general model exists, although some attempts have been made. This paper gives an overview of the flow properties of a fluid or a suspension, followed by a critical review of the most commonly used concrete rheology tests. Particular attention is given to tests that could be used for HPC. Tentative definitions of terms such as workability, consistency, and rheological parameters are provided. An overview of the most promising tests and models for cement paste is given.

  14. Molecular properties of steroids involved in their effects on the biophysical state of membranes.

    Science.gov (United States)

    Wenz, Jorge J

    2015-10-01

    The activity of steroids on membranes was studied in relation to their ordering, rigidifying, condensing and/or raft promoting ability. The structures of 82 steroids were modeled by a semi-empirical procedure (AM1) and 245 molecular descriptors were next computed on the optimized energy conformations. Principal component analysis, mean contrasting and logistic regression were used to correlate the molecular properties with 212 cases of documented activities. It was possible to group steroids based on their properties and activities, indicating that steroids having similar molecular properties have similar activities on membranes. Steroids having high values of area, partition coefficient, volume, number of rotatable bonds, molar refractivity, polarizability or mass displayed ordering, rigidifying, condensing and/or raft promoting activity on membranes higher than those steroids having low values in such molecular properties. After a variable selection procedure circumventing correlation problems among descriptors, area and log P were found as the most relevant properties in governing and predicting the activity of steroids on membranes. A logistic regression model as a function of the area and log P of the steroids is proposed, which is able to predict correctly 92.5% of the cases. A rationale of the findings is discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Structural properties of the metastable state of phase change materials investigated by synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Merkelbach, Philipp; Eijk, Julia van; Wuttig, Matthias [I. Phys. Institut (IA), RWTH Aachen, 52056 Aachen (Germany); Braun, Carolin [Institut fuer Anorg. Chemie, CAU Kiel, 24098 Kiel (Germany)

    2008-07-01

    Phase change alloys are among the most promising materials for novel data storage devices. Since several years Phase Change Materials based on Ge-Sb-Te- alloys have been used in optical data storage solutions like rewriteable CDs and DVDs. Recently these alloys have been explored as potential candidates for fast nonvolatile electrical data storage devices in Phase Change Random Access Memory (PCRAM). Besides attracting considerable interest from the commercial point of view phase change materials are very interesting also due to their remarkable physical properties. They have the ability to be reversibly switched within a few nanoseconds between the amorphous and the crystalline phase, while changing their physical properties such as optical reflectivity and electrical resistivity significantly. Even though the electronic properties show a drastical contrast such fast transitions can only be caused by small atomic rearrangements. This behavior calls for a deeper understanding of the structural properties of the alloys. We have performed powder diffraction measurements of the crystal phase of various GeSbTe alloys, to determine the structural similarities and differences of several alloys. Understanding the crystal structure of phase change materials is a key to a deeper insight into the properties of these promising materials.

  16. State-of-the-art review of materials properties of nuclear waste forms

    International Nuclear Information System (INIS)

    Mendel, J.E.; Nelson, R.D.; Turcotte, R.P.; Gray, W.J.; Merz, M.D.; Roberts, F.P.; Weber, W.J.; Westsik, J.H. Jr.; Clark, D.E.

    1981-04-01

    The Materials Characterization Center (MCC) was established at the Pacific Northwest Laboratory to assemble a standardized nuclear waste materials data base for use in research, systems and facility design, safety analyses, and waste management decisions. This centralized data base will be provided through the means of a Nuclear Waste Materials Handbook. The first issue of the Handbook will be published in the fall of 1981 in looseleaf format so that it can be updated as additional information becomes available. To ensure utmost reliability, all materials data appearing in the Handbook will be obtained by standard procedures defined in the Handbook and approved by an independent Materials Review Board (MRB) comprised of materials experts from Department of Energy laboratories and from universities and industry. In the interim before publication of the Handbook there is need for a report summarizing the existing materials data on nuclear waste forms. This review summarizes materials property data for the nuclear waste forms that are being developed for immobilization of high-level radioactive waste. It is intended to be a good representation of the knowledge concerning the properties of HLW forms as of March 1981. The table of contents lists the following topics: introduction which covers waste-form categories, and important waste-form materials properties; physical properties; mechanical properties; chemical durability; vaporization; radiation effects; and thermal phase stability

  17. Black carbon physical properties and mixing state in the European megacity Paris

    Directory of Open Access Journals (Sweden)

    M. Laborde

    2013-06-01

    Full Text Available Aerosol hygroscopicity and refractory black carbon (rBC properties were characterised during wintertime at a suburban site in Paris, one of the biggest European cities. Hygroscopic growth factor (GF frequency distributions, characterised by distinct modes of more-hygroscopic background aerosol and non- or slightly hygroscopic aerosol of local (or regional origin, revealed an increase of the relative contribution of the local sources compared to the background aerosol with decreasing particle size. BC-containing particles in Paris were mainly originating from fresh traffic emissions, whereas biomass burning only gave a minor contribution. The mass size distribution of the rBC cores peaked on average at an rBC core mass equivalent diameter of DMEV ~ 150 nm. The BC-containing particles were moderately coated (coating thickness Δcoat ~ 33 nm on average for rBC cores with DMEV = 180–280 nm and an average mass absorption coefficient (MAC of ~ 8.6 m2 g−1 at the wavelength λ = 880 nm was observed. Different time periods were selected to investigate the properties of BC-containing particles as a function of source and air mass type. The traffic emissions were found to be non-hygroscopic (GF ≈ 1.0, and essentially all particles with a dry mobility diameter (D0 larger than D0 = 110 nm contained an rBC core. rBC from traffic emissions was further observed to be uncoated within experimental uncertainty (Δcoat ~ 2 nm ± 10 nm, to have the smallest BC core sizes (maximum of the rBC core mass size distribution at DMEV ~ 100 nm and to have the smallest MAC (~ 7.3 m2g−1 at λ = 880 nm. The biomass burning aerosol was slightly more hygroscopic than the traffic emissions (with a distinct slightly-hygroscopic mode peaking at GF ≈ 1.1–1.2. Furthermore, only a minor fraction (≤ 10% of the slightly-hygroscopic particles with 1.1 ≤ GF ≤ 1.2 (and D0 = 265 nm contained a detectable rBC core. The BC-containing particles from biomass burning were

  18. Chemical and biochemical properties of Araucaria angustifolia (Bert. Ktze. forest soils in the state of São Paulo

    Directory of Open Access Journals (Sweden)

    Fernanda de Carvalho

    2012-08-01

    Full Text Available Araucaria angustifolia, commonly named Araucaria, is a Brazilian native species that is intensively exploited due to its timber quality. Therefore, Araucaria is on the list of species threatened by extinction. Despite the importance of soil for forest production, little is known about the soil properties of the highly fragmented Araucaria forests. This study was designed to investigate the use of chemical and biological properties as indicators of conservation and anthropogenic disturbance of Araucaria forests in different sampling periods. The research was carried out in two State parks of São Paulo: Parque Estadual Turístico do Alto do Ribeira and Parque Estadual de Campos de Jordão. The biochemical properties carbon and nitrogen in microbial biomass (MB-C and MB-N, basal respiration (BR, the metabolic quotient (qCO2 and the following enzyme activities: β-glucosidase, urease, and fluorescein diacetate hydrolysis (FDA were evaluated. The sampling period (dry or rainy season influenced the results of mainly MB-C, MB-N, BR, and qCO2. The chemical and biochemical properties, except K content, were sensitive indicators of differences in the conservation and anthropogenic disturbance stages of Araucaria forests. Although these forests differ in biochemical and chemical properties, they are efficient in energy use and conservation, which is shown by their low qCO2, suggesting an advanced stage of succession.

  19. Formulation of confinement matrices and characterization of their transport properties from solid to melt state

    International Nuclear Information System (INIS)

    Grandjean, A.

    2006-07-01

    The author gives an overview of his research activity during which she worked on three main subjects. The first one dealt with the investigation of transport mechanisms in metal alloys (experimental investigation of diffusion in amorphous alloys, oxidation mechanism of Zircaloy-4 under temperature and in water or in dry oxygen). The second one dealt with the synthesis and properties of specific confinement matrices (effect of chemical composition on sintering of a carbonate powder, effect of microstructure of high Mo and P content vitro-crystals on lixiviation properties, incorporation of fluorine compounds in the case of borosilicate systems). The third one dealt with the transport in borosilicate glasses and melts (ionic transport, properties, and electrical transport glass-RuO 2 particles composites)

  20. Electronic structure and optical properties of twisted bilayer graphene calculated via time evolution of states in real space

    Science.gov (United States)

    Le, H. Anh; Do, V. Nam

    2018-03-01

    We investigate the electronic and optical properties of twisted bilayer graphene with arbitrary twist angles θ . Our results are based on a method of evolving in time quantum states in lattice space. We propose an efficient scheme of sampling lattice nodes that helps to reduce significantly computational cost, particularly for tiny twist angles. We demonstrate the continuous variation of the density of states and the optical conductivity with respect to the twist angle. It indicates that the commensurability between the two graphene layers does not play an essential role in governing the electronic and optical properties. We point out that, for the twist angles roughly in the range 0 .1∘energy exhibits the typical W shape with a small peak locating at the Fermi energy. This peak is formed as the merging of two van Hove peaks and reflects the appearance of states strongly localized in the AA-like region of moiré zones. When decreasing the twist angle to zero, the W shape is gradually transformed to the U shape, which is seen as the behavior of the density of states in the limit of θ →0∘ .

  1. Ground state of the U{sub 2}Mo compound: Physical properties of the Ω-phase

    Energy Technology Data Exchange (ETDEWEB)

    Losada, E.L. [SIM3, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina); Garcés, J.E., E-mail: garces@cab.cnea.gov.ar [GIA, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina)

    2016-10-15

    Using ab initio calculations, unexpected structural instability was recently found in the ground state of the U{sub 2} Mo compound. Instead of the unstable I4/mmm and the Pmmn structures, in this work the P6/mmm (#191) space group, usually called Ω-phase, is proposed as the fundamental state. Total energy calculations using Wien2k code slightly favoured the last structure. Electronic and elastic properties are studied in this work in order to characterize the physical properties of this new phase. The stability of the Ω-phase is studied by means of its elastic constants calculation and phonon dispersion spectrum. Analysis of isotropic indices shows that the new phase is a ductile material with a minimal degree of anisotropy, suggesting that U{sub 2} Mo in the P6/mmm structure is an elastic isotropic material. Analysis of charge density, density of electronic states (DOS) and the character of the bands revealed a high level of hybridization between d-molybdenum electronic states and d- and f-uranium ones.

  2. Positive parity states and some electromagnetic transition properties of even-odd europium isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Yazar, Harun Resit, E-mail: yazar@nevsehir.edu.tr [Nevsehir University, Faculty of Art and Science (Turkey)

    2013-06-15

    The positive-parity low-spin states of even-odd Europium isotopes ({sup 151-155}Eu) were studied within the framework of the interacting boson-fermion model. The calculated positive low-spin state energy spectra of the odd Eu isotope were found to agree quite well with the experimental data. The B(E2) values were also calculated and it was found that the calculated positive-parity low-spin state energy spectra of the odd-A Eu isotopes agree quite well with the experimental data.

  3. The effect of edge and impurities sites properties on their localized states in semi-infinite zigzag edged 2D honeycomb graphene sheet

    OpenAIRE

    Ahmed, Maher

    2011-01-01

    In this work, the tridiagonal method is used to distinguish between edges modes and area modes to study the edge sites properties effect on edge localized states of semi-infinite zigzag 2D honeycomb graphene sheet. The results show a realistic behavior for the dependance of edge localized states of zigzag graphene on the edge sites properties which explaining the experimental results of measured local density of states at the edge of graphene, while at the same time removing the inconsistence...

  4. Present state and prospect of systematics for the properties of even-even nuclei

    International Nuclear Information System (INIS)

    Zhao Yumin; Gu Jinnan

    1993-01-01

    The study of systematics for the properties of even-even nuclei, which is a new research field in nuclei structure, is reviewed. The primary results, including systematic analysis of energy spectra and electromagnetic transition, and the empirical law extracted from experimental data, are presented. It is expected that there will be new developments in the next few years in this fields

  5. Pharmaceutical cocrystals:formation mechanisms, solubility behaviour and solid-state properties

    OpenAIRE

    Alhalaweh, Amjad

    2012-01-01

    The primary aim of pharmaceutical materials engineering is the successful formulation and process development of pharmaceutical products. The diversity of solid forms available offers attractive opportunities for tailoring material properties. In this context, pharmaceutical cocrystals, multicomponent crystalline materials with definite stoichiometries often stabilised by hydrogen bonding, have recently emerged as interesting alternative solid forms with potential for improving the physical a...

  6. Effects of tree species on soil properties in a forest of the Northeastern United States

    NARCIS (Netherlands)

    Dijkstra, F.A.

    2001-01-01

    Large differences in soil pH and available Ca in the surface soil exist among tree species growing in a mixed hardwood forest in northwestern Connecticut. The observed association between tree species and specific soil chemical properties within mixed-species stands implies that changes in

  7. Ovrseas Real Property: State Department Needs to Improve Guidance and Records Management

    Science.gov (United States)

    2014-09-25

    next to two additional unneeded properties they had been attempting to sell since 2011, would possibly depress the disposal price if Page 15...for additional information. Connect with GAO on Facebook, Flickr, Twitter, and YouTube . Subscribe to our RSS Feeds or E-mail Updates. Listen to our

  8. Properties of excited singular states of the anthraquinone dye in the Langmuir-Blodgett films

    International Nuclear Information System (INIS)

    Baratova, A.A.; Ibraev, N.Kh.

    2004-01-01

    The spectral luminescence properties of the anthraquinone dye solution and the Langmuir-Blodgett films have been investigated. The nature of the absorption centers is determined from the spectral characteristics. The conclusion about probable spatial configuration of the dye molecule in the dye molecule in monolayer on water surface is made. (author)

  9. 77 FR 65048 - Privacy Act; System of Records: Personal Property Claims, State-27

    Science.gov (United States)

    2012-10-24

    ..., claimant number, claim type, incident place, first name, and last name. SAFEGUARDS: All users are given... authentication and time out function. All Department of State employees and contractors with authorized access...

  10. Saturated properties prediction in critical region by a quartic equation of state

    Directory of Open Access Journals (Sweden)

    Yong Wang

    2011-08-01

    Full Text Available A diverse substance library containing extensive PVT data for 77 pure components was used to critically evaluate the performance of a quartic equation of state and other four famous cubic equations of state in critical region. The quartic EOS studied in this work was found to significantly superior to the others in both vapor pressure prediction and saturated volume prediction in vicinity of critical point.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  12. The properties of 4'-N,N-dimethylaminoflavonol in the ground and excited states

    Science.gov (United States)

    Moroz, V. V.; Chalyi, A. G.; Roshal, A. D.

    2008-09-01

    The mechanism of protonation of 4-N,N-dimethylaminoflavonol and the structure of its protolytic forms in the ground and excited states were studied by electron absorption and fluorescence (steady-state and time-resolved) spectroscopy and with the use of the RM1 quantum-chemical method. A comparison of equilibrium constants and the theoretical enthalpies of formation showed that excitation should be accompanied by the inversion of the basicity of the electron acceptor groups of this compound and, as a consequence, changes in the structure of its monocationic form. An analysis of the spectral parameters of the protolytic 4-N,N-dimethylaminoflavonol forms, however, showed that their structure and the sequence of protonation in the excited state were the same as in the ground state. Changes in the structure of the monocation in the excited state were not observed because of the fast radiationless deactivation of this form and the occurrence of excited state intramolecular proton transfer in aprotic solvents.

  13. The ways to improve state regulation of land turnover which are in a government and municipal property in Ukraine

    Directory of Open Access Journals (Sweden)

    S. A. Serdyuk

    2016-09-01

    Full Text Available After comprehensive scientific exploration the ways of improvement of state regulation of land turnover which are in a government and state municipal property in Ukraine have been identified. Also it was proposed and justified the conceptual bases of strategy in development of state regulation. As a result of scientific exploration the directions of improvement of organizational mechanism have been formed also and wich a viev to improve legal mechanism of state regulation of land turnover it was suggested the modern approach of it. The main problem that constrains mechanical development of state regulation is non-compliance with legal principles, corruption and low motivation of officials. Approach to improvement is necessity of strategic development by the way of compliance law principles, realization of identified steps in development, using the practice of international regulation in land turnover. Strategic goals are in improvement of procedure of land turnover in public property by the way of advance mechanisms of state regulation; in a finding of effective approaches to improvement components of the legal mechanism; to produce and to offer propositions about development of components legal mechanism; to create clear and understandable procedure of land turnover for all participants in relationships in accordance with European legal traditions etc.Scenario of development that was elected is strategic and directed to solve the problems, perfection of economic, organizational and legal mechanisms of land turnover and also system development. But there are some risks that can interfere realization of strategic priorities. They are in outside threat, political instability, the economic downturn and corruption. We have chosen the next evaluation criteria: the level of investment attractiveness; the level of perception corruption in the society; the level of rating and satisfying quality of in land turnover process by the market participants with

  14. On the effects of pressure and irradiation on the transport properties of samarium compounds with unstable valence

    International Nuclear Information System (INIS)

    Morillo, J.

    1983-06-01

    We present the first extensive study of electronic transport properties of ''quasi-stoichiometric'' SmS as a function of pressure P, temperature T, magnetic field B and defect concentration C. SmS which is a semiconductor, undergoes with increasing P a first order transition towards an homogeneous intermediate valence state. In the semiconducting phase (s.c.), the energie epsilon(f) necessary to delocalize a 4f electron increases greatly with T and is about 250meV at 300K. The phase diagram for the first order electronic transition Sm 2 + →Smsup(2+epsilon) with P has been determined for T 6 has been investigated by resistivity measurements under irradiation at 21K. The threshold energy Ed for displacement of Sm in SmS has been determined: Ed(Sm) = 20 +- 2 eV, and the observed effects of irradiation have been associated to samarium displacements (vacancies and interstitials) [fr

  15. Mechanical and Thermal Properties of Dental Composites Cured with CAD/CAM Assisted Solid-State Laser

    Directory of Open Access Journals (Sweden)

    Roberto De Santis

    2018-03-01

    Full Text Available Over the last three decades, it has been frequently reported that the properties of dental restorative composites cured with argon laser are similar or superior to those achieved with conventional halogen and light emitting diode (LED curing units. Whereas laser curing is not dependent on the distance between the curing unit and the material, such distance represents a drawback for conventional curing units. However, a widespread clinical application of this kind of laser remains difficult due to cost, heavy weight, and bulky size. Recently, with regard to the radiation in the blue region of the spectrum, powerful solid-state lasers have been commercialized. In the current research, CAD (computer-aided design/CAM (computer-aided manufacturing assisted solid-state lasers were employed for curing of different dental restorative composites consisting of micro- and nanoparticle-reinforced materials based on acrylic resins. Commercial LED curing units were used as a control. Temperature rise during the photopolymerisation process and bending properties were measured. By providing similar light energy dose, no significant difference in temperature rise was observed when the two light sources provided similar intensity. In addition, after 7 days since curing, bending properties of composites cured with laser and LED were similar. The results suggested that this kind of laser would be suitable for curing dental composites, and the curing process does not suffer from the tip-to-tooth distance.

  16. Mechanical and Thermal Properties of Dental Composites Cured with CAD/CAM Assisted Solid-State Laser

    Science.gov (United States)

    De Santis, Roberto; Gloria, Antonio; Maietta, Saverio; Martorelli, Massimo; De Luca, Alessandro; Spagnuolo, Gianrico; Riccitiello, Francesco; Rengo, Sandro

    2018-01-01

    Over the last three decades, it has been frequently reported that the properties of dental restorative composites cured with argon laser are similar or superior to those achieved with conventional halogen and light emitting diode (LED) curing units. Whereas laser curing is not dependent on the distance between the curing unit and the material, such distance represents a drawback for conventional curing units. However, a widespread clinical application of this kind of laser remains difficult due to cost, heavy weight, and bulky size. Recently, with regard to the radiation in the blue region of the spectrum, powerful solid-state lasers have been commercialized. In the current research, CAD (computer-aided design)/CAM (computer-aided manufacturing) assisted solid-state lasers were employed for curing of different dental restorative composites consisting of micro- and nanoparticle-reinforced materials based on acrylic resins. Commercial LED curing units were used as a control. Temperature rise during the photopolymerisation process and bending properties were measured. By providing similar light energy dose, no significant difference in temperature rise was observed when the two light sources provided similar intensity. In addition, after 7 days since curing, bending properties of composites cured with laser and LED were similar. The results suggested that this kind of laser would be suitable for curing dental composites, and the curing process does not suffer from the tip-to-tooth distance. PMID:29584683

  17. Links between soil properties and steady-state solute transport through cultivated topsoil at the field scale

    Science.gov (United States)

    Koestel, J. K.; Norgaard, T.; Luong, N. M.; Vendelboe, A. L.; Moldrup, P.; Jarvis, N. J.; Lamandé, M.; Iversen, B. V.; Wollesen de Jonge, L.

    2013-02-01

    It is known that solute transport through soil is heterogeneous at all spatial scales. However, little data are available to allow quantification of these heterogeneities at the field scale or larger. In this study, we investigated the spatial patterns of soil properties, hydrologic state variables, and tracer breakthrough curves (BTCs) at the field scale for the inert solute transport under a steady-state irrigation rate which produced near-saturated conditions. Sixty-five undisturbed soil columns approximately 20 cm in height and diameter were sampled from the loamy topsoil of an agricultural field site in Silstrup (Denmark) at a sampling distance of approximately 15 m (with a few exceptions), covering an area of approximately 1 ha (60 m × 165 m). For 64 of the 65 investigated soil columns, we observed BTC shapes indicating a strong preferential transport. The strength of preferential transport was positively correlated with the bulk density and the degree of water saturation. The latter suggests that preferential macropore transport was the dominating transport process. Increased bulk densities were presumably related with a decrease in near-saturated hydraulic conductivities and as a consequence to larger water saturation and the activation of larger macropores. Our study provides further evidence that it should be possible to estimate solute transport properties from soil properties such as soil texture or bulk density. We also demonstrated that estimation approaches established for the column scale have to be upscaled when applied to the field scale or larger.

  18. Characterization of scale-free properties of human electrocorticography in awake and slow wave sleep states

    Directory of Open Access Journals (Sweden)

    John M Zempel

    2012-06-01

    Full Text Available Like many complex dynamic systems, the brain exhibits scale-free dynamics that follow power law scaling. Broadband power spectral density (PSD of brain electrical activity exhibits state-dependent power law scaling with a log frequency exponent that varies across frequency ranges. Widely divergent naturally occurring neural states, awake and slow wave sleep (SWS periods, were used evaluate the nature of changes in scale-free indices. We demonstrate two analytic approaches to characterizing electrocorticographic (ECoG data obtained during Awake and SWS states. A data driven approach was used, characterizing all available frequency ranges. Using an Equal Error State Discriminator (EESD, a single frequency range did not best characterize state across data from all six subjects, though the ability to distinguish awake and SWS states in individual subjects was excellent. Multisegment piecewise linear fits were used to characterize scale-free slopes across the entire frequency range (0.2-200 Hz. These scale-free slopes differed between Awake and SWS states across subjects, particularly at frequencies below 10 Hz and showed little difference at frequencies above 70 Hz. A Multivariate Maximum Likelihood Analysis (MMLA method using the multisegment slope indices successfully categorized ECoG data in most subjects, though individual variation was seen. The ECoG spectrum is not well characterized by a single linear fit across a defined set of frequencies, but is best described by a set of discrete linear fits across the full range of available frequencies. With increasing computational tractability, the use of scale-free slope values to characterize EEG data will have practical value in clinical and research EEG studies.

  19. Some properties of the resonant state in quantum mechanics and its computation

    International Nuclear Information System (INIS)

    Hatano, Naomichi; Sasada, Keita; Nakamura, Hiroaki; Petrosky, Tomio

    2007-08-01

    The resonant state of the open quantum system is studied from the viewpoint of the outgoing momentum flux. We show that the number of particles is conserved for a resonant state, it we use an expanding volume of integration in order to take account of the outgoing momentum flux; the number of particles would decay exponentially in a fixed volume of integration. Moreover, we introduce new numerical methods of treating the resonant state with the use of the effective potential. We first give a numerical method of finding a resonance pole in the complex energy plane. The method seeks an energy eigenvalue iteratively. We found that our method leads to a super-convergence, the convergence exponential with respect to the iteration step. The present method is completely independent of commonly used complex scaling. We also give a numerical trick for computing the time evolution of the resonant state in limited spatial area. Since the wave function of the resonant state is diverging away from the scattering potential, it has been previously difficult to follow its time evolution numerically in a finite area. (author)

  20. NATO Advanced Study Institute International Advanced Course on The Liquid State and Its Electrical Properties

    CERN Document Server

    Christophorou, L; Luessen, L

    1988-01-01

    As the various disciplines of science advance, they proliferate and tend to become more esoteric. Barriers of specialized terminologies form, which cause scientists to lose contact with their colleagues, and differences in points-of-view emerge which hinder the unification of knowledge among the various disciplines, and even within a given discipline. As a result, the scientist, and especially the student, is in many instances offered fragmented glimpses of subjects that are funda­ mentally synthetic and that should be treated in their own right. Such seems to be the case of the liquid state. Unlike the other states of matter -- gases, solids, and plasmas -- the liquid state has not yet received unified treatment, probably because it has been the least explored and remains the least understood state of matter. Occasionally, events occur which help remove some of the barriers that separate scientists and disciplines alike. Such an event was the ASI on The Liquid State held this past July at the lovely Hotel T...

  1. Ground state properties of a spin chain within Heisenberg model with a single lacking spin site

    International Nuclear Information System (INIS)

    Mebrouki, M.

    2011-01-01

    The ground state and first excited state energies of an antiferromagnetic spin-1/2 chain with and without a single lacking spin site are computed using exact diagonalization method, within the Heisenberg model. In order to keep both parts of a spin chain with a lacking site connected, next nearest neighbors interactions are then introduced. Also, the Density Matrix Renormalization Group (DMRG) method is used, to investigate ground state energies of large system sizes; which permits us to inquire about the effect of large system sizes on energies. Other quantum quantities such as fidelity and correlation functions are also studied and compared in both cases. - Research highlights: → In this paper we compute ground state and first excited state energies of a spin chain with and without a lacking spin site. The next nearest neighbors are introduced with the antiferromagnetic Heisenberg spin-half. → Exact diagonalization is used for small systems, where DMRG method is used to compute energies for large systems. Other quantities like quantum fidelity and correlation are also computed. → Results are presented in figures with comments. → E 0 /N is computed in a function of N for several values of J 2 and for both systems. First excited energies are also investigated.

  2. Ab initio structural and electronic properties of hydrogenated silicon nanoclusters in the ground and excited state

    International Nuclear Information System (INIS)

    Degoli, Elena; Bisi, O.; Ossicini, Stefano; Cantele, G.; Ninno, D.; Luppi, Eleonora; Magri, Rita

    2004-01-01

    Electronic and structural properties of small hydrogenated silicon nanoclusters as a function of dimension are calculated from ab initio technique. The effects induced by the creation of an electron-hole pair are discussed in detail, showing the strong interplay between the structural and optical properties of the system. The distortion induced on the structure after an electronic excitation of the cluster is analyzed together with the role of the symmetry constraint during the relaxation. We point out how the overall effect is that of significantly changing the electronic spectrum if no symmetry constraint is imposed to the system. Such distortion can account for the Stokes shift and provides a possible structural model to be linked to the four-level scheme invoked in the literature to explain recent results for the optical gain in silicon nanoclusters. Finally, formation energies for clusters with increasing dimension are calculated and their relative stability discussed

  3. Top Quark Pair Properties - Spin Correlation, Charge Asymmetry, and Complex Final States - at ATLAS

    Directory of Open Access Journals (Sweden)

    Brost Elizabeth

    2014-04-01

    Full Text Available We present measurements of top quark pair properties performed with the ATLAS detector at the Large Hadron Collider in proton-proton collisions at a center-of-mass energy of √s = 7 TeV. The latest measurements of spin correlation and charge asymmetry in tt¯$t\\overline t $ events, as well as measurements of the cross section for tt¯$t\\overline t $ production in association with vector bosons, are presented.

  4. Available states and available space: Static properties that predict dynamics of confined fluids

    OpenAIRE

    Goel, Gaurav; Krekelberg, William P.; Pond, Mark J.; Mittal, Jeetain; Shen, Vincent K.; Errington, Jeffrey R.; Truskett, Thomas M.

    2009-01-01

    Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence that knowledge of how confinement modifies static behavior can aid in forecasting dynamics. Specifically, molecular simulation studies have shown that the relationship between excess entropy and self diffusivity of a bulk equilibrium fluid changes only mod...

  5. Voxel Scale Complex Networks of Functional Connectivity in the Rat Brain: Neurochemical State Dependence of Global and Local Topological Properties

    Directory of Open Access Journals (Sweden)

    Adam J. Schwarz

    2012-01-01

    Full Text Available Network analysis of functional imaging data reveals emergent features of the brain as a function of its topological properties. However, the brain is not a homogeneous network, and the dependence of functional connectivity parameters on neuroanatomical substrate and parcellation scale is a key issue. Moreover, the extent to which these topological properties depend on underlying neurochemical changes remains unclear. In the present study, we investigated both global statistical properties and the local, voxel-scale distribution of connectivity parameters of the rat brain. Different neurotransmitter systems were stimulated by pharmacological challenge (d-amphetamine, fluoxetine, and nicotine to discriminate between stimulus-specific functional connectivity and more general features of the rat brain architecture. Although global connectivity parameters were similar, mapping of local connectivity parameters at high spatial resolution revealed strong neuroanatomical dependence of functional connectivity in the rat brain, with clear differentiation between the neocortex and older brain regions. Localized foci of high functional connectivity independent of drug challenge were found in the sensorimotor cortices, consistent with the high neuronal connectivity in these regions. Conversely, the topological properties and node roles in subcortical regions varied with neurochemical state and were dependent on the specific dynamics of the different functional processes elicited.

  6. Entanglement properties of the two-dimensional SU(3) Affleck-Kennedy-Lieb-Tasaki state

    Science.gov (United States)

    Gauthé, Olivier; Poilblanc, Didier

    2017-09-01

    Two-dimensional (spin-2) Affleck-Kennedy-Lieb-Tasaki (AKLT) type valence bond solids on a square lattice are known to be symmetry-protected topological (SPT) gapped spin liquids [S. Takayoshi, P. Pujol, and A. Tanaka Phys. Rev. B 94, 235159 (2016), 10.1103/PhysRevB.94.235159]. Using the projected entangled pair state framework, we extend the construction of the AKLT state to the case of SU(3 ) , relevant for cold atom systems. The entanglement spectrum is shown to be described by an alternating SU(3 ) chain of "quarks" and "antiquarks", subject to exponentially decaying (with distance) Heisenberg interactions, in close similarity with its SU(2 ) analog. We discuss the SPT feature of the state.

  7. Quasi-particle properties from tunneling in the v = 5/2 fractional quantum Hall state.

    Science.gov (United States)

    Radu, Iuliana P; Miller, J B; Marcus, C M; Kastner, M A; Pfeiffer, L N; West, K W

    2008-05-16

    Quasi-particles with fractional charge and statistics, as well as modified Coulomb interactions, exist in a two-dimensional electron system in the fractional quantum Hall (FQH) regime. Theoretical models of the FQH state at filling fraction v = 5/2 make the further prediction that the wave function can encode the interchange of two quasi-particles, making this state relevant for topological quantum computing. We show that bias-dependent tunneling across a narrow constriction at v = 5/2 exhibits temperature scaling and, from fits to the theoretical scaling form, extract values for the effective charge and the interaction parameter of the quasi-particles. Ranges of values obtained are consistent with those predicted by certain models of the 5/2 state.

  8. 2D XXZ model ground state properties using an analytic Lanczos expansion

    International Nuclear Information System (INIS)

    Witte, N.S.; Hollenberg, L.C.L.; Weihong Zheng

    1997-01-01

    A formalism was developed for calculating arbitrary expectation values for any extensive lattice Hamiltonian system using a new analytic Lanczos expansion, or plaquette expansion, and a recently proved exact theorem for ground state energies. The ground state energy, staggered magnetisation and the excited state gap of the 2D anisotropic antiferromagnetic Heisenberg Model are then calculated using this expansion for a range of anisotropy parameters and compared to other moment based techniques, such as the t-expansion, and spin-wave theory and series expansion methods. It was found that far from the isotropic point all moment methods give essentially very similar results, but near the isotopic point the plaquette expansion is generally better than the others. 20 refs., 6 tabs

  9. Ground-state properties of K-isotopes from laser and $\\beta$-NMR spectroscopy

    CERN Multimedia

    Lievens, P; Rajabali, M M; Krieger, A R

    By combining high-resolution laser spectroscopy with $\\beta$-NMR spectroscopy on polarized K-beams we aim to establish the ground-state spins and magnetic moments of the neutron-rich $^{48,49,50,51}$K isotopes from N=29 to N=32. Spins and magnetic moments of the odd-K isotopes up to N=28 reveal an inversion of the ground-state, from the normal $\\,{I}$=3/2 ($\\pi{d}_{3/2}^{-1}$) in $^{41-45}$K$\\to\\,{I}$=1/2 ($\\pi{s}_{1/2}^{-1}$) in $^{47}$K. This inversion of the proton single particle levels is related to the strong proton $d_{3/2}$ - neutron $f_{7/2}$ interaction which lowers the energy of the $\\pi{d}_{3/2}$ single particle state when filling the $\

  10. Spectroscopic and electric dipole properties of Sr+Ar and SrAr systems including high excited states

    Science.gov (United States)

    Hamdi, Rafika; Abdessalem, Kawther; Dardouri, Riadh; Al-Ghamdi, Attieh A.; Oujia, Brahim; Gadéa, Florent Xavier

    2018-01-01

    The spectroscopic properties of the fundamental and several excited states of Sr+Ar and SrAr, Van der Waals systems are investigated by employing an ab initio method in a pseudo-potential approach. The potential energy curves and the spectroscopic parameters are displayed for the 1-10 2Σ+, 1-6 2Π and 1-3 2Δ electronic states of the Sr+Ar molecule and for the 1-6 1Σ+, 1-4 3Σ+, 1-3 1,3Π and 1-3 1,3Δ states of the neutral molecule SrAr. In addition, from these curves, the vibrational levels and their energy spacing are deduced for Σ+, Π and Δ symmetries. The spectra of the permanent and transition dipole moments are studied for the 1,3Σ+ states of SrAr, which are considered to be two-electron systems and 2Σ+ states of the single electron Sr+Ar ion. The spectroscopic parameters obtained for each molecular system are compared with previous theoretical and experimental works. A significant correlation revealed the accuracy of our results.

  11. Ground-state properties of third-row elements with nonlocal density functionals

    International Nuclear Information System (INIS)

    Bagno, P.; Jepsen, O.; Gunnarsson, O.

    1989-01-01

    The cohesive energy, the lattice parameter, and the bulk modulus of third-row elements are calculated using the Langreth-Mehl-Hu (LMH), the Perdew-Wang (PW), and the gradient expansion functionals. The PW functional is found to give somewhat better results than the LMH functional and both are found to typically remove half the errors in the local-spin-density (LSD) approximation, while the gradient expansion gives worse results than the local-density approximation. For Fe both the LMH and PW functionals correctly predict a ferromagnetic bcc ground state, while the LSD approximation and the gradient expansion predict a nonmagnetic fcc ground state

  12. Calculation of the phonon density of states and related thermodynamic properties for trigonal selenium

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Alldredge, G. P.; McMurry, H. L.

    1983-01-01

    The phonon density of states for trigonal selenium has been calculated on the basis of a short range force model giving good overall agreement with experimental room temperature phonon dispersion data. A qualitative comparison with an experimental determination of the phonon density of states shows...... similarities in the gross features, but the experimental data lacks many of the finer details shown by the theoretical results due to resolution effects. The lattice dynamical contribution to the heat capacity CV is calculated and is found to be in good agreement with experimental determinations of Cp after...

  13. Managing Assets Of Agricultural Property Of The National Treasury In The Context Of State Aid Granted By The Agricultural Property Agency

    Directory of Open Access Journals (Sweden)

    Lizińska Wiesława

    2015-09-01

    Full Text Available This study covers the issue of activities of the Agricultural Property Agency in terms of state aid in the form of non-repayable financial aid, with the following specific objectives: determining the scale and diversity of state aid granted by the APA (including the local branch in Olsztyn, evaluating the current technical condition of some of the assets and their condition upon being handed over by the APA, determining their importance, main problems associated with resources which are taken over, identifying and assessing the importance of actions which encourage communes to take over property still held by the APA, assessing the scale and procedure of aid granted in the opinion of representatives of APA units. The article makes use of information obtained from the local branch of the APA in Olsztyn in the years 2003-2014. A direct survey among the entities was taken. The survey questionnaire was sent in 2014 to all communes (gminas of the Province (Voivodeship of Warmia and Mazury (116 units. Completed questionnaires were returned by 73 representatives of the communes. A total of PLN 327.1 million was allotted in the Agency’s financial plans for the program of non-repayable financial aid during the period from 2009 to 2014. Approximately 81.6% of PLN 164.4 million granted by the local branch of the APA in Olsztyn, was granted to units of the public finance sector. As was shown in the survey conducted among representatives of local governments, the interest of communes in taking over assets still held by2 the local branch of the APA in Olsztyn could be increased by limiting the number of tenants who do not pay the rent regularly and by increasing the amount of non-repayable financial aid. It is possible to carry out the latter action, but the former could prove to be extremely difficult.

  14. Systematic thermodynamic properties of actinide metal-oxygen systems at high temperatures: Emphasis on lower valence states

    International Nuclear Information System (INIS)

    Ackermann, R.J.; Chandrasekharaiah, M.S.

    1975-01-01

    The thermodynamic data for the actinide metals and oxides (thorium to curium ) have been assessed, examined for consistency, and compared with the lanthanides. Correlations relating the enthalpies of formation of the solid oxides with the corresponding aquo ions make possible the estimation of the thermodynamic properties of AmO 2 (s) and Am 2 O 3 (s) which are in accordance with vaporization data. The known thermodynamic properties of the substoichiometric dioxides MOsub(2-x)(s) at high temperatures demonstrate the relative stabilities of valence states less than 4+ and lead to the examination of stability requirements for the sesquioxides M 2 O 3 (s) and the monoxides MO(s). Sequential trends in the gaseous metals, monoxides and dioxides are examined, compared, and contrasted with the lanthanides. (author)

  15. Characterization and technological properties of mineral clays used in the Southwest of Parana and West of Santa Catarina states

    International Nuclear Information System (INIS)

    Valdameri, C.Z.; Ciesca, D.F.; Zatta, L.; Anaissi, F.J.

    2014-01-01

    This paper aims to characterize clay minerals used in the ceramic industry in southwestern region of Parana and west of Santa Catarina states. The precursors used were the same used by industries in these regions for the production of bricks. The precursors were characterized,preliminary results are shown with respect to structural, chemical and physical precursors (XRD, EDS and plasticity). The specimens were characterized for technological burning properties: linear shrinkage, water absorption, flexural tension and density. The results show that the clays present Typical chemical composition of raw clay, however, the evaluation of technological properties after burning indicate negative results to be applied to the manufacture of red ceramic because did not meet the regulatory requirements. (author)

  16. Spectroscopic and Electrochemical Properties of Lithium-Rich LiFePO4 Cathode Synthesized by Solid-State Reaction

    Science.gov (United States)

    Rosaiah, P.; Hussain, O. M.; Zhu, Jinghui; Qiu, Yejun

    2017-08-01

    Lithium iron phosphate (Li x FePO4) is synthesized by a solid-state reaction method. The structural, electrical and electrochemical properties are studied in detail. It is found that the increment of lithium concentration (up to x = 1.05) does not affect the structure of LiFePO4 but improves its electrical conductivity as well as electrochemical performance. Surface morphological studies exhibited the formation of rod-like nanoparticles with small size. Electric and dielectric properties are also investigated over a frequency range of 1 Hz-1 MHz at different temperatures. The conductivity increased with increasing temperature, which follows the Arrhenius relation with the activation energy of about 0.31 eV. And the electrochemical tests found that the Li1.05FePO4 cathode possessed improved discharge capacity with better cycling performance.

  17. Properties of soils and tree-wood tissue across a Lake States sulfate-deposition gradient. Forest Service resource bulletin

    International Nuclear Information System (INIS)

    Ohmann, L.F.; Grigal, D.F.

    1991-01-01

    There is general concern that atmospheric pollutants may be affecting the health of forests in the USA. The hypotheses tested were that the wet sulfate deposition gradient across the Lake States: (1) is reflected in the amount of accumulated sulfur in the forest floor-soil system and tree woody tissue and (2) is related to differences in tree radial increment. The authors present the properties of the soil and tree woody tissue (mostly chemical) on the study plots. Knowledge of the properties of soil and woody tree tissue is needed for understanding and interpreting relations between sulfate deposition, sulfur accumulation in the ecosystem, soil and tree chemistry, and tree growth and climatic variation. The report provides a summary of those data for study, analysis, and interpretation

  18. Thermodynamical properties of dark energy with the equation of state ω=ω0+ω1z

    International Nuclear Information System (INIS)

    Zhang Yongping; Yi Zelong; Zhang Tongjie; Liu Wenbiao

    2008-01-01

    The thermodynamical properties of dark energy are usually investigated with the equation of state ω=ω 0 +ω 1 z. Recent observations show that our Universe is accelerating, and the apparent horizon and the event horizon vary with redshift z. Because definitions of the temperature and entropy of a black hole are used to describe the two horizons of the Universe, we examine the thermodynamical properties of the Universe, which is enveloped by the apparent horizon and the event horizon, respectively. We show that the first and the second laws of thermodynamics inside the apparent horizon in any redshift are satisfied, while they are broken down inside the event horizon in some redshifts. Therefore, the apparent horizon for the Universe may be the boundary of thermodynamical equilibrium for the Universe like the event horizon for a black hole

  19. Effect of distribution, interface property and density of hydrogel-embedded vertically aligned carbon nanotube arrays on the properties of a flexible solid state supercapacitor

    Science.gov (United States)

    Zhu, Qi; Yuan, Xietao; Zhu, Yihao; Ni, Jiangfeng; Zhang, Xiaohua; Yang, Zhaohui

    2018-05-01

    In this paper we fabricate a robust flexible solid-state supercapacitor (FSC) device by embedding a conductive poly(vinyl alcohol) hydrogel into aligned carbon nanotube (CNT) arrays. We carefully investigate the effect of distribution, interface properties and densification of CNTs in the gel matrix on the electrochemical properties of an FSC. The total electrochemical capacitance of the device is measured to be 227 mF cm‑3 with a maximum energy density of 0.02 mWh cm‑3, which is dramatically enhanced compared with a similar device composed of non-parallel CNTs. Additionally, controllable in situ electrochemical oxidation greatly improved the compatibility between the hydrophobic CNTs and the hydrophilic hydrogel, which decreased the resistance of the device and introduced extra pseudocapacitance. After such oxidation treatment the energy storage ability further doubled to 430 mF cm‑3 with a maximum energy density of 0.04 mWh cm‑3 . The FSCs based on densified CNT arrays exhibited a much higher volumetric capacitance of 1140 mF cm‑3 and a larger energy density of 0.1 mWh cm‑3, with a large power density of 14 mW cm‑3. All devices show excellent stability of capacitance after at least 10 000 charge–discharge cycles with a loss of less than 2%. These easy-to-assemble hybrid arrays thus potentially provide a new method for manufacturing wearable devices and implantable medical devices.

  20. Mechanism of the high transition temperature for the 1111-type iron-based superconductors R FeAsO (R =rare earth ): Synergistic effects of local structures and 4 f electrons

    Science.gov (United States)

    Zhang, Lifang; Meng, Junling; Liu, Xiaojuan; Yao, Fen; Meng, Jian; Zhang, Hongjie

    2017-07-01

    Among the iron-based superconductors, the 1111-type Fe-As-based superconductors REFeAs O1 -xFx (RE = rare earth) exhibit high transition temperatures (Tc) above 40 K. We perform first-principles calculations based on density functional theory with the consideration of both electronic correlations and spin-orbit couplings on rare earths and Fe ions to study the underlying mechanism as the microscopic structural distortions in REFeAsO tuned by both lanthanide contraction and external strain. The electronic structures evolve similarly in both cases. It is found that there exist an optimal structural regime that will not only initialize but also optimize the orbital fluctuations due to the competing Fe-As and Fe-Fe crystal fields. We also find that the key structural features in REFeAsO, such as As-Fe-As bond angle, intrinsically induce the modification of the Fermi surface and dynamic spin fluctuation. These results suggest that the superconductivity is mediated by antiferromagnetic spin fluctuations. Simultaneously, we show that the rare-earth 4 f electrons play important roles on the high transition temperature whose behavior might be analogous to that of the heavy-fermion superconductors. The superconductivity of these 1111-type iron-based superconductors with high-Tc is considered to originate from the synergistic effects of local structures and 4 f electrons.

  1. Some fundamental properties of the ground state of atoms and molecules

    International Nuclear Information System (INIS)

    Lieb, E.H.

    1986-01-01

    This paper studies the ground states of atoms and molecules in quantum mechanics and reports on some mathematically rigourous results pertaining to the matter. The non-relativistic Hamiltonian for a molecule in the static nucleus approximation is presented along with notations

  2. Transportation properties of amorphous state InSb and its metastable middle phase

    International Nuclear Information System (INIS)

    Cao Xiaowen

    1990-09-01

    The variation of the substrate temperature induces the metal-semiconductor transition in the condensation InSb films at low temperatrue. The electron conduction is dominant in the metal-type amorphous InSb and the hole in semiconductor-type one. In the metal-type amorphous InSb the electron-electron is correlated under the field above 0.1T in the temperature region of liquid nitrogen. The structure relaxation leads to not only the increase of the short range order but also the change of electron structure in metal-type amorphous InSb. The first conductance jump originates mainly from the increase of Hall mobility of the carrier, i.e. the increase of the short range order, and the system relaxes from the liquid-like to the lattice-like amorphous state. The three types of the crystallization phase transition for the metal-type amorphous InSb present obviously different transportation behaviours. Both metal-type amorphous state and metastable middle phase of InSb all are one of superconducting system with the lowest carrier concentration (n 0 ∼10 18 cm -3 ). Superconducting T c of the metastable middle phase is related to the state density near Fermi surface, i.e. the higher T c corresponds to the higher state density. The quasi-two-dimensional structure is favourable to superconductivity

  3. Geotechnical properties of deep-ocean sediments: a critical state approach

    International Nuclear Information System (INIS)

    Ho, E.W.L.

    1988-11-01

    The possible disposal of high-level radioactive waste using the sediments of the deep-ocean floor as repositories has initiated research to establish an understanding of the fundamental behaviour of deep-ocean sediments. The work described in this thesis consisted of a series of triaxial stress path tests using microcomputer controlled hydraulic triaxial cells to investigate the strength and stress-strain behaviour for mainly anisotropically (K o ) consolidated 'undisturbed' (tubed) and reconstituted specimens of deep-ocean sediments taken from two study areas in the North Atlantic Ocean. The test results have been analysed within the framework of critical state soil mechanics to investigate sediment characteristics such as the state boundary surface, drained and undrained strength and stress-strain behaviour. While marked anisotropic behaviour is found in a number of respects, the results indicate that analysis in a critical state framework is as valid as for terrestrial sediments. Differences in behaviour between tubed and reconstituted specimens have been observed and the effect of the presence of carbonate has been investigated. An attempt has been made to develop an elasto-plastic constitutive K o model based on critical state concepts. This model has been found to agree reasonably well with experimental data for kaolin and deep-ocean sediments. (author)

  4. Spectroscopic properties of a self-assembled zinc porphyrin tetramer I. Steady state optical spectroscopy

    NARCIS (Netherlands)

    Yatskou, M.M.; Koehorst, R.B.M.; Donker, H.; Schaafsma, T.J.

    2001-01-01

    Aggregation of zinc mono-(4-pyridyl)-triphenylporphyrin (ZnPyP) in toluene and polystyrene/toluene mixtures has been investigated by steady-state optical spectroscopy. The Q-band absorption spectra, as well as the fluorescence spectra, show a temperature-dependent red shift as a result of ligation

  5. Excited-state properties of the 16 kDa red carotenoid protein from Arthrospira maxima

    Czech Academy of Sciences Publication Activity Database

    Chábera, P.; Durchan, Milan; Shih, P.M.; Kerfeld, C.A.; Polívka, Tomáš

    2011-01-01

    Roč. 1807, č. 1 (2011), s. 30-35 ISSN 0005-2728 Institutional research plan: CEZ:AV0Z50510513 Keywords : cyanobacteria * carotenoid * excited-state Subject RIV: BO - Biophysics Impact factor: 4.843, year: 2011

  6. Uniqueness of Gibbs states and global Markov property for Euclidean fields

    International Nuclear Information System (INIS)

    Albeverio, S.; Hoeegh-Krohn, R.

    1981-01-01

    The authors briefly discuss the proof of the uniqueness of solutions of the DLR equations (uniqueness of Gibbs states) in the class of regular generalized random fields (in the sense of having second moments bounded by those of some Euclidean field), for the Euclidean fields with trigonometric interaction. (Auth.)

  7. 26 CFR 20.2105-1 - Estates of nonresidents not citizens; property without the United States.

    Science.gov (United States)

    2010-04-01

    ... death. This paragraph applies whether or not (1) the obligation is in fact interest bearing, (2) the... the time of his death is considered to be situated outside the United States if it is— (a)(1) Real... death of the owner, on exhibition, or en route to or from exhibition, in such a public gallery or museum...

  8. Solar Photovoltaic Financing: Deployment on Public Property by State and Local Governments

    Energy Technology Data Exchange (ETDEWEB)

    Cory, K.; Coughlin, J.; Coggeshall, C.

    2008-05-01

    State and local governments have grown increasingly aware of the economic, environmental, and societal benefits of taking a lead role in U.S. implementation of renewable energy, particularly distributed photovoltaic (PV) installations. Recently, solar energy's cost premium has declined as a result of technology improvements and an increase in the cost of traditional energy generation. At the same time, a nationwide public policy focus on carbon-free, renewable energy has created a wide range of financial incentives to lower the costs of deploying PV even further. These changes have led to exponential increases in the availability of capital for solar projects, and tremendous creativity in the development of third-party ownership structures. As significant users of electricity, state and local governments can be an excellent example for solar PV system deployment on a national scale. Many public entities are not only considering deployment on public building rooftops, but also large-scale applications on available public lands. The changing marketplace requires that state and local governments be financially sophisticated to capture as much of the economic potential of a PV system as possible. This report examines ways that state and local governments can optimize the financial structure of deploying solar PV for public uses.

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

    Indian Academy of Sciences (India)

    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.

  10. Properties of the {sup 7}He ground state from {sup 8}He neutron knockout

    Energy Technology Data Exchange (ETDEWEB)

    Aksyutina, Yu. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); Johansson, H.T. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); Aumann, T.; Boretzky, K. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Borge, M.J.G. [Instituto Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Chatillon, A. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Chulkov, L.V. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Kurchatov Institute, RU-123182 Moscow (Russian Federation); Cortina-Gil, D. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); University of Santiago de Compostela, 15706 Santiago de Compostela (Spain); Pramanik, U. Datta [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Emling, H. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Forssen, C. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); Fynbo, H.O.U. [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Geissel, H.; Ickert, G. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Jonson, B. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden)], E-mail: bjn@fy.chalmers.se; Kulessa, R. [Instytut Fizyki, Universytet Jagiellonski, PL-30-059 Krakow (Poland); Langer, C. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Lantz, M. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); LeBleis, T. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, D-64291 Darmstadt (Germany); Lindahl, A.O. [Institutionen foer Fysik, University of Gothenburg, S-412 96 Goeteborg (Sweden)] (and others)

    2009-08-24

    The unbound nucleus {sup 7}He, produced in neutron-knockout reactions with a 240 MeV/u {sup 8}He beam in a liquid-hydrogen target, has been studied in an experiment at the ALADIN-LAND setup at GSI. From an R-matrix analysis the resonance parameters for {sup 7}He as well as the spectroscopic factor for the {sup 6}He(0{sup +}) + n configuration in its ground-state have been obtained. The spectroscopic factor is 0.61 confirming that {sup 7}He is not a pure single-particle state. An analysis of {sup 5}He data from neutron-knockout reactions of {sup 6}He in a carbon target reveals the presence of an s-wave component at low energies in the {alpha}+n relative energy spectrum. A possible low-lying exited state in {sup 7}He observed in neutron knockout data from {sup 8}He in a carbon target and tentatively interpreted as a I{sup {pi}}=1/2{sup -} state, could not be observed in the present experiment. Possible explanations of the shape difference between the {sup 7}He resonance obtained in the two knockout reactions are discussed in terms of target-dependence or different reaction mechanisms at relativistic energies.

  11. States in [sup 12]B and primordial nucleosynthesis. Pt. 2; Resonance properties and astrophysical aspects

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Z Q [Dept. of Physics, Princeton Univ., NJ (United States); Vogelaar, R B [Dept. of Physics, Princeton Univ., NJ (United States); Champagne, A E [Dept. of Physics and Astronomy, Univ. of North Carolina, Chapel Hill, NC (United States) Triangle Univs. Nuclear Lab., Duke Univ., Durham, NC (United States); Blackmon, J C [Dept. of Physics and Astronomy, Univ. of North Carolina, Chapel Hill, NC (United States) Triangle Univs. Nuclear Lab., Duke Univ., Durham, NC (United States); Das, R K [Dept. of Physics and Astronomy, Univ. of North Carolina, Chapel Hill, NC (United States) Triangle Univs. Nuclear Lab., Duke Univ., Durham, NC (United States); Hahn, K I [A.W. Wright Nuclear Structure Lab., Yale Univ., New Haven, CT (United States); Yuan, J [Inst. of Atomic Energy, Beijing, BJ (China)

    1994-01-10

    The [sup 9]Be([alpha],p)[sup 12]B has been used to populate states which could correspond to astrophysically significant resonances in the [sup 8]Li([alpha],n)[sup 11]B reaction. The branching ratios for neutron decays have been measured and the neutron angular distributions have been used to determine J[sup [pi

  12. Properties of Ni-Mo steel prepared from premixed and prealloyed powder in sintered, forged and annealed state

    International Nuclear Information System (INIS)

    Salak, A.; Hrubjak, M.

    Investigated were 2Ni-0.5Mo steel specimens made of premixed powder on the base of Hametag iron and of ATST-A prealloyed powder with graphite additives of 0.3% and 0.8%. In the sintered and forged state, specimens prepared from premixed powder exhibit better strength properties compared with those made of prealloyed ATST-A powder. After annealing, the carbon content has a different bearing on both systems. With premixed powder steel of 0.6% carbon content the tensile strength amounts to 1,800 MPa whilst that of prealloyed steel specimens with 0.2% carbon content is about 1,240 MPa. (author)

  13. Properties of SYNROC C nuclear-waste form: a state-of-the-art review

    International Nuclear Information System (INIS)

    Oversby, V.M.

    1982-09-01

    SYNROC C is a titanate ceramic waste form designed to contain the waste generated by the reprocessing of commercial nuclear reactor fuel. The properties of SYNROC C are described with particular emphasis on the distribution of chemical elements in SYNROC, the fabrication of good quality specimens, and the chemical durability of SYNROC. Data obtained from testing of natural mineral analogues of SYNROC minerals are briefly discussed. The information available on radiation effects in SYNROC in relation to structural alteration and changes in chemical durability are summarized. 26 references, 2 figures, 18 tables

  14. Comparison of the SRK and CPA equations of state for physical properties of water and methanol

    DEFF Research Database (Denmark)

    Lundstrøm, Carsten; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2006-01-01

    produced together with water, properties of water and additives like methanol and glycol is another target area. Being more polar than hydrocarbons, water, alcohols and glycols may require more advanced models for example an association model like CPA (CubicPlus-Association). This type of model has...... previously been found to be well suited for phase equilibrium calculations on mixtures of hydrocarbons and polar compounds. In this work, SRK (with and without Peneloux volume correction) and CPA are compared for pure water, pure methanol and water-methanol binary mixtures with the purpose of evaluating...

  15. Controlling steady-state and dynamical properties of atomic optical bistability

    CERN Document Server

    Joshi, Amitabh

    2012-01-01

    This book provides a comprehensive introduction to the theoretical and experimental studies of atomic optical bistability and multistability, and their dynamical properties in systems with two- and three-level inhomogeneously-broadened atoms inside an optical cavity. By making use of the modified linear absorption and dispersion, as well as the greatly enhanced nonlinearity in the three-level electromagnetically induced transparency system, the optical bistablity and efficient all-optical switching can be achieved at relatively low laser powers, which can be well controlled and manipulated. Un

  16. Electronic structure and equation of state of Sm2Co17 from first-principles DFT+ U

    Science.gov (United States)

    Huang, Patrick; Butch, Nicholas P.; Jeffries, Jason R.; McCall, Scott K.

    2013-03-01

    Rare-earth intermetallics have important applications as permanent magnet materials, and the rational optimization of their properties would benefit greatly from guidance from ab initio modeling. However, these systems are particularly challenging for current electronic structure methods. Here, we present an ab initio study of the prototype material Sm2Co17 and related compounds, using density functional theory with a Hubbard correction for the Sm 4 f-electrons (DFT+ U method) and ultrasoft pseudopotentials. The Hubbard U parameter is derived from first principles [Cococcioni and de Gironcoli, PRB 71, 035105 (2005)], not fit to experiment. Our calculations are in good agreement with recent photoemission measurements at ambient pressure and the equation of state up to 40 GPa, thus supporting the validity of our DFT+ U model. Prepared by LLNL under Contract DE-AC52-07NA27344.

  17. Nanocomposites based on epoxy resin and montmorillonite: effect of clay percent and dispersion state on thermomechanical properties

    International Nuclear Information System (INIS)

    Zaioncz, Soraia; Soares, Bluma G.

    2009-01-01

    Nanocomposites of epoxy resin modified with PMMA and montmorillonite organophilic were synthesized with clay content equal to 0.1, 1, 2.5, 5 and 7 (wt %). Dispersion state and the nano structure of materials has been investigated using small angle X-ray scattering (SAXS). The nanocomposites containing 0.1 (wt %) of clay showed an exfoliated morphology, while the nanocomposites with higher clay content (1 to 7 wt %) show that the dispersion state is less uniform and that large aggregates coexist with tactoids stacks of two or three platelets. The nano structure of materials was correlated with its thermomechanical properties obtained by DMTA. The results showed an increase in Tg of the materials to clay content of up to 5 wt % and an increase in the storage modulus for the epoxy matrix. (author)

  18. Magnetic properties of κ-(MDTTTF)2AuI2 salt in the normal and superconducting states

    International Nuclear Information System (INIS)

    Delhaes, P.; Amiell, J.; Flandrois, S.; Ducasse, L.; Fritsch, A.; Hilti, B.; Mayer, C.W.; Zambounis, J.; Papavassiliou, G.C.

    1990-01-01

    We have investigated the magnetic properties (ESR, static susceptibility and magnetization experiments) of the new organic superconductor κ-(MDTTTF) 2 AuI 2 above and below the SC phase transition temperature (T c ≥ 4 K). At ambient pressure the electronic structures of this salt and of two related compounds κ-(BEDT) 2 Cu(SCN) 2 and κ-(BEDT) 2 Ag(CN) 2 , H 2 O have been calculated using an extended Huckel method. The analysis of both experimental results and calculated data has led us to propose a unified picture independently of the present molecular blocks. Finally the problem of the competition between the SC and AF low-temperature states which is based on the experimental evidences of electronic correlations has been examined. However, in the absence of any experimental evidence of an AF state, the origin of the electron pairing is still unclear in these quasi 2d materials

  19. Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study.

    Science.gov (United States)

    Arhangelskis, Mihails; Eddleston, Mark D; Reid, David G; Day, Graeme M; Bučar, Dejan-Krešimir; Morris, Andrew J; Jones, William

    2016-07-11

    Fluorescein is known to exist in three tautomeric forms defined as quinoid, zwitterionic, and lactoid. In the solid state, the quinoid and zwitterionic forms give rise to red and yellow materials, respectively. The lactoid form has not been crystallized pure, although its cocrystal and solvate forms exhibit colors ranging from yellow to green. An explanation for the observed colors of the crystals is found using a combination of UV/Vis spectroscopy and plane-wave DFT calculations. The role of cocrystal coformers in modifying crystal color is also established. Several new crystal structures are determined using a combination of X-ray and electron diffraction, solid-state NMR spectroscopy, and crystal structure prediction (CSP). The protocol presented herein may be used to predict color properties of materials prior to their synthesis. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  20. Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

    Science.gov (United States)

    Dennison, J. R.; Thomson, C. D.; Kite, J.; Zavyalov, V.; Corbridge, Jodie

    2004-01-01

    In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further

  1. Mechanical properties and environmental effects of epoxy resins in the neat state and in composites

    International Nuclear Information System (INIS)

    Yang, C.M.P.

    1984-01-01

    The dynamic mechanical properties of graphite fiber reinforced, epoxy matrix composite laminates subjected to loading perpendicular to the plane of lamination and of neat epoxy resin are reported. The centrosymmetric deformation (CSD) test geometry provides an accurate and convenient test mode for the study of the viscoelastic behavior of very stiff graphite-epoxy laminates. It is found that the in-phase and out-of-phase stiffness superpose to form master curves covering a frequency range of 12 decades. By a suitable scaling procedure of the master curves, it is found that the in-phase stiffness has the same shape and the out-of-phase has the same dispersion for all laminates irrespective of the stacking sequence. The dispersion characteristics of in-situ and neat resin epoxy were nearly identical, but with the neat resin having a lower glass-transition temperature. The graphite/epoxy composites and neat resin epoxy have been shown to be sensitive to hygrothermal environment. For postcured specimens the plasticization and inhomogeneous swelling effects due to the moisture absorbed are found to be reversible, in the sense that the initially dry properties of the laminate are recovered after redrying the wet specimen. On the other hand, for as cured specimens, the plasticization and inhomogeneous swelling effects are found to be irreversible under the same hygrothermal environment

  2. Structural and optical properties of solid-state synthesized Au dendritic structures

    International Nuclear Information System (INIS)

    Gentile, A.; Ruffino, F.; Romano, L.; Boninelli, S.; Reitano, R.; Piccitto, G.; Grimaldi, M.G.

    2014-01-01

    Graphical abstract: - Highlights: • Au dendritic structures were produced on surfaces. • The chemical and structural properties of the dendritic structures are presented. • The optical properties of the dendritic structures are presented. • The ability of the dendritic structures to serve as light scattering centers is presented. - Abstract: Au dendrites (Au Ds) are synthesized, on various substrates, by a simple physical methodology involving the deposition of a thin Au film on a Si surface followed by thermal processes at high temperatures (>1273 K) in an inert ambient (N 2 ), using fast heating and cooling rates (1273 K/min). Microscopic analyses reveal the evolution, thanks to the thermal processes, of the Au film from a continuous coating to dendritic structures covering the entire sample surface. In particular, transmission electron microscopy analyses indicate that, below the Au surface, the dendritic structures consist of Si atoms originating from the substrate. Furthermore, optical characterizations reveal the ability of the Au Ds to serve as scattering centers in the infrared region. Finally, on the basis of the experimental observations, a phenomenological model for the growth of the Au Ds is proposed

  3. Probing the nuclear equation of state by heavy-ion reactions and neutron star properties

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, P K; Cassing, W; Thoma, M H [Inst. fuer Theoretische Physik, Univ. Giessen (Germany)

    1998-06-01

    We discuss the nuclear equation of state (EOS) using a non-linear relativistic transport model. From the baryon flow for Ni + Ni as well as Au + Au systems we find that the strength of the vector potential has to be reduced at high density or at high relative momenta to describe the experimental flow data at 1-2 A GeV. We use the same dynamical model to calculate the nuclear EOS and then employ this EOS to neutron star structure calculations. We consider the core of the neutron star to be composed of neutrons with an admixture of protons, electrons, muons, sigmas and lambdas at zero temperature. We find that the nuclear equation of state is softer at high densities and hence the maximum mass and the radius of the neutron star are in the observable range of M {proportional_to} 1.7 M{sub s}un and R = 8 km, respectively. (orig.)

  4. Spectral properties of minimal-basis-set orbitals: Implications for molecular electronic continuum states

    Science.gov (United States)

    Langhoff, P. W.; Winstead, C. L.

    Early studies of the electronically excited states of molecules by John A. Pople and coworkers employing ab initio single-excitation configuration interaction (SECI) calculations helped to simulate related applications of these methods to the partial-channel photoionization cross sections of polyatomic molecules. The Gaussian representations of molecular orbitals adopted by Pople and coworkers can describe SECI continuum states when sufficiently large basis sets are employed. Minimal-basis virtual Fock orbitals stabilized in the continuous portions of such SECI spectra are generally associated with strong photoionization resonances. The spectral attributes of these resonance orbitals are illustrated here by revisiting previously reported experimental and theoretical studies of molecular formaldehyde (H2CO) in combination with recently calculated continuum orbital amplitudes.

  5. On a structural property in the state complexity of projected regular languages

    Czech Academy of Sciences Publication Activity Database

    Jirásková, G.; Masopust, Tomáš

    2012-01-01

    Roč. 449, Aug 31 (2012), s. 93-105 ISSN 0304-3975 R&D Projects: GA ČR(CZ) GPP202/11/P028 Institutional research plan: CEZ:AV0Z10190503 Institutional support: RVO:67985840 Keywords : projections * state complexity * descriptional complexity Subject RIV: BA - General Mathematics Impact factor: 0.489, year: 2012 http://www.sciencedirect.com/science/article/pii/S0304397512003532

  6. ``New'' energy states lead to phonon-less optoelectronic properties in nanostructured silicon

    Science.gov (United States)

    Singh, Vivek; Yu, Yixuan; Korgel, Brian; Nagpal, Prashant

    2014-03-01

    Silicon is arguably one of the most important technological material for electronic applications. However, indirect bandgap of silicon semiconductor has prevented optoelectronic applications due to phonon assistance required for photon light absorption/emission. Here we show, that previously unexplored surface states in nanostructured silicon can couple with quantum-confined energy levels, leading to phonon-less exciton-recombination and photoluminescence. We demonstrate size dependence (2.4 - 8.3 nm) of this coupling observed in small uniform silicon nanocrystallites, or quantum-dots, by direct measurements of their electronic density of states and low temperature measurements. To enhance the optical absorption of the these silicon quantum-dots, we utilize generation of resonant surface plasmon polariton waves, which leads to several fold increase in observed spectrally-resolved photocurrent near the quantum-confined bandedge states. Therefore, these enhanced light emission and absorption enhancement can have important implications for applications of nanostructured silicon for optoelectronic applications in photovoltaics and LEDs.

  7. Structure/property relations of aluminum under varying rates and stress states

    Energy Technology Data Exchange (ETDEWEB)

    Tucker, Matthew T [Los Alamos National Laboratory; Horstemeyer, Mark F [MISSISSIPPI STATE UNIV; Whittington, Wilburn R [MISSISSIPPI STATE UNIV; Solanki, Kiran N [MISSISSIPPI STATE UNIV.

    2010-11-19

    In this work we analyze the plasticity, damage, and fracture characteristics of three different processed aluminum alloys (rolled 5083-H13, cast A356-T6, and extruded 6061-T6) under varying stress states (tension, compression, and torsion) and strain rates (0.001/, 1/s., and 1000/s). The stress state difference had more of a flow stress effect than the applied strain rates for those given in this study (0.001/sec up to 1000/sec). The stress state and strain rate also had a profound effect on the damage evolution of each aluminum alloy. Tension and torsional straining gave much greater damage nucleation rates than compression. Although the damage of all three alloys was found to be void nucleation dominated, the A356-T6 and 5083-H131 aluminum alloys incurred void damage via micron scale particles where the 6061-T6 aluminum alloy incurred void damage from two scales, micron-scale particles and nanoscale precipitates. Having two length scales of particles that participated in the damage evolution made the 6061-T6 incur a strain rate sensitive damage rate that was different than the other two aluminum alloys. Under tension, as the strain rate increased, the 6061-T6 aluminum alloy's void nucleation rate decreased, but the A356-T6 and 5083-H131 aluminum alloys void nucleation rate increased.

  8. Excited States and Photodebromination of Selected Polybrominated Diphenyl Ethers: Computational and Quantitative Structure—Property Relationship Studies

    Directory of Open Access Journals (Sweden)

    Jin Luo

    2015-01-01

    Full Text Available This paper presents a density functional theory (DFT/time-dependent DFT (TD-DFT study on the lowest lying singlet and triplet excited states of 20 selected polybrominateddiphenyl ether (PBDE congeners, with the solvation effect included in the calculations using the polarized continuum model (PCM. The results obtained showed that for most of the brominated diphenyl ether (BDE congeners, the lowest singlet excited state was initiated by the electron transfer from HOMO to LUMO, involving a π–σ* excitation. In triplet excited states, structure of the BDE congeners differed notably from that of the BDE ground states with one of the specific C–Br bonds bending off the aromatic plane. In addition, the partial least squares regression (PLSR, principal component analysis-multiple linear regression analysis (PCA-MLR, and back propagation artificial neural network (BP-ANN approaches were employed for a quantitative structure-property relationship (QSPR study. Based on the previously reported kinetic data for the debromination by ultraviolet (UV and sunlight, obtained QSPR models exhibited a reasonable evaluation of the photodebromination reactivity even when the BDE congeners had same degree of bromination, albeit different patterns of bromination.

  9. Chemical states and electronic properties of the interface between aluminium and a photoluminescent conjugated copolymer containing europium complex

    International Nuclear Information System (INIS)

    Cai, Q.J.; Ling, Q.D.; Li, S.; Zhu, F.R.; Huang, Wei; Kang, E.T.; Neoh, K.G.

    2004-01-01

    The chemical states and electronic properties of the interface between thermally evaporated aluminium and a photoluminescent conjugated copolymer containing 9,9'-dihexylfluorene and europium complex-chelated benzoate units in the main chain (PF6-Eu(dbm) 2 phen) were studied in situ by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). The changes in C 1s, Eu 3d, N 1s, and Al 2p core-level lineshapes with progressive deposition of aluminium atoms were carefully monitored. Aluminium was found to interact with the conjugated backbone of the copolymer to form the Al carbide, Al-O-C complex, and Al(III)-N chelate at the interface. In addition, the europium ions were reduced to the metallic state by the deposited aluminium atoms, which were oxidized and chelated by the 1,10-phenanthroline ligands (phen). The changes in chemical states at the interface suggest that the intramolecular energy transfer process in this copolymer had been affected. Moreover, aluminium also interacted with the bulk-adsorbed oxygen, which migrates to the surface in response to the deposition of aluminium atoms, to form a layer of metal oxides. On the other hand, the evolution of the UPS spectra suggests that the π-states of the conjugated system were affected and an unfavorable dipole layer was induced by the deposited aluminium atoms

  10. Effect of sea breeze circulation on aerosol mixing state and radiative properties in a desert setting

    Directory of Open Access Journals (Sweden)

    Y. Derimian

    2017-09-01

    Full Text Available Chemical composition, microphysical, and optical properties of atmospheric aerosol deep inland in the Negev Desert of Israel are found to be influenced by daily occurrences of sea breeze flow from the Mediterranean Sea. Abrupt increases in aerosol volume concentration and shifts of size distributions towards larger sizes, which are associated with increase in wind speed and atmospheric water content, were systematically recorded during the summertime at a distance of at least 80 km from the coast. Chemical imaging of aerosol samples showed an increased contribution of highly hygroscopic particles during the intrusion of the sea breeze. Besides a significant fraction of marine aerosols, the amount of internally mixed marine and mineral dust particles was also increased during the sea breeze period. The number fraction of marine and internally mixed particles during the sea breeze reached up to 88 % in the PM1–2. 5 and up to 62 % in the PM2. 5–10 size range. Additionally, numerous particles with residuals of liquid coating were observed by SEM/EDX analysis. Ca-rich dust particles that had reacted with anthropogenic nitrates were evidenced by Raman microspectroscopy. The resulting hygroscopic particles can deliquesce at very low relative humidity. Our observations suggest that aerosol hygroscopic growth in the Negev Desert is induced by the daily sea breeze arrival. The varying aerosol microphysical and optical characteristics perturb the solar and thermal infrared radiations. The changes in aerosol properties induced by the sea breeze, relative to the background situation, doubled the shortwave radiative cooling at the surface (from −10 to −20.5 W m−2 and increased by almost 3 times the warming of the atmosphere (from 5 to 14 W m−2, as evaluated for a case study. Given the important value of observed liquid coating of particles, we also examined the possible influence of the particle homogeneity assumption on the

  11. Systematical calculations on the ground state properties of heavy and superheavy nuclei

    International Nuclear Information System (INIS)

    Ren, Z.Z.; Center of Theoretical Nuclear Physics, Lanzhou; Mao, Y.C.; Zhi, Q.J.; Xu, C.; Dong, T.K.

    2007-01-01

    The synthesis of superheavy elements is now a hot topic in nuclear physics. Alpha-decay and spontaneous fission are two main decay modes in heavy and superheavy regions. Theoretical studies on alpha radioactivity and spontaneous fission can provide useful information for experiments. We investigate the alpha-decay and spontaneous fission of heavy and superheavy nuclei with different models. This includes the alpha-decay energies, alpha decay half-lives, and half-lives of spontaneous fission. The theoretical alpha-decay half-lives are in good agreement with experimental ones. The calculated half-lives of spontaneous fission are in reasonable agreement with present data. The properties of unknown nuclei are predicted. (author)

  12. Solid-state properties and dissolution behaviour of tablets containing co-amorphous indomethacin-arginine

    DEFF Research Database (Denmark)

    Lenz, Elisabeth; Jensen, Katrine Birgitte Tarp; Blaabjerg, Lasse Ingerslev

    2015-01-01

    –arginine in a larger production scale. In this work, a tablet formulation was developed for a co-amorphous salt, namely spray dried indomethacin–arginine (SD IND–ARG). The effects of compaction pressure on tablet properties, physical stability and dissolution profiles under non-sink conditions were examined....... Dissolution profiles of tablets with SD IND–ARG (TAB SD IND–ARG) were compared to those of tablets containing a physical mixture of crystalline IND and ARG (TAB PM IND–ARG) and to the dissolution of pure spray dried powder. Concerning tableting, the developed formulation allowed for the preparation of tablets...... with a broad range of compaction pressures resulting in different porosities and tensile strengths. XRPD results showed that, overall, no crystallization occurred neither during tableting nor during long-term storage. Dissolution profiles of TAB SD IND–ARG showed an immediate release of IND by erosion...

  13. Photoluminescence properties of Gd_2O_3:Eu"3"+ for solid state lighting

    International Nuclear Information System (INIS)

    Ukare, R.S.; Zade, G.D.; Dhoble, S.J.

    2016-01-01

    We synthesized Gd_2O_3 doped europium (III) (1 m%) nanophosphors using the precipitation method and combustion method. The synthesized nanophosphors were characterized by X-ray diffraction (XRD) and SEM techniques. The optical properties of the synthesized nanophosphors were investigated by photoluminescence spectroscopy. The XRD patterns of Gd_2O_3 revealed formation of desired cubic phase by both methods. The XRD of nanophosphors synthesized by both methods were highly consistent with standard JCPDS file of Gd_2O_3 indicating no structural change with incorporation of the Eu"3"+ ions in the Gd_2O_3 matrix. Both XRD and SEM result confirms the particle size of prepared sample in nanometer range. The phosphor could be effectively excited by near UV at 395 nm. The Eu"3"+ doping of Gd_2O_3 produced red luminescence around 613 nm. The stimulated CIE chromaticity coordinates were also calculated. (author)

  14. Electronic and thermodynamic properties of the transition between metallic and nonmetallic states in dense media

    International Nuclear Information System (INIS)

    Fortin, Xavier

    1971-01-01

    The effects of thermal excitation are introduced in the study of a simple electronic structure model for condensed media. The choice of a particle-interaction potential leads to a self-consistent calculation performed on a computer. This calculation gives a metal - nonmetal transition similar to the MOTT transition. We consider the effects of temperature and density variations upon this transition. It is possible to make use of this electronic structure to obtain the thermodynamic properties near the transition: pressure, free energy, sound velocity. The numerical results of this simple model are satisfactory. Particularly, if a dielectric constant is taken into account, the transition temperature and density are of the same order of magnitude as those observed experimentally in semiconductors. (author) [fr

  15. Solid-state studies and antioxidant properties of the γ-cyclodextrin·fisetin inclusion compound.

    Science.gov (United States)

    Pais, Joana M; Barroca, Maria João; Marques, Maria Paula M; Almeida Paz, Filipe A; Braga, Susana S

    2017-01-01

    Fisetin is a natural antioxidant with a wide range of nutraceutical properties, including antidiabetic, neuroprotecting, and suppression or prevention of tumors. The present work describes the preparation of a water-soluble, solid inclusion compound of fisetin with gamma-cyclodextrin (γ-CD), a cyclic oligosaccharide approved for human consumption. A detailed physicochemical analysis of the product is carried out using elemental analysis, powder X-ray diffraction (PXRD), Raman, infrared and 13 C{ 1 H} CP-MAS NMR spectroscopies, and thermal analysis (TGA) to verify fisetin inclusion and to present a hypothetical structural arrangement for the host-guest units. The antioxidant activity of the γ-CD·fisetin inclusion compound is evaluated by the DPPH assay.

  16. Solid-state studies and antioxidant properties of the γ-cyclodextrin·fisetin inclusion compound

    Directory of Open Access Journals (Sweden)

    Joana M. Pais

    2017-10-01

    Full Text Available Fisetin is a natural antioxidant with a wide range of nutraceutical properties, including antidiabetic, neuroprotecting, and suppression or prevention of tumors. The present work describes the preparation of a water-soluble, solid inclusion compound of fisetin with gamma-cyclodextrin (γ-CD, a cyclic oligosaccharide approved for human consumption. A detailed physicochemical analysis of the product is carried out using elemental analysis, powder X-ray diffraction (PXRD, Raman, infrared and 13C{1H} CP-MAS NMR spectroscopies, and thermal analysis (TGA to verify fisetin inclusion and to present a hypothetical structural arrangement for the host–guest units. The antioxidant activity of the γ-CD·fisetin inclusion compound is evaluated by the DPPH assay.

  17. Solid state characterization and rheological properties of native and modified Bambara groundnut (Vigna subterranean starches

    Directory of Open Access Journals (Sweden)

    Michael Odeniyi

    2017-09-01

    Full Text Available This study was designed to determine the suitability of native, pregelatinized and carboxymethylated Vigna subterranean (Bambara nut starches for pharmaceutical applications, through their characterization by means of physicochemical, rheological, thermal, morphological and instrumental spectroscopic methods. The native starch was extracted from Bambara nut, after which it was used to prepare both pregelatinized and carboxymethylated forms. Microscopy revealed increased in granular size on modification. Both pregelatinized and carboxymethylated Bambara starches had better flow properties and swellability compared to the native starch. Native Bambara starch had greater tendency to retrogradation, was more sensitive to heat and heat change, these were alleviated by both pregelatinization and carboxymethylation. DSC confirmed that carboxymethylated Bambara starch was the most thermally stable starch. Presence of functional groups and crystallinity were established by FTIR and XRD, respectively. Native and modified Bambara starches can be used as locally and readily available alternative excipients in pharmaceutical formulations.

  18. Solid-state synthesis, structural and magnetic properties of CoPd films

    Science.gov (United States)

    Myagkov, V. G.; Bykova, L. E.; Zhigalov, V. S.; Tambasov, I. A.; Bondarenko, G. N.; Matsynin, A. A.; Rybakova, A. N.

    2015-05-01

    The results of the investigation of the structural and magnetic properties of CoPd films with equiatomic composition have been presented. The films have been synthesized by vacuum annealing of polycrystalline Pd/Co and epitaxial Pd/α-Co(110) and Pd/β-Co(001) bilayer samples. It has been shown that, for all samples, the annealing to 400°C does not lead to the mixing of layers and the formation of compounds. A further increase in the annealing temperature results in the formation of a disordered CoPd phase at the Pd/Co interface, which is fully completed after annealing at 650°C. The epitaxial relationships between the disordered CoPd phase and the MgO(001) substrate are determined as follows: CoPd(110)<

  19. Field measurements of hygroscopic properties and state of mixing of nucleation mode particles

    Directory of Open Access Journals (Sweden)

    M. Väkevä

    2002-01-01

    Full Text Available An Ultrafine Tandem Differential Mobility Analyser (UF-TDMA has been used in several field campaigns over the last few years. The investigations were focused on the origin and properties of nucleation event aerosols, which are observed frequently in various environments. This paper gives a summary of the results of 10 nm and 20 nm particle hygroscopic properties from different measurement sites: an urban site, an urban background site and a forest site in Finland and a coastal site in western Ireland. The data can be classified in four hygroscopic growth classes: hydrofobic, less-hygroscopic, more-hygroscopic and sea-salt. Similar classification has been earlier presented for Aitken and accumulation mode particles. In urban air, the summertime 10 nm particles showed varying less-hygroscopic growth behaviour, while winter time 10 nm and 20 nm particles were externally mixed with two different hygroscopic growth modes. The forest measurements revealed diurnal behaviour of hygroscopic growth, with high growth factors at day time and lower during night. The urban background particles had growth behaviour similar to the urban and forest measurement sites depending on the origin of the observed particles. The coastal measurements were strongly affected by air mass history. Both 10 nm and 20 nm particles were hygroscopic in marine background air. The 10 nm particles produced during clean nucleation burst periods were hydrofobic. Diurnal variation and higher growth factors of 10 nm particles were observed in air affected by other source regions. External mixing was occasionally observed at all the sites, but incidents with more than two growth modes were extremely rare.

  20. Thermodynamic properties by equation of state and from Ab initio molecular dynamics of liquid potassium under pressure

    Science.gov (United States)

    Li, Huaming; Tian, Yanting; Sun, Yongli; Li, Mo; Nonequilibrium materials; physics Team; Computational materials science Team

    In this work, we apply a general equation of state of liquid and Ab initio molecular-dynamics method to study thermodynamic properties in liquid potassium under high pressure. Isothermal bulk modulus and molar volume of molten sodium are calculated within good precision as compared with the experimental data. The calculated internal energy data and the calculated values of isobaric heat capacity of molten potassium show the minimum along the isothermal lines as the previous result obtained in liquid sodium. The expressions for acoustical parameter and nonlinearity parameter are obtained based on thermodynamic relations from the equation of state. Both parameters for liquid potassium are calculated under high pressure along the isothermal lines by using the available thermodynamic data and numeric derivations. Furthermore, Ab initio molecular-dynamics simulations are used to calculate some thermodynamic properties of liquid potassium along the isothermal lines. Scientific Research Starting Foundation from Taiyuan university of Technology, Shanxi Provincial government (``100-talents program''), China Scholarship Council and National Natural Science Foundation of China (NSFC) under Grant No. 51602213.

  1. Pyrene Molecular Orbital Shuffle-Controlling Excited State and Redox Properties by Changing the Nature of the Frontier Orbitals.

    Science.gov (United States)

    Merz, Julia; Fink, Julian; Friedrich, Alexandra; Krummenacher, Ivo; Al Mamari, Hamad H; Lorenzen, Sabine; Haehnel, Martin; Eichhorn, Antonius; Moos, Michael; Holzapfel, Marco; Braunschweig, Holger; Lambert, Christoph; Steffen, Andreas; Ji, Lei; Marder, Todd B

    2017-09-21

    We show that by judicious choice of substituents at the 2- and 7-positions of pyrene, the frontier orbital order of pyrene can be modified, giving enhanced control over the nature and properties of the photoexcited states and the redox potentials. Specifically, we introduced a julolidine-like moiety and Bmes 2 (mes=2,4,6-Me 3 C 6 H 2 ) as very strong donor (D) and acceptor (A), respectively, giving 2,7-D-π-D- and unsymmetric 2,7-D-π-A-pyrene derivatives, in which the donor destabilizes the HOMO-1 and the acceptor stabilizes the LUMO+1 of the pyrene core. Consequently, for 2,7-substituted pyrene derivatives, unusual properties are obtained. For example, very large bathochromic shifts were observed for all of our compounds, and unprecedented green light emission occurs for the D/D system. In addition, very high radiative rate constants in solution and in the solid state were recorded for the D-π-D- and D-π-A-substituted compounds. All compounds show reversible one-electron oxidations, and Jul 2 Pyr exhibits a second oxidation, with the largest potential splitting (ΔE=440 mV) thus far reported for 2,7-substituted pyrenes. Spectroelectrochemical measurements confirm an unexpectedly strong coupling between the 2,7-substituents in our pyrene derivatives. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states

    Directory of Open Access Journals (Sweden)

    H A Badehian

    2015-07-01

    Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.

  3. Exact many-electron ground states on diamond and triangle Hubbard chains

    International Nuclear Information System (INIS)

    Gulacsi, Zsolt; Kampf, Arno; Vollhardt, Dieter

    2009-01-01

    We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (1) a rewriting of the Hamiltonian into positive semidefinite form, (2) the construction of a many-electron ground state of this Hamiltonian, and (3) the proof of the uniqueness of the ground state. This approach works in any dimension, requires no integrability of the model, and only demands sufficiently many microscopic parameters in the Hamiltonian which have to fulfill certain relations. The scheme is first employed to construct exact ground state for the diamond Hubbard chain in a magnetic field. These ground states are found to exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or insulating behavior, which can be tuned by changing the magnetic flux, local potentials, or electron density. Detailed proofs of the uniqueness of the ground states are presented. By the same technique exact ground states are constructed for triangle Hubbard chains and a one-dimensional periodic Anderson model with nearest-neighbor hybridization. They permit direct comparison with results obtained by variational techniques for f-electron ferromagnetism due to a flat band in CeRh 3 B 2 . (author)

  4. Coherence properties and quantum state transportation in an optical conveyor belt.

    Science.gov (United States)

    Kuhr, S; Alt, W; Schrader, D; Dotsenko, I; Miroshnychenko, Y; Rosenfeld, W; Khudaverdyan, M; Gomer, V; Rauschenbeutel, A; Meschede, D

    2003-11-21

    We have prepared and detected quantum coherences of trapped cesium atoms with long dephasing times. Controlled transport by an "optical conveyor belt" over macroscopic distances preserves the atomic coherence with slight reduction of coherence time. The limiting dephasing effects are experimentally identified, and we present an analytical model of the reversible and irreversible dephasing mechanisms. Our experimental methods are applicable at the single-atom level. Coherent quantum bit operations along with quantum state transport open the route towards a "quantum shift register" of individual neutral atoms.

  5. Ground-state properties of trapped Bose-Fermi mixtures: Role of exchange correlation

    International Nuclear Information System (INIS)

    Albus, Alexander P.; Wilkens, Martin; Illuminati, Fabrizio

    2003-01-01

    We introduce density-functional theory for inhomogeneous Bose-Fermi mixtures, derive the associated Kohn-Sham equations, and determine the exchange-correlation energy in local-density approximation. We solve numerically the Kohn-Sham system, and determine the boson and fermion density distributions and the ground-state energy of a trapped, dilute mixture beyond mean-field approximation. The importance of the corrections due to exchange correlation is discussed by a comparison with current experiments; in particular, we investigate the effect of the repulsive potential-energy contribution due to exchange correlation on the stability of the mixture against collapse

  6. Method of isolation of traces of americium by using the +6 oxidation state properties

    International Nuclear Information System (INIS)

    Kwinta, Jean; Michel, Jean-Jacques

    1969-05-01

    The authors present a method to separate traces of americium from a solution containing fission products and actinides. This method comprises the following steps: firstly, the oxidation of americium at the +6 state by ammonium persulfate and carrying over of actinides and III and IV lanthanides by lanthanum fluoride; secondly, the reduction by hydrazine of the oxidized americium and carrying over of the reduced americium by lutetium fluoride; and thirdly, the americium-lutetium separation by selective extractions either with di 2 ethyl hexyl phosphoric acid, or by fractionated elution on an anionic resin column by a mixture of nitric acid and methanol [fr

  7. Ground-state properties of a dilute homogeneous Bose gas of hard disks in two dimensions

    International Nuclear Information System (INIS)

    Mazzanti, F.; Polls, A.; Fabrocini, A.

    2005-01-01

    The energy and structure of a dilute hard-disks Bose gas are studied in the framework of a variational many-body approach based on a Jastrow correlated ground-state wave function. The asymptotic behaviors of the radial distribution function and the one-body density matrix are analyzed after solving the Euler equation obtained by a free minimization of the hypernetted chain energy functional. Our results show important deviations from those of the available low density expansions, already at gas parameter values x∼0.001. The condensate fraction in 2D is also computed and found generally lower than the 3D one at the same x

  8. Highly twisted 1,2:8,9-dibenzozethrenes: Synthesis, ground state, and physical properties

    KAUST Repository

    Sun, Zhe; Zheng, Bin; Hu, Pan; Huang, Kuo-Wei; Wu, Jishan

    2014-01-01

    Two soluble and stable 1,2:8,9-dibenzozethrene derivatives (3a,b) are synthesized through a palladium-catalyzed cyclodimerization reaction. X-ray crystallographic analysis shows that these molecules are highly twisted owing to congestion at the cove region. Broken-symmetry DFT calculations predict that they have a singlet biradical ground state with a smaller biradical character and a large singlet-triplet energy gap; these predictions are supported by NMR and electronic absorption measurements. They have small energy gaps and exhibit farred/near-infrared absorption/emission and amphoteric redox behaviors.

  9. Properties of the low-lying negative parity states in 45Sc

    International Nuclear Information System (INIS)

    Chevallier, J.; Haas, B.; Schulz, N.; Toulemonde, M.

    1975-01-01

    The electromagnetic decay of negative parity states in 45 Sc up to an excitation energy of 2107keV have been investigated via the 42 Ca(α,pγ) 45 Sc reaction at a bombarding energy of 10.5MeV. Spin and lifetime of the levels as well as branching and mixing ratios of their decay γ-rays have been obtained from proton-gamma angular correlation measurements. Calculations based on the strong coupling model have been performed. The results are compared with experiment [fr

  10. Properties of polymer foils used as solid-state track detectors

    International Nuclear Information System (INIS)

    Spurny, F.

    1973-05-01

    Polymer foils were studied with a view to their application as solid-state alpha track detectors. The detection efficiency was determined as was its alpha energy dependence and the quality of the surface and the natural background of the foils were evaluated. The kinetics of etching was studied in three selected type of foils. Characteristic constants for the selected foils and methods of etching were calculated. The possible applications of the foils as track detectors are discussed and the effect is dealt with of the selected foil and of the method of chemical etching on the foil applicability in nuclear sciences, especially in fast neutron dosimetry and in alpha spectrometry. (author)

  11. Highly twisted 1,2:8,9-dibenzozethrenes: Synthesis, ground state, and physical properties

    KAUST Repository

    Sun, Zhe

    2014-08-08

    Two soluble and stable 1,2:8,9-dibenzozethrene derivatives (3a,b) are synthesized through a palladium-catalyzed cyclodimerization reaction. X-ray crystallographic analysis shows that these molecules are highly twisted owing to congestion at the cove region. Broken-symmetry DFT calculations predict that they have a singlet biradical ground state with a smaller biradical character and a large singlet-triplet energy gap; these predictions are supported by NMR and electronic absorption measurements. They have small energy gaps and exhibit farred/near-infrared absorption/emission and amphoteric redox behaviors.

  12. Ground-state properties of exotic nuclei near Z=40 in the relativistic mean-field theory

    International Nuclear Information System (INIS)

    Lalazissis, G.A.

    1995-01-01

    Study of the ground-state properties of Kr, Sr and Zr isotopes has been performed in the framework of the relativistic mean-field (RMF) theory using the recently proposed relativistic parameter set NL-SH. It is shown that the RMF theory provides an unified and excellent description of the binding energies, isotope shifts and deformation properties of nuclei over a large range of isospin in the Z=40 region. It is observed that the RMF theory with the force NL-SH is able to describe the anomalous kinks in isotope shifts in Kr and Sr nuclei, the problem which has hitherto remained unresolved. This is in contrast with the density-dependent Skyrme-Hartree-Fock approach which does not reproduce the behaviour of the isotope shifts about shell closure. On the Zr chain we predict that the isotope shifts exhibit a trend similar to that of the Kr and Sr nuclei. The RMF theory also predicts shape coexistence in heavy Sr isotopes. Several dramatic shape transitions in the isotopic chains are shown to be a general feature of nuclei in this region. A comparison of the properties with the available mass models shows that the results of the RMF theory are generally in accord with the predictions of the finite-range droplet model. ((orig.))

  13. Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited states

    International Nuclear Information System (INIS)

    Das, Madhulita; Chaudhuri, Rajat K; Chattopadhyay, Sudip; Sinha Mahapatra, Uttam

    2011-01-01

    In view of its importance in high precision spectroscopy, the valence universal multireference coupled cluster (VU-MRCC) method with four-component relativistic spinors has been applied to compute ionization potential (IP) and excitation energies (EEs) of the indium atom (In I). The effect of electron correlations on the ground and excited state properties is investigated using different levels of CC approximations and basis sets. This study reveals that for a given basis, the linearized VU-MRCC method tends to underestimate the IP, EEs and other one-electron properties such as magnetic hyperfine constant (A) compared to the full blown VU-MRCC method. Our computed results have been compared with available theoretical and experimental data. The IP, EEs, A and oscillator strengths (f) determined at the VU-MRCC level are in excellent agreement with the experimental results. The properties reported here further demonstrate that a basis set with at least h-type of orbitals is ubiquitous to achieve converged results.

  14. Influence of the aggregate state on band structure and optical properties of C60 computed with different methods

    Science.gov (United States)

    Pal, Amrita; Arabnejad, Saeid; Yamashita, Koichi; Manzhos, Sergei

    2018-05-01

    C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density functional theory-Density Functional Tight Binding (DFTB) study of the effect of solid state packing on the band structure and optical absorption of C60. The valence and conduction band edge energies of solid C60 differ on the order of 0.1 eV from single molecule frontier orbital energies. We show that calculations of optical properties using linear response time dependent-DFT(B) or the imaginary part of the dielectric constant (dipole approximation) can result in unrealistically large redshifts in the presence of intermolecular interactions compared to available experimental data. We show that optical spectra computed from the frequency-dependent real polarizability can better reproduce the effect of C60 aggregation on optical absorption, specifically with a generalized gradient approximation functional, and may be more suited to study effects of molecular aggregation.

  15. COMPARATIVE STUDY OF THE EFFECTS OF DETONATION NANODIAMONDS WITH VARIED PROPERTIES ON FUNCTIONAL STATE OF BRAIN NERVE TERMINALS

    Directory of Open Access Journals (Sweden)

    M. A. Galkin

    2016-12-01

    Full Text Available The aim of the study was to compare the effects of detonation nanodiamond preparations from different batches cleaned from impurities by diverse methods of chemical treatment on the membrane potential and glutamate transport characteristics of rat brain nerve terminals. The size of nanodiamond particles vary from 10–20 nm to 10 μm. There are carbonyl, hydroxyl and carboxyl functional groups on the surface of the particles. Physical-chemical properties such as a magnetic susceptibility and the amount of incombustible residue in samples of detonation nanodia-mond vary depending on the synthesis regime and the method of chemical cleaning of the product and therefore, the neuroactive properties of nanodiamonds from different batches can be different. It was shown by dynamic light scattering analysis that nanodiamond preparations from different batches treated by diverse technologies of chemical treatment had varied average size of particles and distribution of particles by size. Nanodiamond preparations from different batches changed the plasma membrane potential and caused membrane depolarization of nerve terminals. Analysis of the effects of nanodiamonds on transporter-mediated L-[14C]glutamate uptake by nerve terminals also revealed that all studied nanodiamond preparations decreased abovementioned parameter. Therefore, detonation nanodiamonds from different batches have similar principal effects on functional state of nerve terminals, however variability in their physical and chemical properties is associated with diverse strength of these effects.

  16. Electronic properties of high-Tc superconductors. The normal and the superconducting state of high-Tc materials. Proceedings

    International Nuclear Information System (INIS)

    Kuzmany, H.; Mehring, M.; Fink, J.

    1993-01-01

    The International Winter School on Electronic Properties of High-Temperature Superconductors, held between March 7-14, 1992, in Kirchberg, (Tyrol) Austria, was the sixth in a series of meetings to be held at this venue. Four of the earlier meetings were dedicated to issues in the field of conducting polymers, while the winter school held in 1990 was devoted to the new discipline of high-Tc superconductivity. This year's meeting constituted a forum not only for the large number of scientists engaged in high-Tc research, but also for those involved in the new and exciting field of fullerenes. Many of the issues raised during the earlier winter schools on conducting polymers, and the last one on high-Tc superconductivity, have taken on a new significance in the light of the discovery of superconducting C 60 materials. The Kirchberg meetings are organized in the style of a school where experienced scientists from universities, research laboratories and industry have the opportunity to discuss their most recent results, and where students and young scientists can learn about the present status of research and applications from some of the most eminent workers in their field. In common with the previous winter school on high-Tc superconductors, the present one focused on the electronic properties of the cuprate superconductors. In addition, consideration was given to related compounds which are relevant to the understanding of the electronic structure of the cuprates in the normal state, to other oxide superconductors and to fulleride superconductors. Contributions dealing with their preparation, transport and thermal properties, high-energy spectroscopies, nuclear magnetic resonance, inelastic neutron scattering, and optical spectroscopy are presented in this volume. The theory of the normal and superconducting states also occupies a central position. (orig.)

  17. Laser properties of Fe2+:ZnSe fabricated by solid-state diffusion bonding

    Science.gov (United States)

    Balabanov, S. S.; Firsov, K. N.; Gavrishchuk, E. M.; Ikonnikov, V. B.; Kazantsev, S. Yu; Kononov, I. G.; Kotereva, T. V.; Savin, D. V.; Timofeeva, N. A.

    2018-04-01

    The characteristics of an Fe2+:ZnSe laser at room temperature and its active elements with undoped faces were studied. Polycrystalline elements with one or two diffusion-doped internal layers were obtained by the solid-state diffusion bonding technique applied to chemical vapor deposition grown ZnSe plates preliminary doped with Fe2+ ions in the process of hot isostatic pressing. A non-chain electric-discharge HF laser was used to pump the crystals. It was demonstrated that increasing the number of doped layers allows increasing the maximum diameter of the pump radiation spot and the pump energy without the appearance of transversal parasitic oscillation. For the two-layer-doped active element with a diameter of 20 mm an output energy of 480 mJ was achieved with 37% total efficiency with respect to the absorbed energy. The obtained results demonstrate the potential of the developed technology for fabrication of active elements by the solid-state diffusion bonding technique combined with the hot isostatic pressing treatment for efficient IR lasers based on chalcogenides doped with transition metal ions.

  18. Synthesis and improved photochromic properties of pyrazolones in the solid state by incorporation of halogen

    Science.gov (United States)

    Guo, Jixi; Yuan, Hui; Jia, Dianzeng; Guo, Mingxi; Li, Yinhua

    2017-01-01

    Four novel photochromic pyrazolones have been prepared by introducing halogen atoms as substituents on the benzene ring. All as-synthesized compounds exhibited excellent reversible photochromic performances in the solid state. Upon UV light irradiation, the as-synthesized compounds can change their structures from E-form to K-form with yellow coloration. Further processed by heating, they rapidly reverted to their initial states at 120 °С. Their photo-response and thermal bleaching kinetics were detailed investigated by UV absorption spectra. The results showed that the time constants were higher than that of our previously reported compounds at least one order of magnitude and the rate constants of the as-synthesized compounds were significantly influenced by the size and electronegativity of different halogen atoms. The fluorescence emission were modulated in a high degree via photoisomerization of pyrazolones, which might be due to the efficient energy transfer from E-form to K-form isomers for their partly overlaps between their E-form absorption spectra and K-form fluorescence spectra.

  19. Thermodynamic properties by Equation of state of liquid sodium under pressure

    Science.gov (United States)

    Li, Huaming; Sun, Yongli; Zhang, Xiaoxiao; Li, Mo

    Isothermal bulk modulus, molar volume and speed of sound of molten sodium are calculated through an equation of state of a power law form within good precision as compared with the experimental data. The calculated internal energy data show the minimum along the isothermal lines as the previous result but with slightly larger values. The calculated values of isobaric heat capacity show the unexpected minimum in the isothermal compression. The temperature and pressure derivative of various thermodynamic quantities in liquid Sodium are derived. It is discussed about the contribution from entropy to the temperature and pressure derivative of isothermal bulk modulus. The expressions for acoustical parameter and nonlinearity parameter are obtained based on thermodynamic relations from the equation of state. Both parameters for liquid Sodium are calculated under high pressure along the isothermal lines by using the available thermodynamic data and numeric derivations. By comparison with the results from experimental measurements and quasi-thermodynamic theory, the calculated values are found to be very close at melting point at ambient condition. Furthermore, several other thermodynamic quantities are also presented. Scientific Research Starting Foundation from Taiyuan university of Technology, Shanxi Provincial government (``100-talents program''), China Scholarship Council and National Natural Science Foundation of China (NSFC) under Grant No. 11204200.

  20. Paramagnetic properties of the low- and high-spin states of yeast cytochrome c peroxidase

    International Nuclear Information System (INIS)

    Vanwetswinkel, Sophie; Nuland, Nico A. J. van; Volkov, Alexander N.

    2013-01-01

    Here we describe paramagnetic NMR analysis of the low- and high-spin forms of yeast cytochrome c peroxidase (CcP), a 34 kDa heme enzyme involved in hydroperoxide reduction in mitochondria. Starting from the assigned NMR spectra of a low-spin CN-bound CcP and using a strategy based on paramagnetic pseudocontact shifts, we have obtained backbone resonance assignments for the diamagnetic, iron-free protein and the high-spin, resting-state enzyme. The derived chemical shifts were further used to determine low- and high-spin magnetic susceptibility tensors and the zero-field splitting constant (D) for the high-spin CcP. The D value indicates that the latter contains a hexacoordinate heme species with a weak field ligand, such as water, in the axial position. Being one of the very few high-spin heme proteins analyzed in this fashion, the resting state CcP expands our knowledge of the heme coordination chemistry in biological systems

  1. Comparative Emulsifying Properties of Octenyl Succinic Anhydride (OSA-Modified Starch: Granular Form vs Dissolved State.

    Directory of Open Access Journals (Sweden)

    María Matos

    Full Text Available The emulsifying ability of OSA-modified and native starch in the granular form, in the dissolved state and a combination of both was compared. This study aims to understand mixed systems of particles and dissolved starch with respect to what species dominates at droplet interfaces and how stability is affected by addition of one of the species to already formed emulsions. It was possible to create emulsions with OSA-modified starch isolated from Quinoa as sole emulsifier. Similar droplet sizes were obtained with emulsions prepared at 7% (w/w oil content using OSA-modified starch in the granular form or molecularly dissolved but large differences were observed regarding stability. Pickering emulsions kept their droplet size constant after one month while emulsions formulated with OSA-modified starch dissolved exhibited coalescence. All emulsions stabilized combining OSA-modified starch in granular form and in solution showed larger mean droplet sizes with no significant differences with respect to the order of addition. These emulsions were unstable due to coalescence regarding presence of free oil. Similar results were obtained when emulsions were prepared by combining OSA-modified granules with native starch in solution. The degree of surface coverage of starch granules was much lower in presence of starch in solution which indicates that OSA-starch is more surface active in the dissolved state than in granular form, although it led to unstable systems compared to starch granule stabilized Pickering emulsions, which demonstrated to be extremely stable.

  2. Paramagnetic properties of the low- and high-spin states of yeast cytochrome c peroxidase

    Energy Technology Data Exchange (ETDEWEB)

    Vanwetswinkel, Sophie; Nuland, Nico A. J. van; Volkov, Alexander N., E-mail: ovolkov@vub.ac.be [Vrije Universiteit Brussel, Jean Jeener NMR Centre, Structural Biology Brussels (Belgium)

    2013-09-15

    Here we describe paramagnetic NMR analysis of the low- and high-spin forms of yeast cytochrome c peroxidase (CcP), a 34 kDa heme enzyme involved in hydroperoxide reduction in mitochondria. Starting from the assigned NMR spectra of a low-spin CN-bound CcP and using a strategy based on paramagnetic pseudocontact shifts, we have obtained backbone resonance assignments for the diamagnetic, iron-free protein and the high-spin, resting-state enzyme. The derived chemical shifts were further used to determine low- and high-spin magnetic susceptibility tensors and the zero-field splitting constant (D) for the high-spin CcP. The D value indicates that the latter contains a hexacoordinate heme species with a weak field ligand, such as water, in the axial position. Being one of the very few high-spin heme proteins analyzed in this fashion, the resting state CcP expands our knowledge of the heme coordination chemistry in biological systems.

  3. Observations of multiple order parameters in 5f electron systems; Observations de parametres d'ordre multiples dans les systemes d'electrons 5f

    Energy Technology Data Exchange (ETDEWEB)

    Blackburn, E

    2005-12-15

    In this thesis, multiple order parameters originating in the same electronic system are studied. The multi-k magnetic structures, where more than one propagation wavevector, k, is observed in the same volume, are considered as prototypical models. The effect of this structure on the elastic and inelastic response is studied. In cubic 3-k uranium rock-salts, unexpected elastic diffraction events were observed at positions in reciprocal space where the structure factor should have been zero. These diffraction peaks are identified with correlations between the (orthogonal) magnetic order parameters. The 3-k structure also affects the observed dynamics; the spin-wave fluctuations in uranium dioxide as observed by inelastic neutron polarization analysis can only be explained on the basis of a 3-k structure. In the antiferromagnetic superconductor UPd{sub 2}Al{sub 3} the magnetic order and the super-conducting state coexist, and are apparently generated by the same heavy fermions. The effect of an external magnetic field on both the normal and superconducting states is examined. In the normal state, the compound displays Fermi-liquid-like behaviour. The inelastic neutron response is strongly renormalized on entering the superconducting state, and high-precision measurements of the low-energy transfer part of this response confirm that the superconducting energy gap has the same symmetry as the antiferromagnetic lattice. (author)

  4. Some solid state properties of LiF:Mg,Cu,P TL-materials

    Energy Technology Data Exchange (ETDEWEB)

    Prokert, K [Dresden Univ. of Technology (Georgia). Inst. of Radiation Protection

    1996-12-31

    This paper describes some investigations of solid state characteristics of a LiF:Mg,Cu,P thermoluminofor. The investigations were carried out with LiF:Mg,Cu,P-thermoluminescence (TL)-material prepared by the chemical institute of the Moscow State University in form of powder and sintered pellets. Following methods were used: (1) Studies of the chemical composition was carried out by x-ray fluorescence analysis with `SPECTRO-X-LAB`-equipment with Rh-anode, B{sub 4}C-polarizator, LN{sub 2}-cooled 30 mm{sup 2} Si(Li)-detector with Be-window (energy resolution 155 keV for Mn-k{sub {alpha}}-radiation). The software of the equipment permits a qualitative and quantitative determination of elements with atomic numbers >10; (2) investigations of the crystal structure were taken by x-ray-diffractometry with a SIEMENS-diffractometer D 500 using Cu-k{sub {alpha}}-radiation. The integrated software permits to analyze the crystalline phases using the data of the measured material by comparison with standards spectra of various pure substances. The results of determination of the chemical composition and the crystal structure show that in the thermoluminofor LiF:Mg,Cu,P, besides the basic material LiF also Li{sub 3}PO{sub 4}- and Li{sub 4}P{sub 2}O{sub 7}-crystal regions exists. The occurrence of the two lithium phosphate phases follow from the high ammonium phosphate content in the mixture for the thermoluminofor production. The formation of the various lithium phosphates depends from state of dehydration of phosphoric acids, created by thermal decomposition of NH{sub 4}H{sub 2}PO{sub 4} before their reactions with LiF start. Therefore the content of these compounds can differ if thermoluminofors are prepared under various conditions. The maintenance of the needed equilibrium of special structures in the material depends on the preparation procedure, on the reading and annealing methods. Typically for such an equilibrium is its poor thermal stability. (Abstract Truncated)

  5. The Impact of Wind Power Projects on Residential Property Values in the United States: A Multi-Site Hedonic Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Hoen, Ben; Wiser, Ryan; Cappers, Peter; Thayer, Mark; Sethi, Gautam

    2009-12-02

    With wind energy expanding rapidly in the U.S. and abroad, and with an increasing number of communities considering wind power development nearby, there is an urgent need to empirically investigate common community concerns about wind project development. The concern that property values will be adversely affected by wind energy facilities is commonly put forth by stakeholders. Although this concern is not unreasonable, given property value impacts that have been found near high voltage transmission lines and other electric generation facilities, the impacts of wind energy facilities on residential property values had not previously been investigated thoroughly. The present research collected data on almost 7,500 sales of singlefamily homes situated within 10 miles of 24 existing wind facilities in nine different U.S. states. The conclusions of the study are drawn from eight different hedonic pricing models, as well as both repeat sales and sales volume models. The various analyses are strongly consistent in that none of the models uncovers conclusive evidence of the existence of any widespread property value impacts that might be present in communities surrounding wind energy facilities. Specifically, neither the view of the wind facilities nor the distance of the home to those facilities is found to have any consistent, measurable, and statistically significant effect on home sales prices. Although the analysis cannot dismiss the possibility that individual homes or small numbers of homes have been or could be negatively impacted, it finds that if these impacts do exist, they are either too small and/or too infrequent to result in any widespread, statistically observable impact.

  6. Revealing kinetics and state-dependent binding properties of IKur-targeting drugs that maximize atrial fibrillation selectivity

    Science.gov (United States)

    Ellinwood, Nicholas; Dobrev, Dobromir; Morotti, Stefano; Grandi, Eleonora

    2017-09-01

    The KV1.5 potassium channel, which underlies the ultra-rapid delayed-rectifier current (IKur) and is predominantly expressed in atria vs. ventricles, has emerged as a promising target to treat atrial fibrillation (AF). However, while numerous KV1.5-selective compounds have been screened, characterized, and tested in various animal models of AF, evidence of antiarrhythmic efficacy in humans is still lacking. Moreover, current guidelines for pre-clinical assessment of candidate drugs heavily rely on steady-state concentration-response curves or IC50 values, which can overlook adverse cardiotoxic effects. We sought to investigate the effects of kinetics and state-dependent binding of IKur-targeting drugs on atrial electrophysiology in silico and reveal the ideal properties of IKur blockers that maximize anti-AF efficacy and minimize pro-arrhythmic risk. To this aim, we developed a new Markov model of IKur that describes KV1.5 gating based on experimental voltage-clamp data in atrial myocytes from patient right-atrial samples in normal sinus rhythm. We extended the IKur formulation to account for state-specificity and kinetics of KV1.5-drug interactions and incorporated it into our human atrial cell model. We simulated 1- and 3-Hz pacing protocols in drug-free conditions and with a [drug] equal to the IC50 value. The effects of binding and unbinding kinetics were determined by examining permutations of the forward (kon) and reverse (koff) binding rates to the closed, open, and inactivated states of the KV1.5 channel. We identified a subset of ideal drugs exhibiting anti-AF electrophysiological parameter changes at fast pacing rates (effective refractory period prolongation), while having little effect on normal sinus rhythm (limited action potential prolongation). Our results highlight that accurately accounting for channel interactions with drugs, including kinetics and state-dependent binding, is critical for developing safer and more effective pharmacological anti

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  8. Modular Hamiltonians on the null plane and the Markov property of the vacuum state

    Science.gov (United States)

    Casini, Horacio; Testé, Eduardo; Torroba, Gonzalo

    2017-09-01

    We compute the modular Hamiltonians of regions having the future horizon lying on a null plane. For a CFT this is equivalent to regions with a boundary of arbitrary shape lying on the null cone. These Hamiltonians have a local expression on the horizon formed by integrals of the stress tensor. We prove this result in two different ways, and show that the modular Hamiltonians of these regions form an infinite dimensional Lie algebra. The corresponding group of unitary transformations moves the fields on the null surface locally along the null generators with arbitrary null line dependent velocities, but act non-locally outside the null plane. We regain this result in greater generality using more abstract tools on the algebraic quantum field theory. Finally, we show that modular Hamiltonians on the null surface satisfy a Markov property that leads to the saturation of the strong sub-additive inequality for the entropies and to the strong super-additivity of the relative entropy.

  9. Solid state properties of oligomers containing dithienothiophene or fluorene residues suitable for field effect transistor devices

    International Nuclear Information System (INIS)

    Porzio, William; Destri, Silvia; Giovanella, Umberto; Pasini, Mariacecilia; Marin, Luminita; Iosip, Mariana Dana; Campione, Marcello

    2007-01-01

    A series of three thiophene based oligomers has been extensively characterized. The chemical design has been addressed to obtain ionization potential (IP) and electronic affinity (EA) values matching the work function of commonly used electrode materials. Such IP and EA values were tested by cyclovoltammetry. In order to tune electron-donation and drawing strength the sequence of the molecule subunits in the oligomer has been varied. The thermal properties with particular reference to their stability during preparation and operation were checked by using differential scanning calorimetry, polarised light microscopy and thermogravimetric analysis techniques. Prototypes of thin film field effect transistor, based on this series of oligomers have been electrically and structurally characterized. The long axes of the molecules are oriented nearly perpendicular to the gate insulator, in agreement with both highly sensitive X-ray diffraction and atomic force microscopy. From powder diffraction data the structure of oligomer I was solved. A general relation is envisaged between charge mobility and packing closeness in the series. For the most promising molecule a study of mobility/temperature behaviour was performed yielding interesting results

  10. Annealing Effects on the Normal-State Resistive Properties of Underdoped Cuprates

    Science.gov (United States)

    Vovk, R. V.; Khadzhai, G. Ya.; Nazyrov, Z. F.; Kamchatnaya, S. N.; Feher, A.; Dobrovolskiy, O. V.

    2018-05-01

    The influence of room-temperature annealing on the parameters of the basal-plane electrical resistance of underdoped YBa_2Cu_3O_{7-δ } and HoBa_2Cu_3O_{7-δ } single crystals in the normal and superconducting states is investigated. The form of the derivatives dρ (T)/dT makes it possible to determine the onset temperature of the fluctuation conductivity and indicates a nonuniform distribution of the labile oxygen. Annealing has been revealed to lead to a monotonic decrease in the oxygen deficiency, that primarily manifests itself as a decrease in the residual resistance, an increase of T_c, and a decrease in the Debye temperature.

  11. Solid state cathodoluminescence and the properties of its two emission peaks

    International Nuclear Information System (INIS)

    Xu Xurong

    2007-01-01

    We discovered solid state cathodoluminescence (SSCL). For its identification we excluded all artifacts, carried out its cross proof and studied its generality. Its spectrum is characterized by the appearance of short wavelength peak when the applied voltage is increased. Three voltage ranges are distinguished, in the lower voltage range we have the long wavelength emission, in the middle range we have both long and short wavelength emissions, and in the higher voltage range we have only the short wavelength emission. The mechanism of this spectral shift lies in the electrical field ionization of excitons. This effect initiates the applicability of band model besides molecular excitons theory. The temporal behaviors of both peaks in SSCL are studied with a method of estimating lifetime by means of frequency dependence on intensity. The lifetime of short wavelength emission is found to be 5 ms and that of long wavelength emission is less than 0.05 ms

  12. Quantitative, steady-state properties of Catania's computational model of the operant reserve.

    Science.gov (United States)

    Berg, John P; McDowell, J J

    2011-05-01

    Catania (2005) found that a computational model of the operant reserve (Skinner, 1938) produced realistic behavior in initial, exploratory analyses. Although Catania's operant reserve computational model demonstrated potential to simulate varied behavioral phenomena, the model was not systematically tested. The current project replicated and extended the Catania model, clarified its capabilities through systematic testing, and determined the extent to which it produces behavior corresponding to matching theory. Significant departures from both classic and modern matching theory were found in behavior generated by the model across all conditions. The results suggest that a simple, dynamic operant model of the reflex reserve does not simulate realistic steady state behavior. Copyright © 2011 Elsevier B.V. All rights reserved.

  13. Physical states and scaling properties of W gravities and W strings

    International Nuclear Information System (INIS)

    Das, S.R.; Dhar, A.; Rama, S.K.

    1992-01-01

    In this paper the authors discuss some physical aspects of W gravities and W strings. The authors identify global characteristics in W gravities (in addition to the usual Euler characteristic) and show how the dependence of the partition function on the various chemical potentials involves these quantities. The authors find the operators which create physical states in W 3 and W 4 gravities and discuss their relationship with screening operators. W strings are discussed in the framework of a natural way of coupling matter to W gravity, and the issues of extra dimensions and critical dimensions are clarified. The authors find a remarkable relationship between pure W gravities and ordinary gravity coupled to c < 1 unitary minimal models

  14. Quantum correlation properties in Matrix Product States of finite-number spin rings

    Science.gov (United States)

    Zhu, Jing-Min; He, Qi-Kai

    2018-02-01

    The organization and structure of quantum correlation (QC) of quantum spin-chains are very rich and complex. Hence the depiction and measures about the QC of finite-number spin rings deserved to be investigated intensively by using Matrix Product States(MPSs) in addition to the case with infinite-number. Here the dependencies of the geometric quantum discord(GQD) of two spin blocks on the total spin number, the spacing spin number and the environment parameter are presented in detail. We also compare the GQD with the total correlation(TC) and the classical correlation(CC) and illustrate its characteristics. Predictably, our findings may provide the potential of designing the optimal QC experimental detection proposals and pave the way for the designation of optimal quantum information processing schemes.

  15. High pressure in solid state chemistry: Combined experimental and modeling approaches for assessing and predicting properties

    Science.gov (United States)

    Etourneau, Jean; Matar, Samir F.

    2018-06-01

    The thermodynamic pressure parameter has been thoroughly used with mastership by Gérard Demazeau throughout his rich career in solid state chemistry and materials sciences and more recently in biosciences. After a review of such works, focus is made in this topical article on his contribution together with his team in the field of hard materials based on light elements B, C, N with a proposition of a new ultra-hard carbon nitride C2N on one hand and on the structural transformations under high pressures of perovskite into postperovskite with a change of dimensionality from 3D to 2D and related oxides, regarding the arrangement of octahedra, on the other hand. Investigation and concepts first arising from experimental observables are shown to be aided and accelerated via first principles calculations of energy and energy-related quantities.

  16. Asymptotic properties of Born-improved amplitudes with gauge bosons in the final state

    CERN Document Server

    Papavassiliou, J

    1999-01-01

    For processes with gauge bosons in the final state we show how to continuously connect with a single Born-improved amplitude the resonant region, where resummation effects are important, with the asymptotic region far away from the resonance, where the amplitude must reduce to its tree-level form. While doing so all known field-theoretical constraints are respected, most notably gauge-invariance, unitarity and the equivalence theorem. The calculations presented are based on the process $f\\bar{f}\\to ZZ$, mediated by a possibly resonant Higgs boson; this process captures all the essential features, and can serve as a prototype for a variety of similar calculations. By virtue of massive cancellations the resulting closed expressions for the differential and total cross-sections are particularly compact.

  17. System Tb-Fe-O: thermodynamic properties of ternary oxides using solid-state electrochemical cells

    International Nuclear Information System (INIS)

    Rakshit, S.K.; Parida, S.C.; Dash, S.; Singh, Ziley; Prasad, R.; Venugopal, V.

    2003-01-01

    The standard molar Gibbs free energies of formation of TbFeO 3 (s) and Tb 3 Fe 5 O 12 (s) have been determined using solid-state electrochemical cell employing different solid electrolytes. The reversible emfs of the following solid-state electrochemical cells have been measured in the temperature range 1050≤T/K≤1250. Cell (I):(-)Pt/{TbFeO 3 (s)+Tb 2 O 3 (s)+Fe(s)}//YDT/CSZ//{Fe(s)+Fe 0.95 O(s)}/Pt(+))) (Cell (II):(-)Pt/{Fe(s)+Fe 0.95 O(s)}//CSZ//{TbFeO 3 (s)+Tb 3 Fe 5 O 12 (s)+Fe 3 O 4 (s)}/Pt(+) The oxygen chemical potentials corresponding to the three-phase equilibria involving the ternary oxides have been computed from the emf data. The standard molar Gibbs free energies of formation of solid TbFeO 3 and Tb 3 Fe 5 O 12 calculated by the least-squares regression analysis of the data obtained in the present study are given by {Δ f G compfn m (TbFeO 3 ,s)/(kJ·mol -1 )±3.2}=-1357.5+0.2531·(T/K); (1050≤T/K≤1548);))and({Δ f G compfn m (Tb 3 Fe 5 O 12 ,s)/(kJ·mol -1 )±3.5}=-4901.7+ 0.9997·(T/K); (1050≤T/K≤1250).)) The uncertainty estimates for Δ f G compfn m include the standard deviation in the emf and uncertainty in the data taken from the literature. Based on the thermodynamic information, oxygen potential diagram and chemical potential diagrams were computed for the system Tb-Fe-O at T=1250 K

  18. Microstructure, chemical states, and mechanical properties of V–C–Co coatings prepared by non-reactive magnetron sputtering

    International Nuclear Information System (INIS)

    Zhang, Xiaojuan; Wang, Bo; Zhan, Zhaolin; Huang, Feng

    2013-01-01

    V–C–Co coatings have been prepared by non-reactive magnetron co-sputtering from VC and Co targets. The microstructure, chemical states, and mechanical properties are examined as a function of Co content in the coatings. The coatings are dense, with columnar growth structures. High resolution transmission electron microscopy (HRTEM) studies identify a nanocomposite microstructure for the 12.4 at.% Co coating, in which ligament-like Co-rich regions partially separate the nanocrystalline VC grains. X-ray photoelectron spectroscopy studies reveal a noticeable charge transfer from Co 2p states to C 1s states. This charge transfer, in addition to the ligament-like Co-rich regions as revealed by HRTEM, points to the formation of a strong Co/VC interface. The nanoindentation hardness of the coatings drops steadily with the Co content, from 29 GPa for pure VC to ∼ 21 GPa for the 12.4 at.% Co coating. Meanwhile, the plasticity characteristic increased from 0.42 to 0.53. - Highlights: • Nanocomposite V–C–Co coatings with strong Co/VC interfaces were formed. • Found nanocrystalline VC grains separated by ∼ 1 nm thin Co-rich ligaments. • A noticeable amount of C-Co bonds between VC and Co is identified. • V–C–Co coatings exhibited a higher plasticity characteristic than VC

  19. Microstructure, chemical states, and mechanical properties of V–C–Co coatings prepared by non-reactive magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xiaojuan [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); School of Materials Science and Engineering, Kunming University of Science and Technology, Kunming, Yunnan 650000 (China); Wang, Bo [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Zhan, Zhaolin [School of Materials Science and Engineering, Kunming University of Science and Technology, Kunming, Yunnan 650000 (China); Huang, Feng, E-mail: huangfeng@nimte.ac.cn [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China)

    2013-07-01

    V–C–Co coatings have been prepared by non-reactive magnetron co-sputtering from VC and Co targets. The microstructure, chemical states, and mechanical properties are examined as a function of Co content in the coatings. The coatings are dense, with columnar growth structures. High resolution transmission electron microscopy (HRTEM) studies identify a nanocomposite microstructure for the 12.4 at.% Co coating, in which ligament-like Co-rich regions partially separate the nanocrystalline VC grains. X-ray photoelectron spectroscopy studies reveal a noticeable charge transfer from Co 2p states to C 1s states. This charge transfer, in addition to the ligament-like Co-rich regions as revealed by HRTEM, points to the formation of a strong Co/VC interface. The nanoindentation hardness of the coatings drops steadily with the Co content, from 29 GPa for pure VC to ∼ 21 GPa for the 12.4 at.% Co coating. Meanwhile, the plasticity characteristic increased from 0.42 to 0.53. - Highlights: • Nanocomposite V–C–Co coatings with strong Co/VC interfaces were formed. • Found nanocrystalline VC grains separated by ∼ 1 nm thin Co-rich ligaments. • A noticeable amount of C-Co bonds between VC and Co is identified. • V–C–Co coatings exhibited a higher plasticity characteristic than VC.

  20. Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer

    International Nuclear Information System (INIS)

    Säkkinen, Niko; Leeuwen, Robert van; Peng, Yang; Appel, Heiko

    2015-01-01

    We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron densities. A comparison to exact results indicates that this symmetry breaking is strongly correlated with the formation of a bipolaron state in which the two electrons prefer to reside on the same molecule. The results further show that the Hartree and partially self-consistent Born solutions obtained by enforcing symmetry do not compare well with exact energetics, while the fully self-consistent Born approximation improves the qualitative and quantitative agreement with exact results in the same symmetric case. This together with a presented natural occupation number analysis supports the conclusion that the fully self-consistent approximation describes partially the bipolaron crossover. These results contribute to better understanding how these approximations cope with the strong localizing effect of the electron-phonon interaction

  1. Excited-state quantum phase transitions in systems with two degrees of freedom: Level density, level dynamics, thermal properties

    International Nuclear Information System (INIS)

    Stránský, Pavel; Macek, Michal; Cejnar, Pavel

    2014-01-01

    Quantum systems with a finite number of freedom degrees f develop robust singularities in the energy spectrum of excited states as the system’s size increases to infinity. We analyze the general form of these singularities for low f, particularly f=2, clarifying the relation to classical stationary points of the corresponding potential. Signatures in the smoothed energy dependence of the quantum state density and in the flow of energy levels with an arbitrary control parameter are described along with the relevant thermodynamical consequences. The general analysis is illustrated with specific examples of excited-state singularities accompanying the first-order quantum phase transition. -- Highlights: •ESQPTs found in infinite-size limit of systems with low numbers of freedom degrees f. •ESQPTs related to non-analytical evolutions of classical phase–space properties. •ESQPT signatures analyzed for general f, particularly f=2, extending known case f=1. •ESQPT signatures identified in smoothened density and flow of energy spectrum. •ESQPTs shown to induce a new type of thermodynamic anomalies

  2. Thermoelectric properties of 3D topological insulator: Direct observation of topological surface and its gap opened states

    Science.gov (United States)

    Matsushita, Stephane Yu; Huynh, Khuong Kim; Yoshino, Harukazu; Tu, Ngoc Han; Tanabe, Yoichi; Tanigaki, Katsumi

    2017-10-01

    We report thermoelectric (TE) properties of topological surface Dirac states (TSDS) in three-dimensional topological insulators (3D-TIs) purely isolated from the bulk by employing single-crystal B i2 -xS bxT e3 -yS ey films epitaxially grown in the ultrathin limit. Two intrinsic nontrivial topological surface states, a metallic TSDS (m-TSDS) and a gap-opened semiconducting topological state (g-TSDS), are successfully observed by electrical transport, and important TE parameters [electrical conductivity (σ), thermal conductivity (κ), and thermopower (S )] are accurately determined. Pure m-TSDS gives S =-44 μ V K-1 , which is an order of magnitude higher than those of the conventional metals and the value is enhanced to -212 μ V K-1 for g-TSDS. It is clearly shown that the semiclassical Boltzmann transport equation (SBTE) in the framework of constant relaxation time (τ) most frequently used for conventional analysis cannot be valid in 3D-TIs and strong energy dependent relaxation time τ(E ) beyond the Born approximation is essential for making intrinsic interpretations. Although σ is protected on the m-TSDS, κ is greatly influenced by the disorder on the topological surface, giving a dissimilar effect between topologically protected electronic conduction and phonon transport.

  3. Effect of surface states of layered double hydroxides on conductive and transport properties of nanocomposite polymer electrolytes

    International Nuclear Information System (INIS)

    Liao, C.-S.; Ye, W.-B.

    2004-01-01

    All solid-state poly(ethylene oxide) (PEO) nanocomposite electrolytes were made containing nanoscale fillers of layered double hydroxides (LDHs). Two kinds of LDHs with different surface states were prepared by aqueous co-precipitation method. The LDHs were added into PEO matrix to study the structures, conductivities and ionic transport properties of nanocomposite electrolytes. The structures of LDHs were characterized by infrared spectra, thermogravimetric analysis and wide-angle X-ray diffraction. With enhanced compatibility of LDH sheets by oligo(ethylene oxide) surface modification, the PEO/OMLDH nanocomposite electrolyte exhibits an amorphous morphology and an enhancement of conductivity by three orders of magnitude as compared to pure PEO electrolyte. The lithium ion transference number T Li + of PEO/LDH nanocomposite electrolyte measured with a value of 0.42 is two times higher than the one of pure PEO electrolyte, which can be attributed to the Lewis acid-base interaction between surface states of metal hydroxides and counter anions of lithium salts

  4. Assessment of the GLLB-SC potential for solid-state properties and attempts for improvement

    Science.gov (United States)

    Tran, Fabien; Ehsan, Sohaib; Blaha, Peter

    2018-02-01

    Based on the work of Gritsenko et al. (GLLB) [Phys. Rev. A 51, 1944 (1995), 10.1103/PhysRevA.51.1944], the method of Kuisma et al. [Phys. Rev. B 82, 115106 (2010), 10.1103/PhysRevB.82.115106] to calculate the band gap in solids was shown to be much more accurate than the common local density approximation (LDA) and generalized gradient approximation (GGA). The main feature of the GLLB-SC potential (SC stands for solid and correlation) is to lead to a nonzero derivative discontinuity that can be conveniently calculated and then added to the Kohn-Sham band gap for a comparison with the experimental band gap. In this work, a thorough comparison of GLLB-SC with other methods, e.g., the modified Becke-Johnson (mBJ) potential [Tran and Blaha, Phys. Rev. Lett. 102, 226401 (2009), 10.1103/PhysRevLett.102.226401], for electronic, magnetic, and density-related properties is presented. It is shown that for the band gap, GLLB-SC does not perform as well as mBJ for systems with a small band gap and strongly correlated systems, but is on average of similar accuracy as hybrid functionals. The results on itinerant metals indicate that GLLB-SC overestimates significantly the magnetic moment (much more than mBJ does), but leads to excellent results for the electric field gradient, for which mBJ is in general not recommended. In the aim of improving the results, variants of the GLLB-SC potential are also tested.

  5. Electrogenic properties of the Na+/K+ ATPase control transitions between normal and pathological brain states

    Science.gov (United States)

    Krishnan, Giri P.; Filatov, Gregory; Shilnikov, Andrey

    2015-01-01

    Ionic concentrations fluctuate significantly during epileptic seizures. In this study, using a combination of in vitro electrophysiology, computer modeling, and dynamical systems analysis, we demonstrate that changes in the potassium and sodium intra- and extracellular ion concentrations ([K+] and [Na+], respectively) during seizure affect the neuron dynamics by modulating the outward Na+/K+ pump current. First, we show that an increase of the outward Na+/K+ pump current mediates termination of seizures when there is a progressive increase in the intracellular [Na+]. Second, we show that the Na+/K+ pump current is crucial in maintaining the stability of the physiological network state; a reduction of this current leads to the onset of seizures via a positive-feedback loop. We then present a novel dynamical mechanism for bursting in neurons with a reduced Na+/K+ pump. Overall, our study demonstrates the profound role of the current mediated by Na+/K+ ATPase on the stability of neuronal dynamics that was previously unknown. PMID:25589588

  6. Polymorphism in sulfadimidine/4-aminosalicylic acid cocrystals: solid-state characterization and physicochemical properties.

    Science.gov (United States)

    Grossjohann, Christine; Serrano, Dolores R; Paluch, Krzysztof J; O'Connell, Peter; Vella-Zarb, Liana; Manesiotis, Panagiotis; Mccabe, Thomas; Tajber, Lidia; Corrigan, Owen I; Healy, Anne Marie

    2015-04-01

    Polymorphism of crystalline drugs is a common phenomenon. However, the number of reported polymorphic cocrystals is very limited. In this work, the synthesis and solid-state characterization of a polymorphic cocrystal composed of sulfadimidine (SD) and 4-aminosalicylic acid (4-ASA) is reported for the first time. By liquid-assisted milling, the SD:4-ASA 1:1 form I cocrystal, the structure of which has been previously reported, was formed. By spray drying, a new polymorphic form (form II) of the SD:4-ASA 1:1 cocrystal was discovered which could also be obtained by solvent evaporation from ethanol and acetone. Structure determination of the form II cocrystal was calculated using high-resolution X-ray powder diffraction. The solubility of the SD:4-ASA 1:1 cocrystal was dependent on the pH and predicted by a model established for a two amphoteric component cocrystal. The form I cocrystal was found to be thermodynamically more stable in aqueous solution than form II, which showed transformation to form I. Dissolution studies revealed that the dissolution rate of SD from both cocrystals was enhanced when compared with a physical equimolar mixture and pure SD. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association J Pharm Sci 104:1385-1398, 2015. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  7. Disease properties, geography, and mitigation strategies in a simulation spread of rinderpest across the United States

    Directory of Open Access Journals (Sweden)

    Manore Carrie

    2011-03-01

    Full Text Available Abstract For the past decade, the Food and Agriculture Organization of the United Nations has been working toward eradicating rinderpest through vaccination and intense surveillance by 2012. Because of the potential severity of a rinderpest epidemic, it is prudent to prepare for an unexpected outbreak in animal populations. There is no immunity to the disease among the livestock or wildlife in the United States (US. If rinderpest were to emerge in the US, the loss in livestock could be devastating. We predict the potential spread of rinderpest using a two-stage model for the spread of a multi-host infectious disease among agricultural animals in the US. The model incorporates large-scale interactions among US counties and the small-scale dynamics of disease spread within a county. The model epidemic was seeded in 16 locations and there was a strong dependence of the overall epidemic size on the starting location. The epidemics were classified according to overall size into small epidemics of 100 to 300 animals (failed epidemics, epidemics infecting 3 000 to 30 000 animals (medium epidemics, and the large epidemics infecting around one million beef cattle. The size of the rinderpest epidemics were directly related to the origin of the disease and whether or not the disease moved into certain key counties in high-livestock-density areas of the US. The epidemic size also depended upon response time and effectiveness of movement controls.

  8. Nuclear Ground State Properties in Strontium by Fast Beam Laser Spectroscopy

    CERN Multimedia

    2002-01-01

    Hyperfine structures and isotope shifts of strontium isotopes with A=78 to A=100 were measured by collinear fast beam laser spectroscopy. Nuclear spins, moments and changes in mean square charge radii are extracted from the data. The spins and moments of most of the odd isotopes are explained in the framework of the single particle model. The changes in mean square charge radii show a decrease with increasing neutron number below the N=50 shell closure. Above N=50 the charge radii increase regularly up to N=59 before revealing a strong discontinuity, indicating the onset of strong ground state deformation. A comparison of the droplet model shows that for the transitional isotopes below and above N=50, the zero point quadrupole motion describes part of the observed shell effect. Calculations carried out in the Hartree-Fock plus BCS model suggest an additional change in the surface region of the charge distribution at spherical shape. From these calculations it is furthermore proposed, that the isotopes $^7

  9. Equation of state and transport properties of warm dense helium via quantum molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Li, Zhi-Guo [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); National Key Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang 621900 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Cheng, Yan [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Chen, Qi-Feng, E-mail: chenqf01@gmail.com, E-mail: xrchen@scu.edu.cn [National Key Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang 621900 (China); Chen, Xiang-Rong, E-mail: chenqf01@gmail.com, E-mail: xrchen@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China)

    2016-05-15

    The equation of state, self-diffusion, and viscosity coefficients of helium have been investigated by quantum molecular dynamics (QMD) simulations in the warm dense matter regime. Our simulations are validated through the comparison with the reliable experimental data. The calculated principal and reshock Hugoniots of liquid helium are in good agreement with the gas-gun data. On this basis, we revisit the issue for helium, i.e., the possibility of the instabilities predicted by chemical models at around 2000 GPa and 10 g/cm{sup 3} along the pressure isotherms of 6309, 15 849, and 31 623 K. Our calculations show no indications of instability in this pressure-temperature region, which reconfirm the predictions of previous QMD simulations. The self-diffusion and viscosity coefficients of warm dense helium have been systematically investigated by the QMD simulations. We carefully test the finite-size effects and convergences of statistics, and obtain numerically converged self-diffusion and viscosity coefficients by using the Kubo-Green formulas. The present results have been used to evaluate the existing one component plasma models. Finally, the validation of the Stokes-Einstein relationship for helium in the warm dense regime is discussed.

  10. Thermophysical properties of carboxylic and amino acid buffers at subzero temperatures: relevance to frozen state stabilization.

    Science.gov (United States)

    Sundaramurthi, Prakash; Suryanarayanan, Raj

    2011-06-02

    Macromolecules and other thermolabile biologicals are often buffered and stored in frozen or dried (freeze-dried) state. Crystallization of buffer components in frozen aqueous solutions and the consequent pH shifts were studied in carboxylic (succinic, malic, citric, tartaric acid) and amino acid (glycine, histidine) buffers. Aqueous buffer solutions were cooled from room temperature (RT) to -25 °C and the pH of the solution was measured as a function of temperature. The thermal behavior of frozen solutions was investigated by differential scanning calorimetry (DSC), and the crystallized phases were identified by X-ray diffractometry (XRD). Based on the solubility of the neutral species of each buffer system over a range of temperatures, it was possible to estimate its degree of supersaturation at the subambient temperature of interest. This enabled us to predict its crystallization propensity in frozen systems. The experimental and the predicted rank orderings were in excellent agreement. The malate buffer system was robust with no evidence of buffer component crystallization and hence negligible pH shift. In the citrate and tartrate systems, at initial pH pI. In the histidine buffer system, depending on the initial pH, either histidine or histidine HCl crystallized.

  11. State of the Art on Functional Virgin Olive Oils Enriched with Bioactive Compounds and Their Properties

    Directory of Open Access Journals (Sweden)

    Patricia Reboredo-Rodríguez

    2017-03-01

    Full Text Available Virgin olive oil, the main fat of the Mediterranean diet, is per se considered as a functional food—as stated by the European Food Safety Authority (EFSA—due to its content in healthy compounds. The daily intake of endogenous bioactive phenolics from virgin olive oil is variable due to the influence of multiple agronomic and technological factors. Thus, a good strategy to ensure an optimal intake of polyphenols through habitual diet would be to produce enriched virgin olive oil with well-known bioactive polyphenols. Different sources of natural biological active substances can be potentially used to enrich virgin olive oil (e.g., raw materials derived from the same olive tree, mainly olive leaves and pomaces, and/or other compounds from plants and vegetables, mainly herbs and spices. The development of these functional olive oils may help in prevention of chronic diseases (such as cardiovascular diseases, immune frailty, ageing disorders and degenerative diseases and improving the quality of life for many consumers reducing health care costs. In the present review, the most relevant scientific information related to the development of enriched virgin olive oil and their positive human health effects has been collected and discussed.

  12. Evolution of biomass burning aerosol over the Amazon: airborne measurements of aerosol chemical composition, microphysical properties, mixing state and optical properties during SAMBBA

    Science.gov (United States)

    Morgan, W.; Allan, J. D.; Flynn, M.; Darbyshire, E.; Hodgson, A.; Liu, D.; O'Shea, S.; Bauguitte, S.; Szpek, K.; Johnson, B.; Haywood, J.; Longo, K.; Artaxo, P.; Coe, H.

    2013-12-01

    Biomass burning represents one of the largest sources of particulate matter to the atmosphere, resulting in a significant perturbation to the Earth's radiative balance coupled with serious impacts on public health. On regional scales, the impacts are substantial, particularly in areas such as the Amazon Basin where large, intense and frequent burning occurs on an annual basis for several months. Absorption by atmospheric aerosols is underestimated by models over South America, which points to significant uncertainties relating to Black Carbon (BC) aerosol properties. Initial results from the South American Biomass Burning Analysis (SAMBBA) field experiment, which took place during September and October 2012 over Brazil on-board the UK Facility for Airborne Atmospheric Measurement (FAAM) BAe-146 research aircraft, are presented here. Aerosol chemical composition was measured by an Aerodyne Aerosol Mass Spectrometer (AMS) and a DMT Single Particle Soot Photometer (SP2). The physical, chemical and optical properties of the aerosols across the region will be characterized in order to establish the impact of biomass burning on regional air quality, weather and climate. The aircraft sampled a range of conditions including sampling of pristine Rainforest, fresh biomass burning plumes, regional haze and elevated biomass burning layers within the free troposphere. The aircraft sampled biomass burning aerosol across the southern Amazon in the states of Rondonia and Mato Grosso, as well as in a Cerrado (Savannah-like) region in Tocantins state. This presented a range of fire conditions, in terms of their number, intensity, vegetation-type and their combustion efficiencies. Near-source sampling of fires in Rainforest environments suggested that smouldering combustion dominated, while flaming combustion dominated in the Cerrado. This led to significant differences in aerosol chemical composition, particularly in terms of the BC content, with BC being enhanced in the Cerrado

  13. Thermophysical properties of solid and liquid pure and alloyed Pu: A review

    Energy Technology Data Exchange (ETDEWEB)

    Boivineau, M., E-mail: michel.boivineau@cea.f [CEA, Centre de Valduc, Departement de Recherches sur les Materiaux Nucleaires, F-21120 Is-sur-Tille (France)

    2009-08-01

    The thermophysical properties of both solid and liquid pure and alloyed plutonium have been investigated up to 4000 K by use of a resistive pulse heating technique, the so-called isobaric expansion experiment (IEX). Electrical resistivity, specific volume (density), latent heats of transformations, heat of fusion have been measured and extended in the whole liquid region. Additional static measurements have been also performed in order to determine the heat transport properties such as heat capacity, thermal diffusivity and thermal conductivity of plutonium alloys. After a first part devoted to additional results on pure Pu under rapid heating, this paper mostly deals with studies on different delta-stabilized Pu alloys in the high temperature range, particularly in the liquid state which is the principal originality of this work. In addition to the thermophysical data mentioned above, an attention is also paid onto sound velocity measurements on these alloys in the solid and liquid states. Hence, an anomalous behavior such as elastic softening is confirmed in the delta phase as already reported previously. Moreover, sound velocity and equation of state parameters (adiabatic and thermal bulk moduli, Grueneisen parameter, and specific heats ratio) have been investigated on liquid alloyed Pu. Such results confirm previous works on liquid pure Pu by presenting an atypical dual behavior of sound velocity, and are discussed in terms of delocalization process of the 5f electrons of both liquid pure and alloyed Pu.

  14. Extraversion and neuroticism relate to topological properties of resting-state brain networks.

    Science.gov (United States)

    Gao, Qing; Xu, Qiang; Duan, Xujun; Liao, Wei; Ding, Jurong; Zhang, Zhiqiang; Li, Yuan; Lu, Guangming; Chen, Huafu

    2013-01-01

    With the advent and development of modern neuroimaging techniques, there is an increasing interest in linking extraversion and neuroticism to anatomical and functional brain markers. Here, we aimed to test the theoretically derived biological personality model as proposed by Eysenck using graph theoretical analyses. Specifically, the association between the topological organization of whole-brain functional networks and extraversion/neuroticism was explored. To construct functional brain networks, functional connectivity among 90 brain regions was measured by temporal correlation using resting-state functional magnetic resonance imaging (fMRI) data of 71 healthy subjects. Graph theoretical analysis revealed a positive association of extraversion scores and normalized clustering coefficient values. These results suggested a more clustered configuration in brain networks of individuals high in extraversion, which could imply a higher arousal threshold and higher levels of arousal tolerance in the cortex of extraverts. On a local network level, we observed that a specific nodal measure, i.e., betweenness centrality (BC), was positively associated with neuroticism scores in the right precentral gyrus (PreCG), right caudate nucleus, right olfactory cortex, and bilateral amygdala. For individuals high in neuroticism, these results suggested a more frequent participation of these specific regions in information transition within the brain network and, in turn, may partly explain greater regional activation levels and lower arousal thresholds in these regions. In contrast, extraversion scores were positively correlated with BC in the right insula, while negatively correlated with BC in the bilateral middle temporal gyrus (MTG), indicating that the relationship between extraversion and regional arousal is not as simple as proposed by Eysenck.

  15. Extraversion and Neuroticism relate to topological properties of resting-state brain networks

    Directory of Open Access Journals (Sweden)

    Qing eGao

    2013-06-01

    Full Text Available With the advent and development of modern neuroimaging techniques, there is an increasing interest in linking extraversion and neuroticism to anatomical and functional brain markers. Here we aimed to test the theoretically derived biological personality model as proposed by Eysenck using graph theoretical analyses. Specifically, the association between the topological organization of whole-brain functional networks and extraversion/neuroticism was explored. To construct functional brain networks, functional connectivity among 90 brain regions was measured by temporal correlation using resting-state functional magnetic resonance imaging (fMRI data of 71 healthy subjects. Graph theoretical analysis revealed a positive association of extraversion scores and normalized clustering coefficient values. These results suggested a more clustered configuration in brain networks of individuals high in extraversion, which could imply a higher arousal threshold and higher levels of arousal tolerance in the cortex of extraverts. On a local network level, we observed that a specific nodal measure, i.e. betweenness centrality (BC, was positively associated with neuroticism scores in the right precentral gyrus, right caudate nucleus, right olfactory cortex and bilateral amygdala. For individuals high in neuroticism, these results suggested a more frequent participation of these specific regions in information transition within the brain network and, in turn, may partly explain greater regional activation levels and lower arousal thresholds in these regions. In contrast, extraversion scores were positively correlated with BC in the right insula, while negatively correlated with BC in the bilateral middle temporal gyrus, indicating that the relationship between extraversion and regional arousal is not as simple as proposed by Eysenck.

  16. Ground-state properties of ordered, partially ordered, and random Cu-Au and Ni-Pt alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Abrikosov, I. A.; Skriver, Hans Lomholt

    1995-01-01

    We have studied the ground-state properties of ordered, partially ordered, and random Cu-Au and Ni-Pt alloys at the stoichiometric 1/4, 1/2, and 3/4 compositions in the framework of the multisublattice single-site (SS) coherent potential approximation (CPA). Charge-transfer effects in the random ...... for the ordered alloys are in good agreement with experimental data. For all the alloys the calculated ordering energy and the equilibrium lattices parameters are found to be almost exact quadratic functions of the long-range-order parameter....... and the partially ordered alloys are included in the screened impurity model. The prefactor in the Madelung energy is determined by the requirement that the total energy obtained in direct SS CPA calculations should equal the total energy given by the Connolly-Williams expansion based on Green’s function...

  17. Recycling and processing of several typical crosslinked polymer scraps with enhanced mechanical properties based on solid-state mechanochemical milling

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Canhui; Zhang, Xinxing; Zhang, Wei [State Key Laboratory of Polymer Materials Engineering, Polymer Research Institute, Sichuan University, Chengdu 610065 (China)

    2015-05-22

    The partially devulcanization or de-crosslinking of ground tire rubber (GTR), post-vulcanized fluororubber scraps and crosslinked polyethylene from cable scraps through high-shear mechanochemical milling (HSMM) was conducted by a modified solid-state mechanochemical reactor. The results indicated that the HSMM treated crosslinked polymer scraps can be reprocessed as virgin rubbers or thermoplastics to produce materials with high performance. The foamed composites of low density polyethylene/GTR and the blend of post-vulcanized flurorubber (FKM) with polyacrylate rubber (ACM) with better processability and mechanical properties were obtained. The morphology observation showed that the dispersion and compatibility between de-crosslinked polymer scraps and matrix were enhanced. The results demonstrated that HSMM is a feasible alternative technology for recycling post-vulcanized or crosslinked polymer scraps.

  18. Effect of chip size on mechanical property and microstructure of AZ91D magnesium alloy prepared by solid state recycling

    International Nuclear Information System (INIS)

    Hu Maoliang; Ji Zesheng; Chen Xiaoyu; Zhang Zhenkao

    2008-01-01

    In this study, different kinds of AZ91D magnesium alloy chips were prepared by solid state recycling. Mechanical properties and microstructures of the recycled specimens were investigated. Various microstructural analyses were performed using the techniques of optical microscopy, scanning electron microscopy and oxygen-nitrogen analysis. Microstructural observations revealed that all the recycled specimens consisted of fine grains due to dynamic recrystallization. The oxide precipitate content is closely related to the recycled chip size. Accumulated oxygen concentration linearly increases with the total surface area of the machined chips in the recycled specimens. Ambient oxide in the recycled specimen contributes to a higher ultimate tensile strength and a higher elongation to failure; however, excessive oxide in the recycled specimen may adversely affect the elongation to failure

  19. Use of state-dependent pair potentials in describing the structural and thermodynamic properties of noble gases

    Energy Technology Data Exchange (ETDEWEB)

    Jakse, Noel; Bretonnet, Jean-Louis [Laboratoire de Theorie de la Matiere Condensee, Universite de Metz, 1 Boulevard FD Arago, 57078 Metz Cedex 3 (France)

    2003-12-08

    Understanding the interatomic interactions in noble gases remains one of the fundamental problems not completely solved to date. From small-angle neutron scattering experiments it is well-known that three-body forces exist and cannot be neglected. On the theoretical side, semi-analytic and simulation methods have been used to reveal the nature of these many-body interactions. The purpose of the present work is to provide an overview of the different three-body contributions to the interactions and their relative importance in describing the structural and thermodynamic properties for noble gases by means of the integral equation theory and molecular dynamics simulations. We examine the relevance of the effective state-dependent pair potential in this framework, as well as the self-consistency problem that we are faced with in the integral equation theory.

  20. Physical properties in the normal state of the molecular superconductor Κ-(BEDT)2Cu2(CN)3

    International Nuclear Information System (INIS)

    Papavassiliou, G.C.; Lagouvardos, D.J.; Terzis, A.; Amiell, J.; Garrigou-Lagrange, C.; Delhaes, P.; Hilti, B.; Pfeiffer, J.

    1993-01-01

    We have investigated the electrical, spectroscopic and magnetic properties of the K-phase molecular conductor K-(BEDT) 2 Cu 2 (CN) 3 between room temperature and the liquid He 4 temperature range. We have shown that an intermittent superconducting material is present around or below 4 K which presents above this temperature limited spin fluctuations. The influence of disorder inside the anionic layers is discussed with respect to the X-ray crystal structure, and also the intrinsic effects due to temperature or pressure to explain this situation. Finally, the specific behaviour of the ESR linewidth at low temperature is analysed as a magnetic precursor regime of the supposed superconducting ground state. (orig.)

  1. Percolation-induced plasmonic state and double negative electromagnetic properties of Ni-Zn Ferrite/Cu granular composite materials

    Science.gov (United States)

    Massango, Herieta; Kono, Koji; Tsutaoka, Takanori; Kasagi, Teruhiro; Yamamoto, Shinichiro; Hatakeyama, Kenichi

    2018-05-01

    Complex permeability and permittivity spectra of Ni-Zn Ferrite/Cu hybrid granular composite materials have been studied in the RF to microwave frequency range. The electrical conductivity σ shows insulating properties in the volume fraction of Cu particles below φ = 0.14. A large jump in conductivity was observed between φ = 0.14 and 0.24 indicating that the Cu particles make metallic conduction between this interval. Hence, the percolation threshold φC, was estimated to be 0.14. A percolation-induced low frequency plasmonic state with negative permittivity spectrum was observed from φ = 0.14-0.24. Meanwhile the negative permeability was observed at φ = 0.16, 0.19 and 0.24. Hence the DNG characteristic was realized in these Cu volume content in the frequency range from 105 MHz to 2 GHz.

  2. Estimation of the thermophysical and mechanical properties and the equation of state of Li2O. Revision 1

    International Nuclear Information System (INIS)

    Krikorian, O.H.

    1984-12-01

    In this study we develop correlation methods based on Knoop microhardness and melting points for estimating tensile strength, Young's modulus, and Poisson's ratio for Li 2 O as a function of grain size, porosity, and temperature. We develop generalized expressions for extrapolating the existing data on thermal conductivity and thermal expansivity. These derived thermophysical data are combined to predict thermal stress factors for Li 2 O. Based on the available vapor pressure data on Li 2 O and empirical correlations for the liquid and vapor equation of state of Li 2 O, we also make estimates of the critical properties of Li 2 O and obtain a critical temperature of approximately 6800 +- 800 0 K

  3. Genetically modified foods in China and the United States: A primer of regulation and intellectual property protection

    Directory of Open Access Journals (Sweden)

    Alice Yuen-Ting Wong

    2016-09-01

    Full Text Available Food is a basic and personal necessity to human. Safety of food is a prime factor to consider apart from nutrition, quality and cost. Genetically modified (GM foods first came on the market in 1994. Yet safety, transparency and traceability of GM foods are still under hot debate. Nonetheless, the market of GM foods is huge and attractive. Regulatory affairs and intellectual property (IP are two critical factors affecting the development and commercial success of a food product. This article will take a look at the GM food technology and regulatory framework for GM foods in China and the United States. This article will also discuss the unique patent issues and non-patent IP tools for safeguarding the technology in these two countries.

  4. Properties of Fr-like Th^3+ from microwave spectroscopy of high-L Rydberg states of Th^2+

    Science.gov (United States)

    Keele, Julie; Smith, Chris; Woods, Shannon; Lundeen, Stephen; Fehrenbach, Charles

    2012-06-01

    Spectroscopy of high-L n= 28 Rydberg levels of Th^2+ was recently reported using the optical RESIS method [1]. Because the ground state of Fr-like Th^3+ is a ^2F5/2 level, each (n,L) Rydberg level of Th^2+ is split into six eigenstates whose relative positions are determined by long-range e-Th^3+ interactions. Measurements of those positions can be used to determine the Th^3+ properties that control those interactions, such as polarizabilities and permanent moments. We report a much improved study of n=28 levels with 9 Hanni, Shannon L. Woods, S.R. Lundeen, and C.W. Fehrenbach, Phys. Rev. A 83, 062501 (2011)[0pt] [2] U.I. Safronova, W.R. Johnson, and M.S. Safronova, Phys. Rev. A 74, 042511 (2006)

  5. Recycling and processing of several typical crosslinked polymer scraps with enhanced mechanical properties based on solid-state mechanochemical milling

    Science.gov (United States)

    Lu, Canhui; Zhang, Xinxing; Zhang, Wei

    2015-05-01

    The partially devulcanization or de-crosslinking of ground tire rubber (GTR), post-vulcanized fluororubber scraps and crosslinked polyethylene from cable scraps through high-shear mechanochemical milling (HSMM) was conducted by a modified solid-state mechanochemical reactor. The results indicated that the HSMM treated crosslinked polymer scraps can be reprocessed as virgin rubbers or thermoplastics to produce materials with high performance. The foamed composites of low density polyethylene/GTR and the blend of post-vulcanized flurorubber (FKM) with polyacrylate rubber (ACM) with better processability and mechanical properties were obtained. The morphology observation showed that the dispersion and compatibility between de-crosslinked polymer scraps and matrix were enhanced. The results demonstrated that HSMM is a feasible alternative technology for recycling post-vulcanized or crosslinked polymer scraps.

  6. Recycling and processing of several typical crosslinked polymer scraps with enhanced mechanical properties based on solid-state mechanochemical milling

    International Nuclear Information System (INIS)

    Lu, Canhui; Zhang, Xinxing; Zhang, Wei

    2015-01-01

    The partially devulcanization or de-crosslinking of ground tire rubber (GTR), post-vulcanized fluororubber scraps and crosslinked polyethylene from cable scraps through high-shear mechanochemical milling (HSMM) was conducted by a modified solid-state mechanochemical reactor. The results indicated that the HSMM treated crosslinked polymer scraps can be reprocessed as virgin rubbers or thermoplastics to produce materials with high performance. The foamed composites of low density polyethylene/GTR and the blend of post-vulcanized flurorubber (FKM) with polyacrylate rubber (ACM) with better processability and mechanical properties were obtained. The morphology observation showed that the dispersion and compatibility between de-crosslinked polymer scraps and matrix were enhanced. The results demonstrated that HSMM is a feasible alternative technology for recycling post-vulcanized or crosslinked polymer scraps

  7. 1 Mixing state and absorbing properties of black carbon during Arctic haze

    Science.gov (United States)

    Zanatta, Marco; Gysel, Martin; Eleftheriadis, Kosas; Laj, Paolo; Hans-Werner, Jacobi

    2016-04-01

    concentration from SP2, a mass absorption cross section of 6.0 m2 g-1 was found at a wavelength of 880 nm. Concerning mixing, rBC cores with a dimeter between 170 nm and 280 nm were found to be covered by a layer of non-absorbing material having a median thickness of 50 nm. From Mie calculation, such mixing would lead to an enhancement of absorption of 46% compared to a bare BC core. The aforementioned absorption enhancement would lead to a net decrease of single scattering albedo of the total aerosol of less than 1%. The reliability of Mie approach was confirmed by agreement with observations, while MAC values commonly used in radiative forcing models might lead to discrepancies up to 80%. Our work provides all the major optical properties of total aerosol and BC to minimize the uncertainty of radiative estimations based on a priori assumptions.

  8. Accurate predictions of spectroscopic and molecular properties of 27 Λ-S and 73 Ω states of AsS radical

    Science.gov (United States)

    Shi, Deheng; Song, Ziyue; Niu, Xianghong; Sun, Jinfeng; Zhu, Zunlue

    2016-01-01

    The PECs are calculated for the 27 Λ-S states and their corresponding 73 Ω states of AsS radical. Of these Λ-S states, only the 22Δ and 54Π states are replulsive. The 12Σ+, 22Σ+, 42Π, 34Δ, 34Σ+, and 44Π states possess double wells. The 32Σ+ state possesses three wells. The A2Π, 32Π, 12Φ, 24Π, 34Π, 24Δ, 34Δ, 16Σ+, and 16Π states are inverted with the SO coupling effect included. The 14Σ+, 24Σ+, 24Σ-, 24Δ, 14Φ, 16Σ+, and 16Π states, the second wells of 12Σ+, 34Σ+, 42Π, 44Π, and 34Δ states, and the third well of 32Σ+ state are very weakly-bound states. The PECs are extrapolated to the CBS limit. The effect of SO coupling on the PECs is discussed. The spectroscopic parameters are evaluated, and compared with available measurements and other theoretical ones. The vibrational properties of several weakly-bound states are determined. The spectroscopic properties reported here can be expected to be reliably predicted ones.

  9. Creep properties of phosphorus alloyed oxygen free copper under multiaxial stress state

    International Nuclear Information System (INIS)

    Rui Wu; Sandstroem, Rolf; Seitisleam, Facredin

    2009-10-01

    Phosphorus alloyed oxygen free copper (Cu-OFP) canisters are planned to be used for spent nuclear fuel in Sweden. The copper canisters will be subjected to creep under multiaxial stress states in the repository. Creep tests have therefore been carried out at 75 deg C using double notch specimens with notch acuities of 0.5, 2, 5, and 18.8, respectively. The creep lifetime for notched specimens is considerably longer than that for the smooth one at a given net section stress, indicating that the investigated Cu-OFP is notch insensitive (notch strengthening). The notch strengthening factor in time is, for instance, greater than 70 at 180 MPa for the bluntest notch (notch acuity = 0.5). The creep lifetime is notch acuity dependent. The sharper the notch, the longer the creep lifetime is. The creep deformation is to a significant extent concentrated to the region around the notches. Different deformation on the two notches is observed. Both axial and radial strains on the failed notch are several times larger than those on the unbroken one. Linear relation between the axial and the radial strains on the notches is found. Transgranular failure is predominant, independent of stress, rupture time, and notch acuity. Adjacent to fracture, elongated grains along the stress direction, separate pores and cavities are often visible. On the unbroken notch, fewer separate cavities and cracks are only seen intergranularly for the sharper notches (notch acuity > 2). To interpret the tests for the notched creep specimens, finite element computations have been performed. A fundamental model for primary and secondary creep without fitting parameters has been used as constitutive equation. The FEM-modelling could represent the creep strain versus time curves for the notched specimens in a satisfactory way. In these curves the strain on loading is included. From the FEM-computations a stationary creep stress could be assessed, which is close to the reference stress. For a given

  10. Low-temperature solid-state synthesis and optical properties of ZnO/CdS nanocomposites

    International Nuclear Information System (INIS)

    Liu, Jinsong; Zhu, Kongjun; Sheng, Beibei; Li, Ziquan; Tai, Guoan; Qiu, Jinhao; Wang, Jing; Chen, Jiankang; You, Yuncheng; Gu, Qilin; Liu, Pengcheng

    2015-01-01

    Highlights: • Using a low-temperature solid-state method, ZnO/CdS nanocomposites were obtained • Grain growth kinetics of cubic CdS and hexagonal ZnO phase was described. • Sufficient grinding and heating treatment was a key for formation of composites. • Optical properties could be easily manipulated by reaction temperature and time. - Abstract: A simple low-temperature solid-state reaction in the presence of the surfactant PEG400 was developed to obtain ZnO/CdS nanocomposites. The effects of synthesis temperature and reaction time on crystal structure and optical properties of the nanocomposites were investigated by several technologies. X-ray diffraction (XRD) and high resolution transmission electron microscope (HRTEM) characterizations showed that the products consisted of the nanoparticles, and the grain growth kinetics of the cubic CdS and the hexagonal ZnO phase in the nanocomposites was described. The mechanism analysis suggested that sufficient grinding and heating treatment was a key to form the ZnO/CdS nanocomposites, and the surfactant PEG400 was proved not to involve the reaction and prevent the nanoparticles from aggregating to larger in whole grinding and heat-treatment process. Ultraviolet–visible (UV–vis) spectra revealed that the band gaps of the nanocomposites could be tuned by the reaction temperature and reaction time. Photoluminescence (PL) spectra showed that the changing position and the intensity of the emission peaks resulted from the rate of electron transfer and recombination probability under the different conditions

  11. Hydraulic properties of alluvial soil of the ebb tide of Flocos Dam in Tuparetama - Pernambuco State, Brazil

    International Nuclear Information System (INIS)

    Souza, Eduardo S.; Montenegro, Abelardo A.A.

    2000-01-01

    The soil hydraulic properties, i.e., the soil-moisture characteristic curve, Θ(h), and the hydraulic conductivity, K(h), were determined for an alluvial soil from Flocos Dam, located at Tuparetama, state of Pernambuco, Brazil. The soil characteristic curves were determined through the functional adjustment, proposed by van Genuchten, to the values obtained in field measurements with tensiometers and neutron probes, and to values obtained in laboratory in a 'pressure pan' with a porous plate. The infiltration tests were performed for the depths of 0, 20, 40, 60, and 80 cm using an infiltration disk with a diameter of 80 mm, applying water at a potential of 0, -3, -6 and -12 cm. The hydraulic conductivity of the soil was determined through the VG method proposed by Zhang, which requires the previous knowledge of the soil-moisture characteristic curve. The determination of the soil-moisture characteristic curve by the two methods, using field or laboratory measurements, yielded similar results within the range of common pressure, from -300 to -100 cm, and indicates that the experimental results are sound and coherent. The heterogeneity of soil hydraulic properties within the soil profile can be explained by the variability in soil texture and dry bulk density throughout the profile. By using the diameter of the infiltration disk and the pressure applied to the soil, it was possible to characterize the porous matrix within the clayey layer. (author)

  12. Structure–property correlations in Eu-doped tetra calcium phosphate phosphor: A key to solid-state lighting application

    Energy Technology Data Exchange (ETDEWEB)

    Komuro, Naoyuki, E-mail: komuro.naoyuki@me.m-kagaku.co.jp [Mitsubishi Chemical Corporation, 1060 Naruda, Odawara, Kanagawa 250-0862 (Japan); Mikami, Masayoshi, E-mail: mikami.masayoshi@mv.mchc-rdsc.co.jp [MCHC R& D Synergy Center, Inc., 1000 Kamoshida, Aoba, Yokohama, Kanagawa 227-8502 (Japan); Saines, Paul J., E-mail: paul.saines@chem.ox.ac.uk [University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR (United Kingdom); Cheetham, Anthony K., E-mail: akc30@cam.ac.uk [University of Cambridge, Department of Materials Science and Metallurgy, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

    2015-06-15

    The unique emission characteristics and the crystal structure of Ca{sub 4}(PO{sub 4}){sub 2}O:Eu{sup 2+} were studied. Considerably broad emission from 500 nm to 800 nm was measured at 77 K when the material was excited at 365 nm. Its crystal structure was refined using neutron diffraction, allowing precise and accurate oxygen positions to be determined. This enabled a relationship between the optical properties and the crystal structure crucial for achieving a large redshift of the 5d level of Eu{sup 2+} to be established, which is important to match the excitation energy band with near-ultraviolet or blue light-emitting-diodes used for solid-state lighting. The importance of the anion polarizability and the distortion of the coordination polyhedron were also discussed. - Highlights: • The exceptionally broad emission and the thermal quenching of Ca{sub 4}(PO{sub 4}){sub 2}O:Eu{sup 2+}. • The precise crystal structure refinement by neutron diffraction. • The relationship between the optical properties and the crystal structure.

  13. Solid-state characterization and dissolution properties of meloxicam-moringa coagulant-PVP ternary solid dispersions.

    Science.gov (United States)

    Noolkar, Suhail B; Jadhav, Namdeo R; Bhende, Santosh A; Killedar, Suresh G

    2013-06-01

    The effect of ternary solid dispersions of poor water-soluble NSAID meloxicam with moringa coagulant (obtained by salt extraction of moringa seeds) and polyvinylpyrrolidone on the in vitro dissolution properties has been investigated. Binary (meloxicam-moringa and meloxicam-polyvinylpyrrolidone (PVP)) and ternary (meloxicam-moringa-PVP) systems were prepared by physical kneading and ball milling and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffractometry. The in vitro dissolution behavior of meloxicam from the different products was evaluated by means of United States Pharmacopeia type II dissolution apparatus. The results of solid-state studies indicated the presence of strong interactions between meloxicam, moringa, and PVP which were of totally amorphous nature. All ternary combinations were significantly more effective than the corresponding binary systems in improving the dissolution rate of meloxicam. The best performance in this respect was given by the ternary combination employing meloxicam-moringa-PVP ratio of [1:(3:1)] prepared by ball milling, with about six times increase in percent dissolution rate, whereas meloxicam-moringa (1:3) and meloxicam-PVP (1:4) prepared by ball milling improved dissolution of meloxicam by almost 3- and 2.5-folds, respectively. The achieved excellent dissolution enhancement of meloxicam in the ternary systems was attributed to the combined effects of impartation of hydrophilic characteristic by PVP, as well as to the synergistic interaction between moringa and PVP.

  14. Mechanical properties of ground state structures in substitutional ordered alloys: High strength, high ductility and high thermal stability

    International Nuclear Information System (INIS)

    Tawancy, H.M.; Aboelfotoh, M.O.

    2014-01-01

    We have studied the effect of atom arrangements in the ground state structures of substitutional ordered alloys on their mechanical properties using nickel–molybdenum-based alloys as model systems. Three alloys with nominal compositions of Ni–19.43 at% Mo, Ni–18.53 at% Mo–15.21 at% Cr and Ni–18.72 at% Mo–6.14 at% Nb are included in the study. In agreement with theoretical predictions, the closely related Pt 2 Mo-type, DO 22 and D1 a superlattices with similar energies are identified by electron diffraction of ground state structures, which can directly be derived from the parent disordered fcc structure by minor atom rearrangements on {420} fcc planes. The three superlattices are observed to coexist during the disorder–order transformation at 700 °C with the most stable superlattice being determined by the exact chemical composition. Although most of the slip systems in the parent disordered fcc structure are suppressed, many of the twinning systems remain operative in the superlattices favoring deformation by twinning, which leads to considerable strengthening while maintaining high ductility levels. Both the Pt 2 Mo-type and DO 22 superlattices are distinguished by high strength and high ductility due to their nanoscale microstructures, which have high thermal stability. However, the D1 a superlattice is found to exhibit poor thermal stability leading to considerable loss of ductility, which has been correlated with self-induced recrystallization by migration of grain boundaries

  15. Psychometric properties of the Mini-Mental State Examination in patients with acquired brain injury in Turkey.

    Science.gov (United States)

    Elhan, Atilla H; Kutlay, Sehim; Küçükdeveci, Ayse A; Cotuk, Cigdem; Oztürk, Gülsah; Tesio, Luigi; Tennant, Alan

    2005-09-01

    To evaluate the psychometric properties of Mini-Mental State Examination (MMSE) in patients with acquired brain injury in Turkey. A total of 207 patients with acquired brain injury were assessed. Reliability was tested by internal consistency and the person separation index; internal construct validity by Rasch analysis; external construct validity by correlation with cognitive disability; and cross-cultural validity by differential item functioning analysis compared with Italian MMSE data. Reliability was adequate with a Cronbach's alpha of 0.75 and person separation index of 0.76. After collapsing some categories, and adjustment for differential item functioning, internal construct validity was supported by fit of the data to Rasch model. Differential item functioning for culture was found in 2 items and after adjustment, data could be pooled between Turkey and Italy. External construct validity was supported by expected associations. The Turkish version of the Mini-Mental State Examination can be used as a cognitive screening tool in acquired brain injury. Cross-cultural validity between Italy and Turkey is supported, given appropriate adjustment for differential item functioning. However, shortfalls in reliability at the individual level, as well as the presence of differential item functioning suggest that a better instrument should be developed to screen for cognitive deficits following acquired brain injury.

  16. The use of an MHV-2 equation of state for modeling the thermodynamic properties of refrigerant mixtures

    International Nuclear Information System (INIS)

    Morrison, J.D.; Barley, M.H.; Parker, I.B.

    1995-01-01

    This paper reports on the development and application of a thermodynamic model based on the second-order Modified Huron Vidal equation of state (MHV-2) to predict the properties of ternary mixtures of the refrigerants R32, R125, and R134a. The mixing rules of this equation of state have been used to incorporate directly an activity-coefficient model for the excess Gibbs free energy. The parameters for the activity-coefficient model have been derived from experimental VLE data for binary mixtures. This methodology has enabled the production of a thermodynamically consistent model which can be used to predict the phase equilibria of R32/R125/R134a mixtures. The input data used in the model are presented in the paper and the predictions of the model are compared with available experimental data. The model has been used to predict the behavior of ternary refrigerant blends of R32/R125/R134a in fractionation scenarios, such as liquid charging and vapor leakage, which are of direct interest to the refrigeration industry. Details of these applications and comparisons with experimental data are discussed, along with other general uses of the thermodynamic model

  17. Influence of the magnetic field orientation on the mixed state properties of high temperature superconductors: an ac shielding study

    International Nuclear Information System (INIS)

    Schmidt, B.

    1999-01-01

    This work deals with the influence of the orientation of an applied static magnetic field on the mixed state properties of high temperature superconducting cuprates. The mixed state is characterized by the presence of vortices (quanta of magnetic flux). Their properties have been tested via the dynamic approach of the shielding of an ac magnetic field. In pristine Bi 2 Sr 2 CaCu 2 O 8 crystals the first order transition of the vortex system from an ordered to a disordered state has been studied. It has been found that in the material the transition is mainly determined by the component of the field perpendicular to the superconducting copper oxide layers. However, the value of this component at the transition diminishes with the increase of the field component parallel to the layers. This is explained by the decrease of the Josephson coupling between 2D vortices in neighbouring planes in the presence of a parallel component. In heavy ion irradiated Bi 2 Sr 2 CaCu 2 O 8 the subject under investigation has been the pinning of the vortices by the irradiation tracks. These defects push the irreversibility line towards higher fields. In the field range that has become irreversible after irradiation pinning by columnar defects is anisotropic. This anisotropy in pinning indicates that a coupling exists between the 2D vortices that form a vortex line, in contrast to the behaviour in the pristine material in the same field range. HgBa 2 Ca 2 Cu 3 O 8 with columnar defects shows essentially the same behaviour as Bi 2 Sr 2 CaCu 2 O 8 , the differences being well explained by the lower anisotropy of HgBa 2 Ca 2 Cu 3 O 8 which leads to a more linear character of the vortices. Finally, it has been shown that in pristine Bi 2 Sr 2 CaCu 2 O 8 the concentration of the vortices in the center of the sample is explained by the surface barrier alone. (author)

  18. A New All-Solid-State Hyperbranched Star Polymer Electrolyte for Lithium Ion Batteries: Synthesis and Electrochemical Properties

    International Nuclear Information System (INIS)

    Wang, Ailian; Xu, Hao; Zhou, Qian; Liu, Xu; Li, Zhengyao; Gao, Rui; Wu, Na; Guo, Yuguo; Li, Huayi; Zhang, Liaoyun

    2016-01-01

    Highlights: • A new hyperbranched multi-arm star polymer was successfully synthesized. • The star polymer electrolyte has good thermal stability and forming-film property. • The ion conductivity electrolyte can reach 8.3 × 10"−"5 S cm"−"1 at room temperature. • The star polymer electrolyte has wide electrochemical windows of 4.7 V. - Abstract: A new hyperbranched multi-arm star polymer with hyperbranched polystyrene (HBPS) as core and polymethyl methacrylate-block-poly(ethylene glycol) methyl ether methacrylate(PMMA-b-PPEGMA) as arms was firstly synthesized by atom transfer radical polymerization. The obtained hyperbranched multi-arm star polymer (HBPS-(PMMA-b-PPEGMA)_x) exhibited good thermal stability with a thermal decomposition temperature of 372 °C. The transparent, free-standing, flexible polymer electrolyte film of the blending of HBPS-(PMMA-b-PPEGMA)_x and lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) was successfully fabricated by a solution casting method. The ionic conductivity of the hyperbranched star polymer electrolyte with a molar ratio of [EO]/[Li] of 30 could reach 8.3 × 10"−"5 S cm"−"1 at 30 °C (with the content of PPEGMA of 83.7%), and 2.0 × 10"−"4 S cm"−"1 at 80 °C (with the content of PPEGMA of 51.6%). The effect of the concentration of lithium salts on ionic conductivity was also investigated. The obtained all-solid-state polymer electrolyte possessed a wide electrochemical stability window of 4.7 V (vs. Li"+/Li), and a lithium-ion transference number (t_L_i"+) up to 0.31. The interfacial impedance of the fabricated LiÔöépolymer electrolyteÔöéLi symmetric cell based on hyperbranched star multi-arm polymer electrolyte exhibited good interfacial compatibility between all-solid-state polymer electrolyte and electrodes. The excellent properties of the hyperbranched star polymer electrolyte made it attractive as solid-state polymer electrolyte for lithium-ion batteries.

  19. Influence of the magnetic field orientation on the mixed state properties of high temperature superconductors: an ac shielding study

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, B

    1999-07-01

    This work deals with the influence of the orientation of an applied static magnetic field on the mixed state properties of high temperature superconducting cuprates. The mixed state is characterized by the presence of vortices (quanta of magnetic flux). Their properties have been tested via the dynamic approach of the shielding of an ac magnetic field. In pristine Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} crystals the first order transition of the vortex system from an ordered to a disordered state has been studied. It has been found that in the material the transition is mainly determined by the component of the field perpendicular to the superconducting copper oxide layers. However, the value of this component at the transition diminishes with the increase of the field component parallel to the layers. This is explained by the decrease of the Josephson coupling between 2D vortices in neighbouring planes in the presence of a parallel component. In heavy ion irradiated Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} the subject under investigation has been the pinning of the vortices by the irradiation tracks. These defects push the irreversibility line towards higher fields. In the field range that has become irreversible after irradiation pinning by columnar defects is anisotropic. This anisotropy in pinning indicates that a coupling exists between the 2D vortices that form a vortex line, in contrast to the behaviour in the pristine material in the same field range. HgBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub 8} with columnar defects shows essentially the same behaviour as Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}, the differences being well explained by the lower anisotropy of HgBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub 8} which leads to a more linear character of the vortices. Finally, it has been shown that in pristine Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} the concentration of the vortices in the center of the sample is explained by the surface barrier alone. (author)

  20. Influence of locational states of submicron fibers added into matrix on mechanical properties of plain-woven Carbon Fiber Composite

    Directory of Open Access Journals (Sweden)

    Kumamoto Soichiro

    2016-01-01

    Full Text Available The aim of this study was to show the influence of locational states of submicron fibers added into epoxy matrix on mechanical properties of modified plane-woven carbon fiber reinforced plastic (CFRP. To change the locational states of submicron fibers, two kinds of fabrication processes were applied in preparing specimen by hand lay-up method. Submicron fibers were simply added into epoxy resin with ethanol after they were stirred by a dispersion process using homogenizer to be located far from the interface between reinforcement and matrix. In contrast, submicron fibers were attached onto the carbon fibers by injecting from a spray nozzle accompanying with ethanol to be located near the interface, after they were tentatively contained in ethanol. The plain-woven CFRP plates were fabricated by hand lay-up method and cured at 80 degree-C for 1 hour and then at 150 degree-C for 3 hours. After curing, the plain-woven CFRP plates were cut into the dimension of specimen. Tensile shear strength and Mode-II fracture toughness of CFRP were determined by tensile lap-shear test and End-notched flexure(ENF test, respectively. When submicron fibers were located far from the interface between carbon fibers and epoxy resin, tensile shear strength and Mode-II fracture toughness of CFRP were improved 30% and 18% compared with those of unmodified case. The improvement ratio in modified case was rather low (about few percentages in the case where submicron fibers were located near the interface. The result suggested that crack propagation should be prevented when submicron fibers were existed far from the interface due to the effective stress state around the crack tip.