WorldWideScience

Sample records for f-electron state properties

  1. 5f-Electron Phenomena in the Metallic State

    Science.gov (United States)

    Arko, A. J.; Joyce, John J.; Havela, Ladia

    In this chapter, the properties of actinides in the metallic state will be reviewed with an emphasis on those properties which are unique or predominantly found in the metallic solid state. Such properties include magnetism, superconductivity, enhanced mass, spin and charge-density waves, as well as quantum critical points. An introduction to fundamental condensed matter principles is included to focus the discussion on the properties in the metallic state. Systematics of the actinide 5f electronic structure will be presented for elements, alloys, metallic, and semi-metallic compounds so as to elucidate the unique characteristics that arise from the properties of actinides and 5f electrons in a periodic potential.

  2. Magnetic phase diagram and change in 5f electronic states in NpNiGa{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Honda, F. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan)]. E-mail: honda.fuminori@jaea.go.jp; Metoki, N. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Department of Physics, Tohoku University, Sendai 980-8578 (Japan); Kaneko, K. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Jonen, S. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Yamamoto, E. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Aoki, D. [Institute for Materials Research, Tohoku University, Oarai 311-1313 (Japan); Homma, Y. [Institute for Materials Research, Tohoku University, Oarai 311-1313 (Japan); Shiokawa, Y. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Institute for Materials Research, Tohoku University, Oarai 311-1313 (Japan); Onuki, Y. [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan)

    2006-05-01

    Our neutron scattering study revealed that NpNiGa{sub 5} has a canted structure with the antiferromagnetic (AFM) component along [110] with q=(121212) below 18K, superposed on a ferromagnetic (FM) component along the c-axis. A simple FM order remains stable with elevating temperature (18K8T) along [110]. The large difference in the magnetic moment for these two structures indicates that the transition at T{sub N}=18K is attributed to the 5f electronic transition between the low-moment FM state and high-moment state accompanying the in-plane AFM component perpendicular to the quantization c-axis. It can be qualitatively understood by a localized 5f model with competing interactions, while the 5f electrons are believed to be itinerant from the partial quenching of the orbital contribution in the magnetic form factor.

  3. The influence of f-electron hopping on ground states and valence transitions in the extended Falicov-Kimball model

    Science.gov (United States)

    Farkašovský, Pavol; Čenčariková, Hana

    2014-09-01

    The ground-state phase diagram of the extended Falicov-Kimball model with f- f electron hopping is studied numerically in the one-dimensional case. To identify the nature of ground states three complementary numerical methods are used, and namely, (i) the small-cluster exact-diagonalization method, (ii) the density-matrix-renormalization-group method (DMRG) and (iii) an approximate, but very accurate, numerical method based on the reduction of the Hilbert space. It is found that the physics of the Falicov-Kimball model found for the zero value of the f-electron hopping integral t f (including the existence of the devil's staircase structure) persists also at finite values of t f . The critical values of t c f below which the physics of the Falicov-Kimball model dominates are calculated numerically and it is shown that they depend very strongly on the f-electron concentration n f and only very weakly on the Coulomb interaction. In particular, we have found that for strong Coulomb interactions the value of t c f rapidly increases from t c f ~ 0.003 found for n f = 1 / 4 up to relatively large t c f ~ 0.4 found for n f near the half-filled band case n f = 1 / 2. In addition, the complete picture of valence transitions is presented for non-zero t f and strong Coulomb interactions.

  4. 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.

  5. 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 ...

  6. Magnetic properties of f-electron systems in spin-polarized relativistic density functional theory

    Science.gov (United States)

    Yamagami, H.; Mavromaras, A.; Kübler, J.

    1997-12-01

    The magnetic ground state of the series of lanthanide and actinide trivalent ions is investigated by means of spin-polarized relativistic spin-density functional theory. In the local density functional approximation (LDA) an internal effective magnetic field due to exchange and correlation couples to the spin degrees of freedom. The resulting set of coupled Dirac equations yields ground-state multiplets that obey the well-known Hund's rules. This remarkable result comes about by the coupling of the j = l + 1/2 with the j = l - 1/2 states due to the exchange - correlation potential that is, as usual, the functional derivative of the exchange - correlation energy with respect to the spin magnetic moment. The effect of the coupling is shown to depend on the varying relative strengths of spin - orbit coupling and exchange splitting within the f series. Since in the f levels the internal exchange splitting dominates rather than the spin - orbit splitting, the energy level scheme is that of the Paschen - Back effect, and thus features of the Russell - Saunders coupling persist in spite of relativistic effects.

  7. Structural properties and electronic structure of some ternary d-electron and f-electron intermetallics

    Science.gov (United States)

    Slebarski, A.; Orzechowska, M.; Wrona, A.; Szade, J.; Jezierski, A.

    2000-02-01

    We report on structural measurements on and electronic structure investigations of the alloyed compounds ZrNiSn, TiNiSn, CeNiSn and CeRhSb. We present measurements of lattice parameters as a function of temperature and analysis of a (T ) and its relation to icons/Journals/Common/chi" ALT="chi" ALIGN="TOP"/> T , icons/Journals/Common/chi" ALT="chi" ALIGN="TOP"/> being the magnetic susceptibility. We observed a linear dependence of a (T ) versus icons/Journals/Common/chi" ALT="chi" ALIGN="TOP"/> T for Zr, Ti and Ce alloys (for orthorhombic Ce alloys, the lattice parameters a , b and c scale linearly with icons/Journals/Common/chi" ALT="chi" ALIGN="TOP"/> T ). The x-ray photoelectron and ultraviolet photoemission spectra are further compared to the density of states, obtained from band-structure calculations.

  8. 5f-electronic states of neptunium compounds: NpGe{sub 3}, NpRhGa{sub 5} and NpCd{sub 11}

    Energy Technology Data Exchange (ETDEWEB)

    Onuki, Y; Yoshiuchi, S; Settai, R [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Aoki, D; Homma, Y; Shiokawa, Y [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Haga, Y; Sakai, H; Ikeda, S; Yamamoto, E; Nakamura, A [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Takeuchi, T [Low Temperature Center, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Yamagami, H, E-mail: onuki@phys.sci.osaka-u.ac.jp [Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan)

    2010-03-15

    We studied the electronic states of three typical neptunium compounds, NpGe{sub 3}, NpRhGa{sub 5} and NpCd{sub 11}. Among them, NpGe{sub 3} and NpCd{sub 11} with the cubic crystal structure are paramagnets without magnetic ordering, while NpRhGa{sub 5} with the tetragonal structure is an antiferromagnet. At high temperatures, the 5f electrons in NpGe{sub 3} are almost localized, and the magnetic susceptibility {chi}(T) approximately follows the Curie-Weiss law. With decreasing temperature, {chi}(T) shows a broad peak around 50 K, indicating a moderate heavy fermion state at lower temperatures. In fact, the results of the de Haas-van Alphen (dHvA) experiments for NpGe{sub 3} are well explained by the 5f-itinerant band model; namely, the 5f electrons contribute to the Fermi surface and the cyclotron effective mass. The cyclotron mass is thus enhanced, ranging from 2.6 to 16 times the rest mass of the electron m{sub 0}. In the antiferromagnet NpRhGa{sub 5}, it was clarified from the results of dHvA experiments and energy band calculations that the 5f electrons contribute to the Fermi surface. The cyclotron mass varies from 8.1 to 11.7 m{sub 0}, and the magnetic moment is 0.89 {mu}{sub B}/Np. In NpCd{sub 11}, the 5f electrons are localized in the whole temperature range and do not contribute to the Fermi surface. The corresponding cyclotron mass is thus light, below 1 m{sub 0}, revealing no hybridization between the localized 5f electrons and the conduction electrons. The Fermi surface consists of small closed Fermi surfaces, reflecting the small Brillouin zone associated to the large unit cell of the crystal structure in NpCd{sub 11}. The long Np-Np nearest-neighbor distance (6.568 A) results in the well localized 5f {sup 4}states. Magnetic susceptibility and magnetization curves are well explained in a crystalline electric field (CEF) scheme assuming a singlet ground state and an excited triplet state separated by a 120 K energy gap.

  9. Magnetic state of f electrons in {delta}-phase of Pu-Ga alloys studied by Ga NMR

    Energy Technology Data Exchange (ETDEWEB)

    Verkhovskii, S. [Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Kovalevskaya Str. 18, 620041 Ekaterinburg (Russian Federation); Piskunov, Yu. [Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Kovalevskaya Str. 18, 620041 Ekaterinburg (Russian Federation)], E-mail: piskunov@imp.uran.ru; Mikhalev, K.; Buzlukov, A.; Arkhipov, V. [Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Kovalevskaya Str. 18, 620041 Ekaterinburg (Russian Federation); Zouev, Yu. [RFNC-VNII Technical Physics named after acad. E.I. Zababakhin, Snezhinsk (Russian Federation); Korolev, A. [Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Kovalevskaya Str. 18, 620041 Ekaterinburg (Russian Federation); Lekomtsev, S.; Svyatov, I. [RFNC-VNII Technical Physics named after acad. E.I. Zababakhin, Snezhinsk (Russian Federation); Pogudin, A.; Ogloblichev, V. [Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Kovalevskaya Str. 18, 620041 Ekaterinburg (Russian Federation)

    2007-10-11

    {sup 69}Ga nuclear magnetic resonance (NMR) line shift ({sup 69}K) and nuclear spin-lattice relaxation rate ({sup 69}T{sub 1}{sup -1}) are measured for Pu{sub 0.95}Ga{sub 0.05} alloy, stabilized in {delta}-phase, in the temperature range 10 and 650 K at magnetic field of 9.4 T. The shift and {sup 69}T{sub 1}{sup -1} are determined correspondingly by the static and fluctuating-in-time parts of the local magnetic fields arisen at Ga due to transferred hyperfine coupling with the nearest f electron environment of more magnetic Pu. At T > 200 K, the temperature dependent part of the shift {sup 69}K(T) scales macroscopic magnetic susceptibility {chi}(T), following the Curie-Weiss law, and the product ({sup 69}T{sub 1}T) increases with temperature proportionally (T + 255){sup 1.5(1)}. Both of the NMR observations are typical of the incoherent spin fluctuation regime of f electrons in nonmagnetic 3D Kondo lattice. An estimate of the effective magnetic moment {mu}{sub eff,5f}(g{sub e} = 2) = 0.15(5){mu}{sub B} per Pu atom points out a strong suppression of the spin magnetism in the alloy.

  10. Emission spectroscopic properties of water soluble porphyrins in hydrogen peroxide chemiluminescence system with d- and f-electron metals

    Science.gov (United States)

    Staninski, Krzysztof; Kaczmarek, Małgorzata; Lis, Stefan; Elbanowski, Marian

    2003-02-01

    Two water-soluble porphyrins: 4,4',4'',4'''-(porphine-5,10,15,20-tetrayl)-tetrakis (benzoic acid) (TCPPH 2) and 4,4',4'',4'''-(porphine-5,10,15,20-tetrayl)-tetrakis (benzenesulfonic acid) (TSPPH 2) have been subjected to spectroscopic study in the presence of d-electron metals: Zn(II) and Cu(II) and f-electron metals: La(III), Eu(III), Gd (III) and Yb(III). Results of the spectrophotometric study have provided evidence proving the complexation of Cu(II) and Zn(II) cations by porphine in water solutions and the complexation of lanthanide ions exclusively by peripheral carboxyl and sulfonic groups. For the first time, chemiluminescence of the systems containing porphyrins has been measured without the use of strongly luminescent reagents such as TCPO or luminol. The emission spectra of the systems porphyrin/metal ion/H 2O 2 have been recorded and the quantum yield of their luminescence has been measured. The absorption spectra of the systems recorded before and after the reaction in the presence of hydrogen peroxide are identical, which means that the porphyrin ring does not undergo destruction. A significant similarity between the fluorescence and chemiluminescence spectra indicates a possibility of excitation of porphyrins and their complexes in the reaction with hydrogen peroxide.

  11. Effect of the substitution of f-electron elements on the structure and elastic properties of UO2

    Science.gov (United States)

    Behera, Rakesh K.; Deo, Chaitanya S.; Xu, Haixuan

    2013-02-01

    The chemistry of nuclear reactor fuel initially is complex, and continuous loss of uranium and plutonium, and formation of a broad range of new species due to fission introduce a challenging time-dependence to this chemistry. Lanthanides and/or Actinides substitution on the uranium sublattice occurs (a) during fission, (b) when mixed oxide fuel is used, and (c) when minor Actinides are reprocessed in UO2 matrix fuel as part of a closed nuclear fuel cycle. These fission products and minor Actinides influence a variety of thermo-physical properties, which depend on structure and elastic properties. How these structural and elastic properties vary with Lanthanide and Actinide substitution is not well studied. In this study we use atomic level simulations to investigate the effect of 4+ and 3+ ion substitutions on the structural and elastic properties of urania matrix. Our results show that most of the 4+ ions reduce the overall lattice parameter, while all the 3+ ions considered here increased the lattice parameter of the urania matrix. This effect is guided by the interplay between the elastic and electrostatic effect of the substituted ions. We calculate the chemical expansion and chemical expansion coefficient with the change in concentration based on the ionic radii of the substituted 3+ and 4+ ions. In general, elastic properties are enhanced for 4+ ions substitution and reduced for 3+ ion substitution.

  12. 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.

  13. Calculation of Linear Dichroism in the Ce 4d-Core XAS and 4f Electronic State of CeRh3B2

    Science.gov (United States)

    Jo, Takeo; Imada, Shin

    1990-07-01

    Linear dichroism in Ce 4d-core photoabsorption for CeRh3B2 with a hexagonal structure is discussed on the basis of an impurity Anderson model. The model takes into account the hybridization between the 4f orbit and conduction band states, multiplets arising from electrostatic interactions between electrons and crystalline anisotropy. In the paramagnetic state of the compound, the difference in the multiplet structure of 4d XAS is calculated between two incident beams with polarizations parallel and perpendicular to the c-axis with varying the crystalline field to increase the occupancy of the 4f state with the azimuthal quantum number m{=}0. The result shows that the dichroism is a promising characteristic to check recent theoretical predictions on the occupancy of the 4f state with m{=}0 in CeRh3B2 and therefore, to measure the crystal anisotropy.

  14. Anarchy, State, and Property

    Directory of Open Access Journals (Sweden)

    Lars Lindblom

    2014-01-01

    Full Text Available The fundamental function of the state is safeguarding the safety of its citizens. The combination of Nozick's invisible hand explanation with his theory of justice implies that individuals can have full private property rights in the state. An individual with such property rights thus has the right to sell and destroy what he or she owns. This implies that it is perfectly fair to buy a state and dismantle it, thereby leaving citizens without protection. I conclude that Nozick's theory of the state fails since it cannot guarantee the protection of its citizens' safety.

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

    Energy Technology Data Exchange (ETDEWEB)

    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 ..beta.. - UH/sub 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. Strongly correlated f-electron systems: A PES study

    Energy Technology Data Exchange (ETDEWEB)

    Arko, A.J.; Joyce, J.J.; Sarrao, J.; Thompson, J.D.; Morales, L. [Los Alamos National Lab., NM (United States); Fisk, Z. [Florida State Univ., Tallahassee, FL (United States); Henkie, Z.; Cichorek, T. [Trzebiatowski Inst., Wroclaw (Poland)

    1998-12-31

    The term heavy fermions refers to materials (thus far only compounds with elements having an unfilled 4f or 5f shells) whose large specific heat {gamma}-values suggest that the conduction electrons at low temperatures have a very heavy effective mass. Magnetic susceptibility measurements, {chi}, generally yield a Curie-Weiss behavior at high temperatures with a well developed moment, which would be consistent with localized behavior of the f-electrons. Thus, the f-electrons appear to behave as non-interacting single impurities at elevated temperature. Below a characteristic Kondo temperature, T{sub K}, the susceptibility levels off or even decreases. This is interpreted as a compensation of the f-moment by the ligand conduction electrons that are believed to align anti-parallel to form a singlet state and has led to the widespread use of the Anderson Impurity Hamiltonian and the Single Impurity Model (SIM). Weak hybridization with these conduction electrons yields a narrow, highly temperature dependent, DOS at the Fermi energy, often referred to as the Kondo resonance (KR). At still lower temperatures it is generally agreed that in stoichiometric compounds a lattice of these singlet states finally results in extremely narrow bands at the Fermi energy, whose bandwidth is of the order k{sub B}T{sub K}. Clearly coherent bands cannot form above T{sub K} owing to the narrow width. A model for periodic Kondo systems will inevitably have to include the lattice. Preliminary PAM calculations indicate that this inclusion yields results differing qualitatively, rather than just quantitatively, from the SIM predictions. The photoemission data on single crystal heavy fermions are consistent with the following PAM predictions: (1) the temperature dependence of the KR is much slower than expected from the SIM; indeed, it is primarily7 due to broadening and Fermi function truncation; (2) the spectral weight of the KR relative to the localized 4f feature (not discussed here) is

  17. 5f-Electron Delocalization in Americium

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1980-01-01

    The pressure-volume relation for americium has been obtained without adjustable parameters from self-consistent, spin-polarized band calculations. Around 100 kbar we find a first-order transition to a state with low volume and no spin. This is consistent with preliminary high-pressure measurements....

  18. Effect of super-exchange interaction on ground state magnetic properties of spin-dependent Falicov-Kimball model on a triangular lattice

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sant, E-mail: santkumar1210@gmail.com; Maitra, Tulika; Singh, Ishwar [Department of Physics, Indian Institute of Technology Roorkee, Roorkee-247667, Uttarakhand (India); Yadav, Umesh K. [Center for Condensed Matter Theory, Indian Institute of Science, Bangalore-560012 (India)

    2015-06-24

    Ground state magnetic properties are studied by incorporating the super-exchange interaction (J{sub se}) in the spin-dependent Falicov-Kimball model (FKM) between localized (f-) electrons on a triangular lattice for half filled case. Numerical diagonalization and Monte-Carlo simulation are used to study the ground state magnetic properties. We have found that the magnetic moment of (d-) and (f-) electrons strongly depend on the value of Hund’s exchange (J), super-exchange interaction (J{sub se}) and also depends on the number of (d-) electrons (N{sub d}). The ground state changes from antiferromagnetic (AFM) to ferromagnetic (FM) state as we decrease (N{sub d}). Also the density of d electrons at each site depends on the value of J and J{sub se}.

  19. Effect of super-exchange interaction on ground state magnetic properties of spin-dependent Falicov-Kimball model on a triangular lattice

    Science.gov (United States)

    Kumar, Sant; Yadav, Umesh K.; Maitra, Tulika; Singh, Ishwar

    2015-06-01

    Ground state magnetic properties are studied by incorporating the super-exchange interaction (Jse) in the spin-dependent Falicov-Kimball model (FKM) between localized (f-) electrons on a triangular lattice for half filled case. Numerical diagonalization and Monte-Carlo simulation are used to study the ground state magnetic properties. We have found that the magnetic moment of (d-) and (f-) electrons strongly depend on the value of Hund's exchange (J), super-exchange interaction (Jse) and also depends on the number of (d-) electrons (Nd). The ground state changes from antiferromagnetic (AFM) to ferromagnetic (FM) state as we decrease (Nd). Also the density of d electrons at each site depends on the value of J and Jse.

  20. Co-existence of superconductivity and ferromagnetism in f-electron metals.

    Science.gov (United States)

    Huxley, Andrew

    2002-03-01

    In itinerant ferromagnets a strong spin polarisation might be expected to suppress any possibility of spin-singlet superconductivity. However spin triplet superconductivity may still occur if there is an appropriate pairing interaction and the material is sufficiently clean. The experimental evidence that a bulk superconducting state is indeed realised in two different f-electron ferromagnets will be reviewed, along with the special factors that might favour such a state. For UGe_2, samples that satisfy the clean limit condition are easily prepared. The superconducting transition temperature is however closely correlated with the proximity to a critical point for a magnetic transition within the ferromagnetic state, which is achieved only at high pressure. The same factors, perhaps related to Fermi surface nesting, which give rise to this complex magnetic behaviour, therefore appear to be implicated in the superconducting pairing. Superconductivity in ferromagnetic URhGe occurs at zero pressure, which has facilitated extensive magnetisation and heat-capacity studies. These confirm both the bulk nature of the two transitions and the co-existence of the two orders (ferromagnetism and superconductivity). Further, as expected for non s-wave pairing, it is found that only samples with a sufficiently low residual resistivity show superconductivity. In contrast to UGe_2, the magnetic state in URhGe behaves in accordance with the simplest version of the Moriya-Lonzarich theory. This, as well as the recent report that that the cubic itinerant ferromagnet ZrZn2 shows a low temperature transition, interpreted as an incomplete transition to superconductivity, suggest that superconductivity could occur more commonly in clean ferromagnets. The observed superconducting properties of UGe2 and URhGe appear to be consistent with a particular symmetry of the order parameter in these lower symmetry materials. Their lower symmetries also lead to several advantages relating to the

  1. Microscopic Theory of Multipole Ordering in f-Electron Systems

    Directory of Open Access Journals (Sweden)

    Takashi Hotta

    2012-01-01

    Full Text Available A microscopic framework to determine multipole ordering in f-electron systems is provided on the basis of the standard quantum field theory. For the construction of the framework, a seven-orbital Hubbard Hamiltonian with strong spin-orbit coupling is adopted as a prototype model. A type of multipole and ordering vector is determined from the divergence of multipole susceptibility, which is evaluated in a random phase approximation. As an example of the application of the present framework, a multipole phase diagram on a three-dimensional simple cubic lattice is discussed for the case of n=2, where n denotes the average f-electron number per site. Finally, future problems concerning multipole ordering and fluctuations are briefly discussed.

  2. Dual nature of the 5f electrons in plutonium materials

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, J.J. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)]. E-mail: jjoyce@lanl.gov; Wills, J.M. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Durakiewicz, T. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Butterfield, M.T. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Guziewicz, E. [Institute of Physics, Polish Academy of Sciences, Warszawa (Poland); Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Moore, D.P. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Sarrao, J.L. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Morales, L.A. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Arko, A.J. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Eriksson, O. [Department of Physics, Uppsala University, Box 530 (Sweden); Delin, A. [Materialvetenskap, KTH, SE-10044 Stockholm (Sweden); Graham, K.S. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2006-05-01

    The electronic structure of select Pu materials is examined by means of photoemission (PES) and model calculations. We present the first photoemission results and electronic structure calculations for the material PuIn{sub 3}. Results for Pu materials, including the cubic delta-phase metal and the superconductor PuCoGa{sub 5}, give indication of the 5f electrons exhibiting both localized and itinerant character. These new results for PuIn{sub 3} place this compounds also in the 5f dual nature category. The dual nature of the Pu 5f electrons demarks the boundary between localized and itinerant 5f character in the actinides.The photoemission data for {delta}-Pu, PuIn{sub 3} and PuCoGa{sub 5} are compared against model calculations. The calculations are a mixed level model (MLM) which is a multi-electron extension of the generalized gradient approximation. Using the MLM, one obtains good agreement for the volume and total energy minimum with 4 of 5 Pu 5f electrons localized. The calculations also agree well with the PES spectra. Other computational schemes and interpretations are also reviewed.

  3. Pump-probe reflectivity study of ultrafast dynamics of strongly correlated 5f electrons inUO2

    Energy Technology Data Exchange (ETDEWEB)

    Au, Yongqiang Q [Los Alamos National Laboratory; Taylor, Antoinette J [Los Alamos National Laboratory; Durakiewicz, Tomasz [Los Alamos National Laboratory; Rodriguez, George [Los Alamos National Laboratory

    2010-01-01

    5f electrons in the Mott insulator UO{sub 2} produce intriguing electronic states and dynamics, such as strong correlation and f-f excitations. We have performed femtosecond pump-probe reflectivity measurements on a single crystal UO{sub 2} at temperatures 5-300 K to study the ultrafast dynamics of photoexcited 5f electrons. The laser pulses at 400 nm pump 5 f electrons across the Mott gap, while those at 800 nm probe the pump-induced change of reflectivity. We find temperature-dependent excitation and relaxation processes and long-lived acoustic phonons, and extract picosecond risetimes and microsecond relaxation times at low temperatures. The observed slow relaxation is ascribed to the decay of Hubbard excitons formed by U{sup 3+}-U{sup 5+} pairs.

  4. Study of magnetic properties of spin-dependent Falicov-Kimball model on a triangular lattice

    Science.gov (United States)

    Kumar, Sant; Yadav, Umesh K.; Maitra, Tulika; Singh, Ishwar

    2013-02-01

    Numerical diagonalization technique and Monte-Carlo simulation algorithm is used to study the ground state properties of spin-dependent Falicov-Kimball model (FKM) on a triangular lattice for 1/3 filling of itinerant (d) and localized (f) electrons. We have found that the ground state configurations are of long range Neel ordered antiferromagnetic, ferromagnetic or mixture of anti-ferromagnetic and ferromagnetic type for different values of exchange correlation (J). The magnetization of d and f-electrons increases with increasing the exchange correlation (J) between d and f-electrons and then decreases with further increasing the value of J.

  5. 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.

  6. Signature of f -electron conductance in α -Ce single-atom contacts

    Science.gov (United States)

    Kuntz, Sebastian; Berg, Oliver; Sürgers, Christoph; Löhneysen, Hilbert v.

    2017-08-01

    Cerium is a fascinating element exhibiting, with its different phases, long-range magnetic order and superconductivity in bulk form. The coupling of the 4 f electron to s d conduction electrons and to the lattice is responsible for unique structural and electronic properties like the isostructural first-order solid-solid transition from the cubic γ phase to the cubic α phase, which is accompanied by a huge volume collapse of 14%. We report experiments aiming at disentangling the 4 f contribution to the electric conductance of the different phases. On single-atom Ce contacts we observe a strongly enhanced conductance G . By controlling the content of α -Ce employing different rates of cooling, we find a strong correlation between the fraction of α -Ce and the magnitude of G at the last conductance plateau before the contact breaks. We attribute the enhanced conductance of α -Ce to the additional contribution of the 4 f level.

  7. Electron correlation and relativity of the 5f electrons in the U-Zr alloy system

    Science.gov (United States)

    Söderlind, P.; Sadigh, B.; Lordi, V.; Landa, A.; Turchi, P. E. A.

    2014-01-01

    difference occurs well above the Fermi level, and this also explains why SOC is more important for the heavier metals Pu and Am [12]. Because of the very small influence of SOC on V and B for γ-U, one may argue that also the formation enthalpies for the U-Zr system, that substantially depend on these properties, are insensitive to the SOC, contrary to the conclusion by Xiong et al. [1].Next, we address the issue of strong electron correlation and the need for an LSDA + U type of approach for γ-uranium. Searching through the literature we could not find any publication where the LSDA + U methodology was applied to uranium metal, except that of [1], but for uranium oxides they are plentiful. However, we found that it has been considered for its nearest-neighbor metals Pa [13] and Np [14] (U lies between them in the periodic table). These publications suggest that LSDA + U are not necessary for the metals while for their oxides it is relevant, although the methodology itself is phenomenological. Focusing first on the uranium ground state, orthorhombic α-U, equilibrium and structural properties [11], elastic constants [11,15], phonon spectra [16], various defects [17-19], and even subtle electronic-structure details related to the charge-density waves [20] are all satisfactorily described within conventional DFT. These results clearly imply that LSDA + U are not a relevant or necessary scheme for α-uranium. How about the high-temperature γ phase?The γ phase is stable at temperatures above 1100 K and it has a significantly larger volume than α-U, see Table 1. One may suspect that this is due to f-electron localization (strong f-electron correlation), but it actually stems from normal thermal volume expansion.In Fig. 2 we show the calculated α-U thermal volume expansion, using a parameter-free Debye-Grüneisen quasi-harmonic theory [21,22]. Also included are experimental data points taken from Donohue [23]. The good agreement with experiment for the linear expansion

  8. Shock equation of state properties of concrete

    Energy Technology Data Exchange (ETDEWEB)

    Grady, D.

    1996-03-01

    Unique shock compression experiments have been developed and pursued which provide material equation of state data for dynamic strength, pore crush, shock Hugoniot and adiabatic decompression. Experimental data have been obtained on an aggregate concrete to Hugoniot pressures of 25 GPa. New analytic methods were developed to extract equation-of-state properties from dynamic test data. Unexpected residual strain results are compared with expected thermal expansion and dilatancy properties of concrete.

  9. 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.

  10. 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

  11. Operator properties of generalized coherent state systems

    Indian Academy of Sciences (India)

    N Mukunda

    2001-02-01

    The main properties of standard quantum mechanical coherent states and the two generalizations of Klauder and of Perelomov are reviewed. For a system of generalized coherent states in the latter sense, necessary and sufficient conditions for existence of a diagonal coherent stable representation for all Hilbert-Schmidt operators are obtained. The main ingredients are Clebsch-Gordan theory and induced representation theory.

  12. Thermodynamic Properties from Corresponding States Theory

    DEFF Research Database (Denmark)

    Mollerup, Jørgen

    1980-01-01

    —Leland corresponding-states theory. Different fluid approximations for mixtures have been applied to the various corresponding states approaches. The resulting computation methods have been applied to calculate saturation properties of pure fluids and separation factors in binary mixtures for some fluids commonly...... encountered in natural gas and petroleum refining operations. Finally it is shown that the binary interaction parameters depend only on the fluid approximation and not on the specific form of the potential....

  13. Phase stability in heavy f-electron metals from first-principles theory

    Energy Technology Data Exchange (ETDEWEB)

    Soderlind, P

    2005-11-17

    The structural phase stability of heavy f-electron metals is studied by means of density-functional theory (DFT). These include temperature-induced transitions in plutonium metal as well as pressure-induced transitions in the trans-plutonium metals Am, Cm, Bk, and Cf. The early actinides (Th-Np) display phases that could be rather well understood from the competition of a crystal-symmetry breaking mechanism (Peierls distortion) of the 5f states and electrostatic forces, while for the trans-plutonium metals (Am-Cf) the ground-state structures are governed by 6d bonding. We show in this paper that new physics is needed to understand the phases of the actinides in the volume range of about 15-30 {angstrom}{sup 3}. At these volumes one would expect, from theoretical arguments made in the past, to encounter highly complex crystal phases due to a Peierls distortion. Here we argue that the symmetry reduction associated with spin polarization can make higher symmetry phases competitive. Taking this into account, DFT is shown to describe the well-known phase diagram of plutonium and also the recently discovered complex and intriguing high-pressure phase diagrams of Am and Cm. The theory is further applied to investigate the behaviors of Bk and Cf under compression.

  14. 77 FR 27612 - Modifications to Definition of United States Property

    Science.gov (United States)

    2012-05-11

    ... Internal Revenue Service 26 CFR Part 1 RIN 1545-BK11 Modifications to Definition of United States Property... or clearing agency do not constitute United States property. These regulations affect United States...)) that invests certain earnings and profits in United States property (U.S. property) ``on the...

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

    Science.gov (United States)

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

    2014-10-15

    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.

  16. Magnetic properties of ground-state mesons

    Energy Technology Data Exchange (ETDEWEB)

    Simonis, V. [Vilnius University Institute of Theoretical Physics and Astronomy, Vilnius (Lithuania)

    2016-04-15

    Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties (i.e., usual magnetic moments) to be of sufficiently high quality, too. (orig.)

  17. Magnetic properties of ground-state mesons

    CERN Document Server

    Simonis, Vytautas

    2016-01-01

    Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties (usual magnetic moments) to be of sufficiently high quality, too.

  18. Modeling the chemical shift of lanthanide 4f electron binding energies

    NARCIS (Netherlands)

    Dorenbos, P.

    2012-01-01

    Lanthanides in compounds can adopt the tetravalent [Xe]4fn−1 (like Ce4+, Pr4+, Tb4+), the trivalent [Xe]4fn (all lanthanides), or the divalent [Xe]4f n+1 configuration (like Eu2+, Yb2+, Sm2+, Tm2+). The 4f-electron binding energy depends on the charge Q of the lanthanide ion and its chemical environ

  19. 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 locali...... and the critical separation is found to take place between plutonium and americium....

  20. 77 FR 27669 - Modifications to Definition of United States Property

    Science.gov (United States)

    2012-05-11

    ... Internal Revenue Service 26 CFR Part 1 RIN 1545-BK10 Modifications to Definition of United States Property... clearing agency do not constitute United States property. The text of the temporary regulations also serves... Federal Register establish an exception to the definition of United States property (within the meaning...

  1. a Study of F-Electrons Behavior in Cerium-Based Intermetallics with the COPPER(3) Gold Structure

    Science.gov (United States)

    Rahman, Shamsur

    We have measured the thermodynamic and transport properties of new system CeTl_3 and then alloying Tl with Pb, Sn and In to see how the f-electrons behavior evolves as one goes in between two radically different groundstates. The measurements include the room temperature lattice constant, magnetic susceptibility, specific heat and electrical resistivity of the pseudobinary alloys Ce(Tl_{1-x}Pb _{x})_3, Ce(Tl_{1-x}Sn _{x})_3 and Ce(Tl_{1-x}In _{x})_3, where 0 Hewson theory in a mixed valent-trivalent system. In Ce(Tl_{rm 1-x} In_{x})_3 alloy, the Neel temperature, electronic specific heat coefficient and paramagnetic Curie temperature all increase monotonically with In concentration. The rapid increase of later is consistent with the notion that the system evolves from a weak to a dense Kondo system which is also evident from the resistivity data.

  2. Ground State Properties of Neutron Magic Nuclei

    CERN Document Server

    Saxena, G

    2016-01-01

    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 (rmf) plus Bardeen Cooper Schrieffer (BCS) 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 non relativistic 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.

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

    Science.gov (United States)

    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.

    2016-06-01

    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 Yb2Pt2Pb overturn this conventional wisdom. We observe broad magnetic continuum dispersing in only one direction, which indicates that the underlying elementary excitations are spinons carrying fractional spin-1/2. These spinons are the emergent quantum dynamics of the anisotropic, orbital-dominated Yb moments. Owing to their unusual origin, only longitudinal spin fluctuations are measurable, whereas the transverse excitations such as spin waves are virtually invisible to magnetic neutron scattering. The proliferation of these orbital spinons strips the electrons of their orbital identity, resulting in charge-orbital separation.

  4. Investigation of equation of states and electronic properties of Am and Cm metals in their gamma plutonium phase using GGA+SO+U method

    Science.gov (United States)

    Verma, Ashok K.; Modak, P.; Sharma, Surinder M.; Sikka, S. K.

    2013-06-01

    Pressure-volume equation of state for Am and Cm metals were studied in their gamma plutonium phase using GGA+SO+U method. Non-magnetic density functional theory with GGA exchange-correlation failed to estimate structural parameters and equation of states accurately. As expected, inclusion of onsite Hubbard interaction (U) between 5f electrons shows enormous effect on electronic and bulk properties. Nonmagnetic GGA+SO+U (=4.0 eV for Am and 5.5 eV for Cm) calculated EOS gives very good match with that of experimental data. Equally good match of EOS was found for spin-polarized GGA+SO+U calculations with much smaller Hubbard parameter.

  5. Excited State Properties of Hybrid Perovskites.

    Science.gov (United States)

    Saba, Michele; Quochi, Francesco; Mura, Andrea; Bongiovanni, Giovanni

    2016-01-19

    perovskites behave as free-charge semiconductors. Thanks to such property, in combination with band gap energies covering the entire solar spectrum, perovskites represent a promising materials platform for highly efficient, single and multijunction solar cells. Concerning the use of perovskites as color-tunable materials in light emitting devices, free-charges are not the preferred species, as they recombine radiatively through a bimolecular process that is inefficient at the charge-injection levels typical of LED operation. Strategies to overcome this limit, and thus extend the use of perovskite materials beyond solar energy conversion, could be borrowed from inorganic semiconductor optoelectronics and include the fabrication of nanostructures with reduced dimensionality to alter the electronic density of states, as well as engineering composite materials.

  6. Properties of multi-partite dark states

    OpenAIRE

    Kok, Pieter; Nemoto, Kae; Munro, William J.

    2002-01-01

    We investigate and define dark and semi-dark states for multiple qudit systems. For two-level systems, semi-dark and dark states are equivalent. We show that the semi-dark states are equivalent to the singlet states of the rotation group. They exist for many multiple qudit systems, whereas dark states are quite rare. We then show that when a dark state is collapsed onto another dark state of fewer parties, the resulting state is again dark. Furthermore, one can use two orthogonal multi-qudit ...

  7. Optical properties and electronic structures of d- and f-electron metals and alloys, Ag-In, Ni-Cu, AuGa sub 2 , PtGa sub 2 ,. beta. prime -NiAl,. beta. prime -CoAl, CeSn sub 3 , and LaSn sub 3

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kwang Joo.

    1990-10-17

    Optical properties and electronic structures of disordered Ag{sub 1- x}In{sub x}(x = 0.0, 0.04, 0.08, 0.12) and Ni{sub 1-x}Cu{sub x} (x = 0.0, 0.1, 0.3, 0.4) alloys and ordered AuGa{sub 2}, PtGa{sub 2}, {beta}{prime}-NiAl, {beta}{prime}-CoAl, CeSn{sub 3}, and LaSn{sub 3} have been studied. The complex dielectric functions have been determined for Ag{sub 1-x}In{sub x}, Ni{sub 1-x}Cu{sub x}, AuGa{sub 2}, and PtGa{sub 2} in the 1.2--5.5 eV region and for CeSn{sub 3} and LaSn{sub 3} in the 1.5--4.5 eV region using spectroscopic ellipsometry. Self-consistent relativistic band calculations using the linearized-augmented-plane-wave method have been performed for AuGa{sub 2}, PtGa{sub 2}, {beta}{prime}-NiAl, {beta}{prime}-CoAl, CeSn{sub 3}, and LaSn{sub 3} to interpret the experimental optical spectra.

  8. Squeezing Properties of the Generalized Multimode Squeezed States

    Institute of Scientific and Technical Information of China (English)

    SONGTong-Qiang

    2001-01-01

    By means of the invariance of Weyl ordering under similar transformations we derive the explicit form of the generalized multimode squeezed states.Moreover,the completeness relation and the squeezing properties of the generalized multimode squeezed states are discussed.

  9. Squeezing Properties of the Generalized Multimode Squeezed States

    Institute of Scientific and Technical Information of China (English)

    SONG Tong-Qiang

    2001-01-01

    By means of the invariance of Weyl ordering under similar transformations we derive the explicit form of the generalized multimode squeezed states. Moreover, the completeness relation and the squeezing properties of the generalized multimode squeezed states are discussed.

  10. Entangled States Used in Remote Information Concentration and Their Properties

    Institute of Scientific and Technical Information of China (English)

    CHEN Yin-Hua; YU Ya-Fei; ZHANG Zhi-Ming

    2006-01-01

    We analyse a process of remote information concentration achieved by the W state. The result turns out to be neither as good as performed by the GHZ state nor as by the Smolin bound entangled state. Based on this particular phenomenon, the properties of the three entangled states are realized.

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

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, D. [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan)]. E-mail: aoki@imr.tohoku.ac.jp; Yamagami, H. [Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan); Homma, Y. [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Sakai, H. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Ikeda, S. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Shiokawa, Y. [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Yamamoto, E. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Nakamura, A. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Haga, Y. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Settai, R. [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Onuki, Y. [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

    2007-03-15

    We grew high-quality single crystals of NpGe{sub 3}, NpIn{sub 3}, NpCoGa{sub 5}, NpRhGa{sub 5} and NpFe{sub 4}P{sub 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{sub 3}, NpCoGa{sub 5} and NpRhGa{sub 5} were well explained by the energy band calculation based on the 5f-itinerant model, while the topology of Fermi surfaces in NpIn{sub 3} is similar to those of LaIn{sub 3}, implying the 5f-localized nature of NpIn{sub 3}. The skutterudite compound NpFe{sub 4}P{sub 12} is a low carrier system with the 5f{sup 3} configuration.

  12. Uncoupled Dark States Can Inherit Polaritonic Properties

    Science.gov (United States)

    Gonzalez-Ballestero, Carlos; Feist, Johannes; Gonzalo Badía, Eduardo; Moreno, Esteban; Garcia-Vidal, Francisco J.

    2016-10-01

    When a collection of quantum emitters interacts with an electromagnetic field, the whole system can enter into the collective strong coupling regime in which hybrid light-matter states, i.e., polaritons can be created. Only a small portion of excitations in the emitters are coupled to the light field, and there are many dark states that, in principle, retain their pure excitonic nature. Here we theoretically demonstrate that these dark states can have a delocalized character, which is inherent to polaritons, despite the fact that they do not have a photonic component. This unexpected behavior only appears when the electromagnetic field displays a discrete spectrum. In this case, when the main loss mechanism in the hybrid system stems from the radiative losses of the light field, dark states are even more efficient than polaritons in transferring excitations across the structure.

  13. Intellectual property, state sovereignty, and biotechnology.

    Science.gov (United States)

    Brody, Baruch A

    2010-03-01

    The issue of biopiracy has attracted considerable attention in recent years. The Convention on Biological Diversity adopted a principle of state sovereignty over biological resources and the genetic information contained within those resources to address this issue. It is argued that this principle has not been adequately justified and that there are other solutions to the issue of biopiracy, based on different theories of justice, that deserve greater consideration. These alternatives include the common heritage of mankind principle and the global commons principle.

  14. Ab initio equation-of-state and elastic properties of Pu metal and Pu-Ga alloys

    Science.gov (United States)

    Per, Soderlind; Landa, Alex

    2010-03-01

    We present results of ab initio calculations of equation-of-state and elastic properties for Pu metal and Pu-Ga alloys. For this we have employed density-functional theory (DFT) in conjunction with spin-orbit coupling and orbital polarization for the metal and coherent-potential approximation (CPA) for the alloys. All Pu systems benefit from spin polarization which is consistent with previous DFT studies of plutonium. We show that orbital correlations become more important proceeding from α->β->γ plutonium, thus suggesting increasing f-electron correlation (localization). For δ-Pu- Ga alloys we find that the system softens with larger Ga content, i.e., bulk modulus, elastic constants, and chemical bonding weakens with increasing Ga concentration. This inverse relationship is nearly linear and supported by measurements on polycrystal δ-Pu-Ga alloys. For Pu metal, our single-crystal results also relates reasonably with ultrasound data on polycrystal samples where available. The comparison is indirect but made possible by approximating the polycrystal with an isotropic (uniform strain) single crystal. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  15. Topological properties of flat electroencephalography's state space

    Science.gov (United States)

    Ken, Tan Lit; Ahmad, Tahir bin; Mohd, Mohd Sham bin; Ngien, Su Kong; Suwa, Tohru; Meng, Ong Sie

    2016-02-01

    Neuroinverse problem are often associated with complex neuronal activity. It involves locating problematic cell which is highly challenging. While epileptic foci localization is possible with the aid of EEG signals, it relies greatly on the ability to extract hidden information or pattern within EEG signals. Flat EEG being an enhancement of EEG is a way of viewing electroencephalograph on the real plane. In the perspective of dynamical systems, Flat EEG is equivalent to epileptic seizure hence, making it a great platform to study epileptic seizure. Throughout the years, various mathematical tools have been applied on Flat EEG to extract hidden information that is hardly noticeable by traditional visual inspection. While these tools have given worthy results, the journey towards understanding seizure process completely is yet to be succeeded. Since the underlying structure of Flat EEG is dynamic and is deemed to contain wealthy information regarding brainstorm, it would certainly be appealing to explore in depth its structures. To better understand the complex seizure process, this paper studies the event of epileptic seizure via Flat EEG in a more general framework by means of topology, particularly, on the state space where the event of Flat EEG lies.

  16. Study of ground state phases for spin-1/2 Falicov-Kimball model on a triangular lattice

    Science.gov (United States)

    Kumar, Sant; Yadav, Umesh K.; Maitra, T.; Singh, Ishwar

    2014-07-01

    The spin-dependent Falicov-Kimball model (FKM) is studied on a triangular lattice using numerical diagonalization technique and Monte-Carlo simulation algorithm. Magnetic properties have been explored for different values of parameters: on-site Coulomb correlation U, exchange interaction J and filling of electrons. We have found that the ground state configurations exhibit long range Neèl order, ferromagnetism or a mixture of both as J is varied. The magnetic moments of itinerant (d) and localized (f) electrons are also studied. For the one-fourth filling case we found no magnetic moment from d- and f-electrons for U less than a critical value.

  17. Searches for, and Properties of, New Charmonium-like States

    CERN Document Server

    Jackson, Paul D

    2008-01-01

    I review the recent $B$-factory measurements of new states which, in some cases, exhibit Charmonium-like properties, and in other cases suggest the existence of a new spectroscopy. Several theoretical interpretations of the new states have come to the fore although, at time of writing, we are no closer to untangling the nature of most of the particles making up the observed new zoo of states.

  18. The influence of the interband Coulomb interaction and the f-electron hopping on excitonic correlations in the extended Falicov-Kimball model

    Science.gov (United States)

    Farkašovský, Pavol

    2015-05-01

    The density matrix renormalization group (DMRG) method is used to examine the effects of the interband Coulomb interaction U between f and d electrons as well as the f-electron hopping on the stability of the excitonic phase in the one-dimensional Falicov-Kimball model (FKM) with local hybridization V. It is found that the interband Coulomb interaction significantly enhances the excitonic Pdf= average and that this effect is especially strong in the limit of small hybridization, where the interacting Pdf(U) excitonic value is enhanced several hundred times in comparison to its non-interacting Pdf(U=0) value. The further increase in P df is observed due to the non-zero f-electron hopping, but these changes are considerable only if the d and f bands have opposite parity. In addition, the examination of the interplay between the excitonic effects and the charge density wave (CDW) instability showed that the CDW and excitonic phase coexist up to relatively large values of local hybridization (V ∼ 0.13) . The ground-state phase diagram of the model in the V\\text-U plane is discussed.

  19. Experimental Investigation of Magnetic, Superconducting, and other Phase Transitions in novel F-Electron Materials at Ultra-high Pressures - Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Maple, Brian; Jeffires, Jason

    2006-07-28

    This grant, entitled “Experimental investigation of magnetic, superconducting and other phase transitions in novel f-electron materials at ultrahigh pressures,” spanned the funding period from May 1st, 2003 until April 30th, 2006. The major goal of this grant was to develop and utilize an ultrahigh pressure facility—capable of achieving very low temperatures, high magnetic fields, and extreme pressures as well as providing electrical resistivity, ac susceptibility, and magnetization measurement capabilities under pressure—for the exploration of magnetic, electronic, and structural phases and any corresponding interactions between these states in novel f-electron materials. Realizing this goal required the acquisition, development, fabrication, and implementation of essential equipment, apparatuses, and techniques. The following sections of this report detail the establishment of an ultrahigh pressure facility (Section 1) and measurements performed during the funding period (Section 2), as well as summarize the research project (Section 3), project participants and their levels of support (Section 4), and publications and presentations (Section 5).

  20. Direct evidence for a magnetic f-electron-mediated pairing mechanism of heavy-fermion superconductivity in CeCoIn5.

    Science.gov (United States)

    Van Dyke, John S; Massee, Freek; Allan, Milan P; Davis, J C Séamus; Petrovic, Cedomir; Morr, Dirk K

    2014-08-12

    To identify the microscopic mechanism of heavy-fermion Cooper pairing is an unresolved challenge in quantum matter studies; it may also relate closely to finding the pairing mechanism of high-temperature superconductivity. Magnetically mediated Cooper pairing has long been the conjectured basis of heavy-fermion superconductivity but no direct verification of this hypothesis was achievable. Here, we use a novel approach based on precision measurements of the heavy-fermion band structure using quasiparticle interference imaging to reveal quantitatively the momentum space (k-space) structure of the f-electron magnetic interactions of CeCoIn5. Then, by solving the superconducting gap equations on the two heavy-fermion bands Ek(α,β) with these magnetic interactions as mediators of the Cooper pairing, we derive a series of quantitative predictions about the superconductive state. The agreement found between these diverse predictions and the measured characteristics of superconducting CeCoIn5 then provides direct evidence that the heavy-fermion Cooper pairing is indeed mediated by f-electron magnetism.

  1. q -deformed noncommutative cat states and their nonclassical properties

    Science.gov (United States)

    Dey, Sanjib

    2015-02-01

    We study several classical-like properties of q -deformed nonlinear coherent states as well as nonclassical behaviors of q -deformed version of the Schrödinger cat states in noncommutative space. Coherent states in q -deformed space are found to be minimum uncertainty states together with the squeezed photon distributions unlike the ordinary systems, where the photon distributions are always Poissonian. Several advantages of utilizing cat states in noncommutative space over the standard quantum mechanical spaces have been reported here. For instance, the q -deformed parameter has been utilized to improve the squeezing of the quadrature beyond the ordinary case. Most importantly, the parameter provides an extra degree of freedom by which we achieve both quadrature squeezed and number squeezed cat states at the same time in a single system, which is impossible to achieve from ordinary cat states.

  2. q-deformed noncommutative cat states and their nonclassical properties

    CERN Document Server

    Dey, Sanjib

    2015-01-01

    We study several classical like properties of q-deformed nonlinear coherent states as well as nonclassical behaviours of q-deformed version of the Schrodinger cat states in noncommutative space. Coherent states in q-deformed space are found to be minimum uncertainty states together with the squeezed photon distributions unlike the ordinary systems, where the photon distributions are always Poissonian. Several advantages of utilising cat states in noncommutative space over the standard quantum mechanical spaces have been reported here. For instance, the q-deformed parameter has been utilised to improve the squeezing of the quadrature beyond the ordinary case. Most importantly, the parameter provides an extra degree of freedom by which we achieve both quadrature squeezed and number squeezed cat states at the same time in a single system, which is impossible to achieve from ordinary cat states.

  3. The properties of squeezed optical states created in lossy cavities

    CERN Document Server

    Seifoory, Hossein; Dignam, Marc M; Sipe, J E

    2016-01-01

    We investigate theoretically the properties of squeezed states generated using degenerate parametric down conversion in lossy cavities. We show that the Lindblad master equation, which governs the evolution of this system, has as its solution a squeezed thermal state with an effective temperature and squeezing parameter that depends on time. We derive analytical solutions for the time-evolution of quadrature noise, thermal photon number, squeezing parameter, and total photon number under different pumping regimes. We also find the steady state limits of the quadrature noises and discuss the $ g^{(2)} $ factor of the generated light inside the cavity in the steady state.

  4. Excited-State Properties of Molecular Solids from First Principles

    Science.gov (United States)

    Kronik, Leeor; Neaton, Jeffrey B.

    2016-05-01

    Molecular solids have attracted attention recently in the context of organic (opto)electronics. These materials exhibit unique charge carrier generation and transport phenomena that are distinct from those of conventional semiconductors. Understanding these phenomena is fundamental to optoelectronics and requires a detailed description of the excited-state properties of molecular solids. Recent advances in many-body perturbation theory (MBPT) and density functional theory (DFT) have made such description possible and have revealed many surprising electronic and optical properties of molecular crystals. Here, we review this progress. We summarize the salient aspects of MBPT and DFT as well as various properties that can be described by these methods. These properties include the fundamental gap and its renormalization, hybridization and band dispersion, singlet and triplet excitations, optical spectra, and excitonic properties. For each, we present concrete examples, a comparison to experiments, and a critical discussion.

  5. Solid state proton conductors properties and applications in fuel cells

    CERN Document Server

    Knauth, Philippe

    2012-01-01

    Proton conduction can be found in many different solid materials, from organic polymers at room temperature to inorganic oxides at high temperature. Solid state proton conductors are of central interest for many technological innovations, including hydrogen and humidity sensors, membranes for water electrolyzers and, most importantly, for high-efficiency electrochemical energy conversion in fuel cells. Focusing on fundamentals and physico-chemical properties of solid state proton conductors, topics covered include: Morphology and Structure of Solid Acids Diffusion in Soli

  6. Prediction Of Refrigerant Thermodynamic Properties By Equations Of State

    OpenAIRE

    Moshfeghian, Mahmood Moshfeghian, Mahmood

    1992-01-01

    The ability of three equations of state (EOS) for calculating the thermodynamic properties of refrigerants has been studied for 35 pure component refrigerants. Three equations of state studied were the Soave-Redlich-Kwong (SRK), Peng-Robinson (PR) and Parameters From Group Contribution (PFGC). For each refrigerant, the vapor pressure, saturated vapor volume, saturated liquid density, and heat of vaporization were calculated and compared with the values reported in the ASHRAE hand-book. For...

  7. A local Echo State Property through the largest Lyapunov exponent.

    Science.gov (United States)

    Wainrib, Gilles; Galtier, Mathieu N

    2016-04-01

    Echo State Networks are efficient time-series predictors, which highly depend on the value of the spectral radius of the reservoir connectivity matrix. Based on recent results on the mean field theory of driven random recurrent neural networks, enabling the computation of the largest Lyapunov exponent of an ESN, we develop a cheap algorithm to establish a local and operational version of the Echo State Property.

  8. State-to-state kinetics and transport properties of electronically excited N and O atoms

    Science.gov (United States)

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

    2016-11-01

    A theoretical model of transport properties in electronically excited atomic gases in the state-to-state approach is developed. Different models for the collision diameters of atoms in excited states are discussed, and it is shown that the Slater-like models can be applied for the state-resolved transport coefficient calculations. The influence of collision diameters of N and O atoms with electronic degrees of freedom on the transport properties is evaluated. Different distributions on the electronic energy are considered for the calculation of transport coefficients. For the Boltzmann-like distributions at temperatures greater than 15000 K, an important effect of electronic excitation on the thermal conductivity and viscosity coefficients is found; the coefficients decrease significantly when many electronic states are taken into account. It is shown that under hypersonic reentry conditions the impact of collision diameters on the transport properties is not really important since the populations of high levels behind the shock waves are low.

  9. Itinerant ferromagnetism in actinide 5 f -electron systems: Phenomenological analysis with spin fluctuation theory

    Science.gov (United States)

    Tateiwa, Naoyuki; Pospíšil, Jiří; Haga, Yoshinori; Sakai, Hironori; Matsuda, Tatsuma D.; Yamamoto, Etsuji

    2017-07-01

    We have carried out an analysis of magnetic data in 69 uranium, 7 neptunium, and 4 plutonium ferromagnets with the spin fluctuation theory developed by Takahashi [Y. Takahashi, J. Phys. Soc. Jpn. 55, 3553 (1986), 10.1143/JPSJ.55.3553]. The basic and spin fluctuation parameters of the actinide ferromagnets are determined and the applicability of the spin fluctuation theory to actinide 5 f system has been discussed. Itinerant ferromagnets of the 3 d transition metals and their intermetallics follow a generalized Rhodes-Wohlfarth relation between peff/ps and TC/T0 , viz., peff/ps∝(TC/T0) -3 /2 . Here, ps, peff, TC, and T0 are the spontaneous and effective magnetic moments, the Curie temperature, and the width of spin fluctuation spectrum in energy space, respectively. The same relation is satisfied for TC/T0theory. The deviation from the theoretical relation may be due to several other effects not included in the spin fluctuation theory such as the crystalline electric field effect on the 5 f electrons from ligand atoms. The value of the spontaneous magnetic moment ps increases linearly as a function of TC/T0 in the uranium and neptunium ferromagnets below (TC/T0)kink=0.32 ±0.02 , where a kink structure appears in relation between the two quantities. ps increases more weakly above (TC/T0)kink. A possible interpretation with the TC/T0 dependence of ps is given.

  10. Derivative properties from high-precision equations of state.

    Science.gov (United States)

    Haghbakhsh, Reza; Konttorp, Morten; Raeissi, Sona; Peters, Cor J; O'Connell, John P

    2014-12-11

    In this study, the behavior of derivative properties estimated by equations of state, including isochoric heat capacity, isobaric heat capacity, speed of sound, and the Joule-Thomson coefficient for pure compounds and a mixture, has been investigated. The Schmidt-Wagner and Jacobsen-Stewart equations of state were used for predictions of derivative properties of 10 different pure compounds from various nonpolar hydrocarbons, nonpolar cyclic hydrocarbons, polar compounds, and refrigerants. The estimations were compared to experimental data. To evaluate the behavior of mixtures, the extended corresponding states principle (ECS) was studied. Analytical relationships were derived for isochoric heat capacity, isobaric heat capacity, the Joule-Thomson coefficient, and the speed of sound. The ECS calculations were compared to the reference surface data of methane + ethane. The ECS principle was found to generate data of high quality.

  11. The electronic properties of superatom states of hollow molecules.

    Science.gov (United States)

    Feng, Min; Zhao, Jin; Huang, Tian; Zhu, Xiaoyang; Petek, Hrvoje

    2011-05-17

    Electronic and optical properties of molecules and molecular solids are traditionally considered from the perspective of the frontier orbitals and their intermolecular interactions. How molecules condense into crystalline solids, however, is mainly attributed to the long-range polarization interaction. In this Account, we show that long-range polarization also introduces a distinctive set of diffuse molecular electronic states, which in quantum structures or solids can combine into nearly-free-electron (NFE) bands. These NFE properties, which are usually associated with good metals, are vividly evident in sp(2) hybridized carbon materials, specifically graphene and its derivatives. The polarization interaction is primarily manifested in the screening of an external charge at a solid/vacuum interface. It is responsible for the universal image potential and the associated unoccupied image potential (IP) states, which are observed even at the He liquid/vacuum interface. The molecular electronic properties that we describe are derived from the IP states of graphene, which float above and below the molecular plane and undergo free motion parallel to it. Rolling or wrapping a graphene sheet into a nanotube or a fullerene transforms the IP states into diffuse atom-like orbitals that are bound primarily to hollow molecular cores, rather than the component atoms. Therefore, we named them the superatom molecular orbitals (SAMOs). Like the excitonic states of semiconductor nanostructures or the plasmonic resonances of metallic nanoparticles, SAMOs of fullerene molecules, separated by their van der Waals distance, can combine to form diatomic molecule-like orbitals of C(60) dimers. For larger aggregates, they form NFE bands of superatomic quantum structures and solids. The overlap of the diffuse SAMO wavefunctions in van der Waals solids provides a different paradigm for band formation than the valence or conduction bands formed by interaction of the more tightly bound

  12. Long range properties of $1S$-bottomonium states

    CERN Document Server

    Brambilla, Nora; Castellà, Jaume Tarrús; Vairo, Antonio

    2015-01-01

    We derive an analytical expression for the chromo-polarizability of $1S$-bottomonium states using weakly-coupled pNRQCD. In this setting the intermediate octet states have Coulombic continuum wavefunctions. We use the QCD trace anomaly to obtain the two-pion production amplitude for the chromo-polarizability operator and match the result to a Chiral Effective Field Theory (EFT) with $1S$-bottomonium states and pions as degrees-of-freedom. In this chiral EFT we compute long range properties of the $1S$-bottomonium generated by the pion coupling such as the leading chiral log to the $1S$-bottomonium mass and the van der Waals potential between two $1S$-bottomonium states.

  13. 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.

  14. Properties of the false vacuum as the quantum unstable state

    CERN Document Server

    Urbanowski, K

    2016-01-01

    We analyze properties of unstable vacuum states from the point of view of the quantum theory. In the literature one can find some suggestions that some of false (unstable) vacuum states may survive up to times when their survival probability has a non-exponential form. At asymptotically late times the survival probability as a function of time $t$ has an inverse power--like form. We show that at this time region the energy of the false vacuum states tends to the energy of the true vacuum state as $1/t^{2}$ for $t \\to \\infty$. This means that the energy density in the unstable vacuum state should have analogous properties and hence the cosmological constant $\\Lambda = \\Lambda (t)$ too. The conclusion is that $\\Lambda$ in the Universe with the unstable vacuum should have a form of the sum of the "bare" cosmological constant and of the term of a type $1/t^{2}$: $\\Lambda(t) \\equiv \\Lambda_{bare} + d/ t^{2}$ (where $\\Lambda_{bare}$ is the cosmological constant for the Universe with the true vacuum).

  15. 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.

  16. Ground state properties of graphene in Hartree-Fock theory

    CERN Document Server

    Hainzl, Christian; Sparber, Christof

    2012-01-01

    We study the Hartree-Fock approximation of graphene in infinite volume, with instantaneous Coulomb interactions. First we construct its translation-invariant ground state and we recover the well-known fact that, due to the exchange term, the effective Fermi velocity is logarithmically divergent at zero momentum. In a second step we prove the existence of a ground state in the presence of local defects and we discuss some properties of the linear response to an external electric field. All our results are non perturbative.

  17. 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.

  18. Properties and Application of Intermediate Entangled State Representation

    Institute of Scientific and Technical Information of China (English)

    PANG Qian-Jun

    2005-01-01

    @@ We introduce the intermediate entangled state |α> and discuss its properties of|α>λ,ν. We obtain the expression of the two-mode Wigner operator in the |α>λ,ν representation. We find that the projection operator |α>λ,νλ,ν λ,ν representation, we successfully obtain the eigenvalues and eigenvectors of a bipartite system coupled in a quite complicated way.

  19. Superposition states for quantum nanoelectronic circuits and their nonclassical properties

    Science.gov (United States)

    Choi, Jeong Ryeol

    2016-09-01

    Quantum properties of a superposition state for a series RLC nanoelectronic circuit are investigated. Two displaced number states of the same amplitude but with opposite phases are considered as components of the superposition state. We have assumed that the capacitance of the system varies with time and a time-dependent power source is exerted on the system. The effects of displacement and a sinusoidal power source on the characteristics of the state are addressed in detail. Depending on the magnitude of the sinusoidal power source, the wave packets that propagate in charge(q)-space are more or less distorted. Provided that the displacement is sufficiently high, distinct interference structures appear in the plot of the time behavior of the probability density whenever the two components of the wave packet meet together. This is strong evidence for the advent of nonclassical properties in the system, that cannot be interpretable by the classical theory. Nonclassicality of a quantum system is not only a beneficial topic for academic interest in itself, but its results can be useful resources for quantum information and computation as well.

  20. Property Accounting for Local and State School Systems. State Educational Records and Reports Series--Handbook III.

    Science.gov (United States)

    Reason, Paul L.; Tankard, George G., Jr.

    This handbook serves as a basic guide to property accounting for local and state school systems in the U.S. Information and guidelines are presented regarding--(1) classification of property accounts, (2) definitions of property accounts, (3) measures of school property, (4) supplies and equipment, (5) individual property records, and (6) summary…

  1. Sensitivity improvements to the YbF electron electric dipole moment experiment

    Science.gov (United States)

    Rabey, Isabel; Devlin, Jack; Sauer, Ben; Hudson, Jony; Tarbutt, Mike; Hinds, Ed

    The electron is predicted to have a small electric dipole moment (EDM). The size of this fundamental property is intimately connected to the breaking of time reversal symmetry (T) in nature. The Standard Model, which does include a small amount of T asymmetry, predicts the EDM to be too small to ever detect at demachine since the last measurement. We have increased the statistical sensitivity of our interferometer by increasing the number of YbF molecules that participate in the experiment and by increasing their detection probability. We demonstrate several hardware developments that combine laser, microwave and rf fields which, when applied to YbF, can pump six times more population into the initial measurement state. In the detection region we have used techniques developed for molecular laser cooling, including resonant polarisation modulation, to dramatically increase the number of scattered photons by a factor of 10. Combining all improvements, the statistical uncertainty of our measurement is expected to be reduced by a factor of ninety, allowing us to search for physics beyond the Standard Model and below the recent upper limit of de<8.9x10-29 e.cm.

  2. Static and dynamic properties of QCD bound states

    Energy Technology Data Exchange (ETDEWEB)

    Kubrak, Stanislav

    2015-07-01

    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{sup PC}=1{sup --},2{sup ++},3{sup --} 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Arko, A.J.; Joyce, J.J.; Sarrao, J. [and others

    1998-12-01

    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. Coupled cluster calculation for ground state properties of closed-shell nuclei and single hole states.

    Science.gov (United States)

    Mihaila, Bogdan; Heisenberg, Jochen

    2000-04-01

    We continue the investigations of ground state properties of closed-shell nuclei using the Argonne v18 realistic NN potential, together with the Urbana IX three-nucleon interaction. The ground state wave function is used to calculate the charge form factor and charge density. Starting with the ground state wave function of the closed-shell nucleus, we use the equation of motion technique to calculate the ground state and excited states of a neighboring nucleus. We then generate the corresponding magnetic form factor. We correct for distortions due to the interaction between the electron probe and the nuclear Coulomb field using the DWBA picture. We compare our results with the available experimental data. Even though our presentation will focus mainly on the ^16O and ^15N nuclei, results for other nuclei in the p and s-d shell will also be presented.

  5. 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

  6. Ground state structures and properties of small hydrogenated silicon clusters

    Indian Academy of Sciences (India)

    R Prasad

    2003-01-01

    We present results for ground state structures and properties of small hydrogenated silicon clusters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two silicon atoms. We find that in the case of a compact and closed silicon cluster hydrogen bonds to the silicon cluster from outside. To understand the structural evolutions and properties of silicon cluster due to hydrogenation, we have studied the cohesive energy and first excited electronic level gap of clusters as a function of hydrogenation. We find that first excited electronic level gap of Si and SiH fluctuates as function of size and this may provide a first principle basis for the short-range potential fluctuations in hydrogenated amorphous silicon. The stability of hydrogenated silicon clusters is also discussed.

  7. Entanglement properties in a system of a pairwise entangled state

    Institute of Scientific and Technical Information of China (English)

    Liu Tang-Kun; Cheng Wei-Wen; Shan Chuan-Jia; Gao Yun-Feng; Wang Ji-Suo

    2007-01-01

    Based on the quantum information theory, this paper has investigated the entanglement properties of a system which is composed of the two entangled two-level atoms interacting with the two-mode entangled coherent fields. The influences of the strength of light field and the two parameters of entanglement between the two-mode fields on the field entropy and on the negative eigenvalues of partial transposition of density matrix are discussed by using numerical calculations. The result shows that the entanglement properties in a system of a pairwise entangled states can be controlled by appropriately choosing the two parameters of entanglement between the two-mode entangled coherent fields and the strength of two light fields respectively.

  8. Entanglement Witnesses and Characterizing Entanglement Properties of Some PPT States

    CERN Document Server

    Jafarizadeh, M A; Akbari, Y

    2010-01-01

    On the basis of linear programming, new sets of entanglement witnesses (EWs) for 3x3 and 4x4 systems are constructed. In both cases, the constructed EWs correspond to the hyperplanes contacting, without intersecting, the related feasible regions at line segments and restricted planes respectively. Due to the special property of the contacting area between the hyper-planes and the feasible regions, the corresponding hyper-planes can be turned around the contacting area throughout a bounded interval and hence create an infinite number of EWs. As these EWs are able to detect entanglement of some PPT states, they are non-decomposable (nd-EWs).

  9. Gutzwiller wave-function solution for Anderson lattice model: Emerging universal regimes of heavy quasiparticle states

    Science.gov (United States)

    Wysokiński, Marcin M.; Kaczmarczyk, Jan; Spałek, Jozef

    2015-09-01

    The recently proposed diagrammatic expansion (DE) technique for the full Gutzwiller wave function (GWF) is applied to the Anderson lattice model. This approach allows for a systematic evaluation of the expectation values with full Gutzwiller wave function in finite-dimensional systems. It introduces results extending in an essential manner those obtained by means of the standard Gutzwiller approximation (GA), which is variationally exact only in infinite dimensions. Within the DE-GWF approach we discuss the principal paramagnetic properties and their relevance to heavy-fermion systems. We demonstrate the formation of an effective, narrow f band originating from atomic f -electron states and subsequently interpret this behavior as a direct itineracy of f electrons; it represents a combined effect of both the hybridization and the correlations induced by the Coulomb repulsive interaction. Such a feature is absent on the level of GA, which is equivalent to the zeroth order of our expansion. Formation of the hybridization- and electron-concentration-dependent narrow f band rationalizes the common assumption of such dispersion of f levels in the phenomenological modeling of the band structure of CeCoIn5. Moreover, it is shown that the emerging f -electron direct itineracy leads in a natural manner to three physically distinct regimes within a single model that are frequently discussed for 4 f - or 5 f -electron compounds as separate model situations. We identify these regimes as (i) the mixed-valence regime, (ii) Kondo/almost-Kondo insulating regime, and (iii) the Kondo-lattice limit when the f -electron occupancy is very close to the f -state half filling, →1 . The nonstandard features of the emerging correlated quantum liquid state are stressed.

  10. 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).

  11. Superconducting and normal-state properties of novel materials

    Energy Technology Data Exchange (ETDEWEB)

    Crespi, Vincent Henry [Univ. of California, Berkeley, CA (United States)

    1994-09-01

    Interest in solid state physics naturally gravitates towards novel systems such as the copper oxide superconductors or the alkali-doped fullerenes. This paper tackles high temperature superconductivity by extension of the BCS theory for ordinary superconductors, in particular, incorporation of anharmonicity in phonon dynamics and anisotropy in electron-phonon coupling. These refinements can account for many anomalous properties of the cuprates. Phonon anharmonicity is consistent with a small isotope effect at optimal doping and a larger isotope effect in suboptimal systems. Anisotropy in the interaction, a plausible consequence of certain anharmonic models, can circumvent objections to electron-phonon coupling based on transport measurements. Such anisotropy is consistent with gap anisotropy and strong temperature dependence of Hall coefficient. In contrast to cuprates, the doped fullerenes appear understandable within the standard model of single electron band theory and BCS theory. Microscopic parameters derivable from transport and critical field measurements yield a self-consistent picture of a disordered Type-2 BCS superconductor. Isotope effects imply that superconductivity is mediated by carbon phonons opposed to alkali atom vibrations. The novel properties of the fullerenes are generally traceable to their microscopic heterogeneity, being a collection of tightly bound but weakly overlapping molecules. Separation of electronic regimes into weak intermolecular overlap and strong carbon-carbon on-ball bonds yields a superconductor with both a large density of states and a high phonon frequency, properties consistent with a relatively high {Tc}. Disordered nature of intermolecular overlap produces a large residual resistivity and a universal dependence to the Hall coefficient. This disorder is also consistent with the anomalously large carbon isotope effect for heterogeneous isotopic substitution.

  12. The crucial role of the f electrons in the bent or linear configuration of uranium cyanido metallocenes

    Energy Technology Data Exchange (ETDEWEB)

    Maynadie, J.; Berthet, J.C.; Thuery, P.; Ephritikhine, M. [Service de Chimie Moleculaire, DSM, DRECAM, CNRS URA 331, CEA/Saclay 91191 Gif sur Yvette cedex (France); Maron, L. [Laboratoire de Nanophysique Magnetisme et Optoelectronique, INSA Universite Paul Sabatier, 135 avenue de Rangueil, 31077 Toulouse cedex (France); Barros, N. [Service de Chimie des Procedes de Separation, DEN, DRCP, CEA Valrho BP 17171, 30207 Bagnols sur Ceze (France)

    2007-03-04

    Here is reported on the U{sup III}-U{sup V} complexes [Cp{sup *}{sub 2}U(CN){sub 3}][NR{sub 4}]{sub n} (n=1,2) and [Cp{sup *}{sub 2}U(CN){sub 5}][NR{sub 4}]{sub n} (n=2,3), which adopt a bent and linear configuration, respectively. These results raise the fundamental question of the nature of the metal-ligand interaction and the influence of the number of f electrons on the geometry of the complexes. The crucial role of the f orbitals is evidenced by density functional theory (DFT) analysis. (O.M.)

  13. 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.

  14. Structural properties of effective potential model by liquid state theories

    Institute of Scientific and Technical Information of China (English)

    Xiang Yuan-Tao; Andrej Jamnik; Yang Kai-Wei

    2010-01-01

    This paper investigates the structural properties of a model fluid dictated by an effective inter-particle oscillatory potential by grand canonical ensemble Monte Carlo (GCEMC) simulation and classical liquid state theories. The chosen oscillatory potential incorporates basic interaction terms used in modeling of various complex fluids which is composed of mesoscopic particles dispersed in a solvent bath, the studied structural properties include radial distribution function in bulk and inhomogeneous density distribution profile due to influence of several external fields. The GCEMC results are employed to test the validity of two recently proposed theoretical approaches in the field of atomic fluids. One is an Ornstein-Zernike integral equation theory approach; the other is a third order + second order perturbation density functional theory. Satisfactory agreement between the GCEMC simulation and the pure theories fully indicates the ready adaptability of the atomic fluid theories to effective model potentials in complex fluids, and classifies the proposed theoretical approaches as convenient tools for the investigation of complex fluids under the single component macro-fluid approximation.

  15. Colour-rendition properties of solid-state lamps

    Science.gov (United States)

    Žukauskas, A.; Vaicekauskas, R.; Shur, M. S.

    2010-09-01

    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

  16. Transport properties of the filled skutterudite PrxFe4Sb12 synthesized under high pressure

    Science.gov (United States)

    Tanaka, Kenya; Kikuchi, Daisuke; Kawahito, Yusuke; Ueda, Makoto; Aoki, Hidekazu; Kuwahara, Keitaro; Sugawara, Hitoshi; Aoki, Yuji; Sato, Hideyuki

    2008-04-01

    We have investigated the thermoelectric power ( S), Hall coefficient ( RH), and magnetoresistance (MR) of PrxFe4Sb12 ( x∼1) synthesized under high pressure. The dependence of S and RH on the Pr-site filling fraction x become apparent at low temperatures. In MR, we confirmed that the electrical resistivity is enhanced by the 4f-electron crystalline electric field effect below ∼10 K and suppressed by the 3d-electron spin fluctuation effect above ∼10 K. The change of magnetic state in PrxFe4Sb12 with x, realized as a combined effect of 4f-electrons and the high electronic density of state at Fermi level, is well reflected in the transport properties.

  17. 41 CFR 102-38.340 - How may we sell personal property to State and local governments?

    Science.gov (United States)

    2010-07-01

    ... property to State and local governments? 102-38.340 Section 102-38.340 Public Contracts and Property... PROPERTY 38-SALE OF PERSONAL PROPERTY Provisions for State and Local Governments § 102-38.340 How may we sell personal property to State and local governments? You may sell Government personal property...

  18. Ground-state properties of neutron-rich Mg isotopes

    CERN Document Server

    Watanabe, Shin; Shimada, Mitsuhiro; Tagami, Shingo; Kimura, Masaaki; Takechi, Maya; Fukuda, Mitsunori; Nishimura, Daiki; Suzuki, Takeshi; Matsumoto, Takuma; Shimizu, Yoshifumi R; Yahiro, Masanobu

    2014-01-01

    We analyze recently-measured total reaction cross sections for 24-38Mg isotopes incident on 12C targets at 240 MeV/nucleon by using the folding model and antisymmetrized molecular dynamics(AMD). The folding model well reproduces the measured reaction cross sections, when the projectile densities are evaluated by the deformed Woods-Saxon (def-WS) model with AMD deformation. Matter radii of 24-38Mg are then deduced from the measured reaction cross sections by ?ne-tuning the parameters of the def-WS model. The deduced matter radii are largely enhanced by nuclear deformation. Fully-microscopic AMD calculations with no free parameter well reproduce the deduced matter radii for 24-36Mg, but still considerably underestimate them for 37,38Mg. The large matter radii suggest that 37,38Mg are candidates for deformed halo nucleus. AMD also reproduces other existing measured ground-state properties (spin-parity, total binding energy, and one-neutron separation energy) of Mg isotopes. Neutron-number (N) dependence of defor...

  19. Chromophore Deprotonation State Alters the Optical Properties of Blue Chromoprotein.

    Directory of Open Access Journals (Sweden)

    Cheng-Yi Chiang

    Full Text Available Chromoproteins (CPs have unique colors and can be used in biological applications. In this work, a novel blue CP with a maximum absorption peak (λmax at 608 nm was identified from the carpet anemone Stichodactyla gigantea (sgBP. In vivo expression of sgBP in zebrafish would change the appearance of the fishes to have a blue color, indicating the potential biomarker function. To enhance the color properties, the crystal structure of sgBP at 2.25 Å resolution was determined to allow structure-based protein engineering. Among the mutations conducted in the Gln-Tyr-Gly chromophore and chromophore environment, a S157C mutation shifted the λmax to 604 nm with an extinction coefficient (ε of 58,029 M-1·cm-1 and darkened the blue color expression. The S157C mutation in the sgBP chromophore environment could affect the color expression by altering the deprotonation state of the phenolic group in the chromophore. Our results provide a structural basis for the blue color enhancement of the biomarker development.

  20. Anisotropy of normal state and superconducting properties of oxypnictides

    Energy Technology Data Exchange (ETDEWEB)

    Haindl, Silvia; Kidszun, Martin; Kauffmann, Alexander; Kozlova, Nadja; Iida, Kazumasa; Vakaliuk, Oleksii; Panarina, Nadezda; Hess, Christian; Buechner, Bernd [IFW Dresden (Germany); Thersleff, Thomas [IFW Dresden (Germany); The Angstroem Laboratory, Department of Engineering Sciences, Division of Applied Materials Science, Uppsala University (Sweden); Kawaguchi, Takahiko; Ikuta, Hiroshi [Department of Crystalline Materials Science, Nagoya University (Japan); Kampert, Erik; Wosnitza, Joachim [Hochfeld-Magnetlabor Dresden (HLD), Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany)

    2013-07-01

    The very large upper critical fields of the oxypnictides complicate the experimental determination of their anisotropy, γ{sub Hc2}, especially at low temperatures. We have applied the anisotropic Ginzburg-Landau scaling on angular-dependent critical-current densities measured for an epitaxially grown La(O{sub 1-x}F{sub x})FeAs thin film. The obtained scaling parameter matches γ{sub H{sub c{sub 2}}} as can be demonstrated by recent magnetotransport measurements in pulsed magnetic fields up to 70 T and down to 2 K. Using the method of critical current scaling H{sub c2}{sup ab} for Nd(O{sub 1-x}F{sub x})FeAs is extrapolated. In addition we discuss normal state electrical transport properties of La(O{sub 1-x}F{sub x})FeAs and Nd(O{sub 1-x}F{sub x})FeAs thin films.

  1. First-principles study of energetic and electronic properties of A2Ti2O7 (A=Sm, Gd, Er) pyrochlore

    Science.gov (United States)

    Xiao, H. Y.; Zu, X. T.; Gao, Fei; Weber, W. J.

    2008-10-01

    First-principles calculations have been carried out to study the electronic properties of A2Ti2O7 (A =Sm, Gd, Er) pyrochlores. It was found that f electrons have negligible effect on the structural and energetic properties, but have significant effect on the electronic properties. Density of state analysis shows that A-site 4f electrons do take part in the chemical bonding. Also, we found that ⟨Gd-O48f⟩ bond is less covalent than ⟨Sm-O48f⟩ and ⟨Er-O48f⟩ bonds, while ⟨Ti-O48f⟩ bond in Gd2Ti2O7 is more covalent. It was proposed that for A2Ti2O7 (A =Sm, Gd, Er) pyrochlores, ⟨Ti-O48f⟩ bonds may play more significant role in determining their radiation resistance to amorphization.

  2. First-principles study of energetic and electronic properties of A2Ti2O7 (A=Sm, Gd, Er) pyrochlore

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, H. Y.; Zu, Xiaotao T.; Gao, Fei; Weber, William J.

    2008-10-01

    First-principles calculations have been carried out to study the electronic properties of A2Ti2O7 (A=Sm, Gd, Er) pyrochlores. It was found that f electrons have negligible effect on the structural and energetic properties, but have significant effect on the electronic properties. Density of state analysis shows that A-site 4f electrons do take part in the chemical bonding. Also, we found that bond is less covalent than and bonds, while bond in Gd2Ti2O7 is more covalent. It was proposed that for A2Ti2O7 (A = Sm, Gd, Er) pyrochlores, bonds may play more significant role in determining their radiation resistance to amorphization.

  3. Tricritical point of the f -electron antiferromagnet US b2 driven by high magnetic fields

    Science.gov (United States)

    Stillwell, R. L.; Liu, I.-L.; Harrison, N.; Jaime, M.; Jeffries, J. R.; Butch, N. P.

    2017-01-01

    In pulsed magnetic fields up to 65 T and at temperatures below the Néel transition, our magnetization and magnetostriction measurements reveal a field-induced metamagneticlike transition that is suggestive of an antiferromagnetic to ferrimagnetic ordering. Our data also suggest a change in the nature of this metamagneticlike transition from second- to first-order-like near a tricritical point at Ttc˜145 K and Hc˜52 T . At high fields for H >Hc we found a decreased magnetic moment roughly half of the moment determined by neutron powder diffraction. We propose that the decreased moment and lack of saturation at high fields indicate the presence of a field-induced ferrimagnetic state above the tricritical point of the H-T phase diagram for US b2 .

  4. 26 CFR 1.897-2 - United States real property holding corporations.

    Science.gov (United States)

    2010-04-01

    ... 26 Internal Revenue 9 2010-04-01 2010-04-01 false United States real property holding corporations... property holding corporations. (a) Purpose and scope. This section provides rules regarding the definition and consequences of U.S. real property holding corporation status. U.S. real property...

  5. Study of the Ne(^3P_2) + CH_3F Electron Transfer Reaction below 1 Kelvin

    CERN Document Server

    Jankunas, Justin; Osterwalder, Andreas

    2014-01-01

    Relatively little is known about the dynamics of electron transfer reactions at low collision energy. We present a study of Penning ionization of ground state methyl fluoride molecules by electronically excited neon atoms in the 13 $\\mu$eV--4.8 meV (150 mK--56 K) collision energy range, using a neutral-neutral merged beam setup. Relative cross sections have been measured for three Ne($^3P_2$)+ CH$_3$F reaction channels by counting the number of CH$_3$F$^+$, CH$_2$F$^+$, and CH$_3^+$ product ions, as a function of relative velocity between the neon and methyl fluoride molecular beams. Experimental cross sections markedly deviate from the Langevin capture model at collision energies above 20 K. The branching ratios are constant. In other words, the chemical shape of the CH$_3$F molecule, as seen by Ne($^3P_2$) atom, appears not to change as the collision energy is varied, in contrast to related Ne($^3P_J$) + CH$_3$X (X=Cl and Br) reactions at higher collision energies.

  6. Ground-state Properties of Inhomogeneous Graphene Sheets

    Science.gov (United States)

    Polini, Marco

    2009-03-01

    When inter-valley scattering is weak and gauge fields due to e.g. ripples are neglected, doped and gated graphene sheets can be described using an envelope-function Hamiltonian with a new sublattice pseudospin degree-of freedom, an ultrarelativistic massless-Dirac free-fermion term, a pseudospin scalar disorder potential, and a non-relativistic instantaneous Coulombic interaction term. There is considerable evidence from experiment that this simplified description of a honeycomb lattice of Carbon atoms is usually a valid starting point for theories of those observables that depend solely on the electronic properties of π-electrons near the graphene Dirac point [1]. Although the use of this model simplifies the physics considerably it still leaves us with a many-body problem without translational invariance, which we do not know how to solve. In this talk we present a Kohn-Sham-Dirac density-functional-theory (DFT) scheme for graphene sheets that treats slowly-varying inhomogeneous scalar external potentials and electron-electron interactions on an equal footing [2]. The theory is able to account for the unusual property that the exchange-correlation contribution to chemical potential increases with carrier density in graphene [3,4]. Consequences of this property, and advantages and disadvantages of using the DFT approach to describe it, are discussed. The approach is illustrated by solving the Kohn-Sham-Dirac equations self-consistently for a model random potential describing charged point-like impurities located close to the graphene plane. The influence of electron-electron interactions on these non-linear screening calculations is discussed at length, in the light of recent experiments [5,6] reporting evidence for the presence of electron-hole puddles in nearly-neutral graphene sheets. [4pt] [1] A.K. Geim and K.S. Novoselov, Nature Mater. 6, 183 (2007); A.K. Geim and A.H. MacDonald, Phys. Today 60, 35 (2007); A.H. Castro Neto, F. Guinea, N.M.R. Peres, K

  7. Magnetic susceptibility measurements of {sigma} plutonium alloys. Contribution to the study of the 5f electrons localization in the plutonium; Mesure de la susceptibilite magnetique d`alliages de plutonium en phase delta. Contribution a l`etude de la localisation des electrons 5f dans le plutonium

    Energy Technology Data Exchange (ETDEWEB)

    Meot-Reymond, S

    1996-12-31

    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 {delta}-phase than in the {alpha}-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 {delta}-Pu phase. (author) 63 refs.

  8. Chemical properties of the heavier actinides and transactinides

    Energy Technology Data Exchange (ETDEWEB)

    Hulet, E.K.

    1981-01-01

    The chemical properties of each of the elements 99 (Es) through 105 are reviewed and their properties correlated with the electronic structure expected for 5f and 6d elements. A major feature of the heavier actinides, which differentiates them from the comparable lanthanides, is the increasing stability of the divalent oxidation state with increasing atomic number. The divalent oxidation state first becomes observable in the anhydrous halides of californium and increases in stability through the series to nobelium, where this valency becomes predominant in aqueous solution. In comparison with the analogous 4f electrons, the 5f electrons in the latter part of the series are more tightly bound. Thus, there is a lowering of the 5f energy levels with respect to the Fermi level as the atomic number increases. The metallic state of the heavier actinides has not been investigated except from the viewpoint of the relative volatility among members of the series. In aqueous solutions, ions of these elements behave as a normal trivalent actinides and lanthanides (except for nobelium). Their ionic radii decrease with increasing nuclear charge which is moderated because of increased screening of the outer 6p electrons by the 5f electrons. The actinide series of elements is completed with the element lawrencium (Lr) in which the electronic configuration is 5f/sup 14/7s/sup 2/7p. From Mendeleev's periodicity and Dirac-Fock calculations, the next group of elements is expected to be a d-transition series corresponding to the elements Hf through Hg. The chemical properties of elements 104 and 105 only have been studied and they indeed appear to show the properties expected of eka-Hf and eka-Ta. However, their nuclear lifetimes are so short and so few atoms can be produced that a rich variety of chemical information is probably unobtainable.

  9. Pressure-induced f -electron delocalization in the U-based strongly correlated compounds UPd3 and UPd2Al3 : Resonant inelastic x-ray scattering and first-principles calculations

    Science.gov (United States)

    Rueff, J.-P.; Raymond, S.; Yaresko, A.; Braithwaite, D.; Leininger, Ph.; Vankó, G.; Huxley, A.; Rebizant, J.; Sato, N.

    2007-08-01

    We have measured the uranium L3 absorption and resonant emission spectra in the localized magnetic compound UPd3 and heavy fermion UPd2Al3 as a function of pressure. The spectral line shape of the absorption edge is found to vary rapidly in UPd2Al3 with a notable broadening of the white line above the structural transition around 25GPa while it shows a more gradual variation in UPd3 over the considered pressure range (0 40GPa) , indicating different responses of the f-d electrons to the compressed lattice in the two compounds. The U L3 absorption spectra in both UPd3 and UPd2Al3 and their pressure dependence were further simulated via first-principles band calculations within the linear muffin-tin orbital approach. The calculations reproduce the main features of the experimental absorption edges. The calculated pressure dependence of the f charge reveals a stronger localization of the f electrons in UPd3 which shows a remarkably stable valency under pressure, close the nominal value of 4. On the contrary, our results point to a mixed valent U4-δ ground state in UPd2Al3 at ambient conditions, evolving into a U4+ (or possibly U4+δ ) configuration at high pressure. The f -electron delocalization could be responsible for the known structural transition in UPd2Al3 .

  10. Properties of the Measurement Phase Operator in Dual-Mode Entangle Coherent States

    Institute of Scientific and Technical Information of China (English)

    HOU Shen-Yong; YANG Kuo

    2011-01-01

    @@ A class of measurement phase operators of dual-mode is defined and their properties in a class of entangle coherent states are investigated.Numerical results indicate that the entangle coherent states display some non-classical squeezed effects.%A class of measurement phase operators of dual-mode is defined and their properties in a class of entangle coherent states are investigated. Numerical results indicate that the entangle coherent states display some non-classical squeezed effects.

  11. Atomic states and properties of Pt-electrocatalyst

    Institute of Scientific and Technical Information of China (English)

    PENG; Hongjian

    2006-01-01

    Using the one-atom theory (OA), the atomic state of Pt-electrocatalyst with fcc structure was determined as follows: [Xe] (5dn)6.48 (5dc)2.02 (6Sc)1.48(6sf)0.02. The atomic states of this metal with hcp and bcc structures of primary characteristic crystals and liquid state was also studied. According to its atomic states, the relationship between the atomic states and crystalline structure, catalytic performance and conductivity was explained qualitatively. The potential curve, the temperature dependence of bulk modulus and linear thermal expansion coefficient of fcc-Pt were calculated quantitatively.

  12. Intellectual Property Rights and Responsibilities: The State and the Text.

    Science.gov (United States)

    Willinsky, John

    1990-01-01

    Draws from literary and theoretical works to discuss the idea of written text as intellectual property. Examines the legal, economic, and moral issues surrounding books and writing. Reviews concepts of liability, imitation, plagiarism, property rights, and, in particular, the historical and contemporary responsibilities incurred in writing. (DMM)

  13. 31 CFR 515.527 - Certain transactions with respect to United States intellectual property.

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 3 2010-07-01 2010-07-01 false Certain transactions with respect to United States intellectual property. 515.527 Section 515.527 Money and Finance: Treasury Regulations... Certain transactions with respect to United States intellectual property. (a)(1) Transactions related...

  14. Nonclassical properties and quantum resources of hierarchical photonic superposition states

    Energy Technology Data Exchange (ETDEWEB)

    Volkoff, T. J., E-mail: adidasty@gmail.com [University of California, Department of Chemistry (United States)

    2015-11-15

    We motivate and introduce a class of “hierarchical” quantum superposition states of N coupled quantum oscillators. Unlike other well-known multimode photonic Schrödinger-cat states such as entangled coherent states, the hierarchical superposition states are characterized as two-branch superpositions of tensor products of single-mode Schrödinger-cat states. In addition to analyzing the photon statistics and quasiprobability distributions of prominent examples of these nonclassical states, we consider their usefulness for highprecision quantum metrology of nonlinear optical Hamiltonians and quantify their mode entanglement. We propose two methods for generating hierarchical superpositions in N = 2 coupled microwave cavities, exploiting currently existing quantum optical technology for generating entanglement between spatially separated electromagnetic field modes.

  15. DFT calculations of quadrupolar solid-state NMR properties: Some examples in solid-state inorganic chemistry.

    Science.gov (United States)

    Cuny, Jerome; Messaoudi, Sabri; Alonzo, Veronique; Furet, Eric; Halet, Jean-François; Le Fur, Eric; Ashbrook, Sharon E; Pickard, Chris J; Gautier, Regis; Le Polles, Laurent

    2008-10-01

    This article presents results of first-principles calculations of quadrupolar parameters measured by solid-state nuclear magnetic measurement (NMR) spectroscopy. Different computational methods based on density functional theory were used to calculate the quadrupolar parameters. Through a series of illustrations from different areas of solid state inorganic chemistry, it is shown how quadrupolar solid-state NMR properties can be tackled by a theoretical approach and can yield structural information.

  16. Compact All Solid State Oceanic Inherent Optical Property Sensor Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This work concerns the development of a prototype of a Volume Scattering Function (VSF) sensor for measurement of this inherent optical property(IOP) of seawater....

  17. chemical properties of soil in rivers state, nigeria *ch

    African Journals Online (AJOL)

    Osondu

    chemical properties and the spatial extent ... the core and decreased with increasing distance from the core. ... Key words: Charcoal, Soil, Change index, Niger Delta, Nigeria ..... practices. References. Agbenin, J.O. (1995), Laboratory manual for Soil.

  18. Compact All Solid State Oceanic Inherent Optical Property Sensor Project

    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. Corresponding-states principle and its practice thermodynamic, transport and surface properties of fluids

    CERN Document Server

    Xiang, Hong Wei

    2005-01-01

    The corresponding-states principle helps the understanding and calculating of thermodynamic, transport, and surface properties of substances in various states, required by our modern lifestyle. The Corresponding-States Principle and its Practice: Thermodynamic, Transport and Surface Properties of Fluids describes the origins and applications of the principle from a universal point of view with comparisons to experimental data where possible. It uses the universal theory to explain present theories. Emphasis is on the properties of pure systems, and the corresponding-states theory can also be e

  20. Adsorption of 5f-electron atoms (ThCm) on graphene surface: An all-electron ZORA-DFT study.

    Science.gov (United States)

    Du, Jiguang; Jiang, Gang

    2017-12-15

    All-electron calculations were performed to investigate the adsorption of 5f-electron atoms (An=ThCm) on graphene surface. The hollow site is energetically preferred for the An-graphene complexes studied. The interaction strengths between An and C decrease in the order of Th>Pa>U>Np>Pu>Cm>Am. The AnC interactions show predominately closed-shell characteristics, meanwhile ThC chemical bond formed through orbital overlaps of Th (6d) and C (2p) possesses partial covalent nature. The participation of 6d(5f)-electron into bonding orbitals are gradually weakened (enhanced) from Th to Pu because the 5f electrons are more and more diffuse. The physisorption nature of Am on graphene was observed by the weak orbital overlaps between Am (6d) and C(2p) and the half-fill 5f occupancy. The magnetic moments of An-graphene species are mainly derived from the 5f-electron due to its high delocalization. The molecular orbital (MO) and charge decomposition analysis (CDA) indicate that the 6d orbitals of An atoms play a more important role in participation of bonds relative to the 5f orbital, as well as the strong linear correlation between 6d occupancy numbers and adsorption energy highlights the significant role of 6d-electron of An in the interaction. Copyright © 2017 Elsevier Inc. All rights reserved.

  1. Atomic states and properties of Ru-electrocatalyst

    Institute of Scientific and Technical Information of China (English)

    PENG Hong-jian; XIE You-qing; WEI De-liang

    2006-01-01

    Using the one-atom theory(OA), the atomic states of Ru-electrocatalyst with hcp structure was determined as [Kr](4dn)3.78(4dc)2.22(5sc)1.77(5sf)0.23. The potential curve, elasticity and the temperature dependence of linear thermal expansion coefficient and bulk modulus of hcp-Ru were calculated quantitatively. The atomic states of this metal with fcc and bcc structure and liquid state were also studied. According to its atomic states, the relationship between the atomic states and catalytic performance was explained qualitatively and these supplied Ru-metal and electrocatalyst with complete data for optimum designation in accordance with metal material systematic sicence.

  2. Transport properties of the filled skutterudite Pr{sub x}Fe{sub 4}Sb{sub 12} synthesized under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Kenya [Department of Physics, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 (Japan)], E-mail: tanaka-kenya@ed.tmu.ac.jp; Kikuchi, Daisuke; Kawahito, Yusuke; Ueda, Makoto; Aoki, Hidekazu; Kuwahara, Keitaro [Department of Physics, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 (Japan); Sugawara, Hitoshi [Faculty of Integrated Arts and Science, The University of Tokushima, Tokushima 770-8502 (Japan); Aoki, Yuji; Sato, Hideyuki [Department of Physics, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 (Japan)

    2008-04-01

    We have investigated the thermoelectric power (S), Hall coefficient (R{sub H}), and magnetoresistance (MR) of Pr{sub x}Fe{sub 4}Sb{sub 12} (x{approx}1) synthesized under high pressure. The dependence of S and R{sub H} on the Pr-site filling fraction x become apparent at low temperatures. In MR, we confirmed that the electrical resistivity is enhanced by the 4f-electron crystalline electric field effect below {approx}10K and suppressed by the 3d-electron spin fluctuation effect above {approx}10K. The change of magnetic state in Pr{sub x}Fe{sub 4}Sb{sub 12} with x, realized as a combined effect of 4f-electrons and the high electronic density of state at Fermi level, is well reflected in the transport properties.

  3. Distinct properties of the triplet pair state from singlet fission.

    Science.gov (United States)

    Trinh, M Tuan; Pinkard, Andrew; Pun, Andrew B; Sanders, Samuel N; Kumarasamy, Elango; Sfeir, Matthew Y; Campos, Luis M; Roy, Xavier; Zhu, X-Y

    2017-07-01

    Singlet fission, the conversion of a singlet exciton (S1) to two triplets (2 × T1), may increase the solar energy conversion efficiency beyond the Shockley-Queisser limit. This process is believed to involve the correlated triplet pair state (1)(TT). Despite extensive research, the nature of the (1)(TT) state and its spectroscopic signature remain actively debated. We use an end-connected pentacene dimer (BP0) as a model system and show evidence for a tightly bound (1)(TT) state. It is characterized in the near-infrared (IR) region (~1.0 eV) by a distinct excited-state absorption (ESA) spectral feature, which closely resembles that of the S1 state; both show vibronic progressions of the aromatic ring breathing mode. We assign these near-IR spectra to (1)(TT)→Sn and S1→Sn' transitions; Sn and Sn' likely come from the antisymmetric and symmetric linear combinations, respectively, of the S2 state localized on each pentacene unit in the dimer molecule. The (1)(TT)→Sn transition is an indicator of the intertriplet electronic coupling strength, because inserting a phenylene spacer or twisting the dihedral angle between the two pentacene chromophores decreases the intertriplet electronic coupling and diminishes this ESA peak. In addition to spectroscopic signature, the tightly bound (1)(TT) state also shows chemical reactivity that is distinctively different from that of an individual T1 state. Using an electron-accepting iron oxide molecular cluster [Fe8O4] linked to the pentacene or pentacene dimer (BP0), we show that electron transfer to the cluster occurs efficiently from an individual T1 in pentacene but not from the tightly bound (1)(TT) state. Thus, reducing intertriplet electronic coupling in (1)(TT) via molecular design might be necessary for the efficient harvesting of triplets from intramolecular singlet fission.

  4. 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 are ...

  5. EWnFM: An Environment States Oriented Web Service Non-Functional Property Model

    Directory of Open Access Journals (Sweden)

    Yin Zhang

    2015-01-01

    Full Text Available A proper model of Web service non-functional properties is the key foundation to the evaluation of non-functional properties of Adaptive Service Based Software (ASBS systems. As the environment in which a Web service is deployed may keep changing, environmental factors would affect the non-functional properties of a Web service a lot. However, available non-functional property models usually ignore the impact of environmental factors, leading to insufficient modeling power of non-functional properties, limited effect of system wide non-functional property evaluation based on these models, and the inability to support environment states oriented specifications of ASBS. This paper propose an environment states oriented Web service non-functional property model. By considering the differences of a non-functional property under different environment states, environment states of a Web service is analyzed using a Dirichlet process based method. With such a foundation, an environment states oriented Web service non-functional property model is introduced, together with the parameter estimation methods based on historical monitor data. Experiment results have shown that compared to the evaluated methods, our model could generate data that are much close to real monitored data.

  6. Echo state property linked to an input: exploring a fundamental characteristic of recurrent neural networks.

    Science.gov (United States)

    Manjunath, G; Jaeger, H

    2013-03-01

    The echo state property is a key for the design and training of recurrent neural networks within the paradigm of reservoir computing. In intuitive terms, this is a passivity condition: a network having this property, when driven by an input signal, will become entrained by the input and develop an internal response signal. This excited internal dynamics can be seen as a high-dimensional, nonlinear, unique transform of the input with a rich memory content. This view has implications for understanding neural dynamics beyond the field of reservoir computing. Available definitions and theorems concerning the echo state property, however, are of little practical use because they do not relate the network response to temporal or statistical properties of the driving input. Here we present a new definition of the echo state property that directly connects it to such properties. We derive a fundamental 0-1 law: if the input comes from an ergodic source, the network response has the echo state property with probability one or zero, independent of the given network. Furthermore, we give a sufficient condition for the echo state property that connects statistical characteristics of the input to algebraic properties of the network connection matrix. The mathematical methods that we employ are freshly imported from the young field of nonautonomous dynamical systems theory. Since these methods are not yet well known in neural computation research, we introduce them in some detail. As a side story, we hope to demonstrate the eminent usefulness of these methods.

  7. 41 CFR 102-38.185 - May we sell Federal personal property to State or local governments?

    Science.gov (United States)

    2010-07-01

    ... personal property to State or local governments? 102-38.185 Section 102-38.185 Public Contracts and... Federal personal property to State or local governments? Yes, you may sell Federal personal property to State or local governments. Additional guidelines on sales to State or local governments are...

  8. Statistical Properties and Algebraic Characteristics of Quantum Superpositions of Negative Binomial States

    Institute of Scientific and Technical Information of China (English)

    WANG XiaoGuang; FU Hong-Chen

    2001-01-01

    We introduce new kinds of states of quantized radiation fields, which are the superpositions of negative binomial states. They exhibit remarkable nonclassical properties and reduce to Schrodinger cat states in a certain limit.The algebras involved in the even and odd negative binomial states turn out to be generally deformed oscillator algebras.It is found that the even and odd negative binomial states satisfy the same eigenvalue equation with the same eigenvalue and they can be viewed as two-photon nonlinear coherent states. Two methods of generating such the states are proposed.``

  9. Possible FERMI liquid behavior of 5f electrons in UPt sub 3 at T. much gt. T sub K

    Energy Technology Data Exchange (ETDEWEB)

    Arko, A.J.; Armstrong, P.; Wire, M. (Los Alamos National Lab., NM (USA); TRW Space Technology Labs., Redondo Beach, CA (USA))

    1989-01-01

    The energy of localized electrons should be independent of crystal momentum. Thus the energy of 5f electrons in heavy Fermion systems far above T{sub K} is expected to show no E vs. k dispersion. We have used angle-resolved photoemission spectroscopy on the (1010) surface of UP{sub t3}, cleaned by repeated sputter and anneal, to study any possible dispersion of the 5f bands at T = 300 K{much gt}T{sub K} {approx}50 K. The measurements were performed at the Synchrotron Radiation Center in Stoughton, WI, at a photon energy hv = 40 eV. At this energy the 5f cross-section is already sufficiently large to yield a significant 5f spectral weight, but not yet large enough to lose all k-dependence. Data were taken at various angle settings of a VG ADES 400 spectrometer along the {Gamma}-M direction in the hexagonal zone. The overall instrument resolution was 250 meV while the acceptance cone of the analyzer was {plus minus} 2{degree}, or about 20% of the {Gamma}-M direction. Although no dispersion was observed at normal emission by varying the photon energy, substantial energy dispersion, primarily in the d-bands, was evident with k{sub 11}. From resonant photoemission experiments we established that the primary peak associated with 5f intensity is the peak within 200 meV of E{sub F}. Although our resolution was insufficient to observe any energy shifts, the peak disappeared at several angles near the M-point in the zone. We interpret this as dispersion above E{sub F}. While further measurements are necessary, this raises questions regarding the accepted models for the electronic structure. 10 refs., 1 fig.

  10. Effects of Solid-State Reaction Synthesis Processing Parameters on Thermoelectric Properties of Mg2Si

    Institute of Scientific and Technical Information of China (English)

    JIANG Hong-yi; LONG Hai-shan; ZHANG Lian-meng

    2004-01-01

    The Mg2Si-matrix thermoelectric material was synthesized by low temperature solid-state reaction.This paper studies the effects of holding time and reaction temperature on the particle size and the properties of the material,and also studies effects of doping elemental Sb,Te and their doping seqence on the properties of the material.The result shows that excessively high temperature and elongated holding time of solid-state reaction are harmful,there is a range of particle size to ensure optimum properties and the doping sequence of Sb or Te without influencing the properties.

  11. High Field Seeking State Atom Laser and Properties of Flux

    Institute of Scientific and Technical Information of China (English)

    XIA Lin; XIONG Wei; YANG Fan; YI Lin; ZHOU Xiao-Ji; CHEN Xu-Zong

    2008-01-01

    We present an experimental study on the continuous atom laser. The experiments show that a high field seeking state atom laser with stable flux can be formed by increasing the strength of outcoupling before large density fluctuations appear. It is easy to obtain a long length or high speed output with this kind of atom laser.

  12. Structural and electronic properties of cerium from LDA+U calculations

    Directory of Open Access Journals (Sweden)

    F. Kheradmand

    2008-12-01

    Full Text Available  In this work structural, electronic and magnetic properties of alpha and gamma phases of cerium crystal have been calculated by means of the LDA and LDA+U methods. The equilibrium volume and magnetic moment obtained from the GGA approximation in agreement with the experiment are equal to 27.64 Å3 and 0.00018 µB, respectively. This agreement shows that the 4f electrons in alpha phase are itinerant due to the use of the GGA, where no strong correlations have been yet thaken into account. We have observed that even after applying the GGA+U method with U = 6.1 eV, the density of states of f orbital remains still at Fermi surface. Therefore, in complete accord with the experiment, our results show that the 4f electrons in the alpha phase are not localized. This is the case where the LDA and the GGA approximations could not describe the gamma phase properly. Indeed, physical properties of the gamma phase is consistent with the experiment and could only be reproduced after applying LDA+U method with U = 4.4 eV. In this way, the value of equilibrium volume and magnetic moment calculated for the gamma phase were found to be 34.33 Å3 and 1.15 µB, respectively. After including correlations among 4f electrons the γ-Ce DOS is positioned at its more reasonable place lower than Fermi level compared with the DOS obtained from GGA calculations. Our results, then, show that the 4f electrons in the gamma phase, as opposed to the alpha phase, are localized which is indicative of the fact that gamma cerium is a strongly correlated system. The volume of 11 kbar has been obtained for the pressure of the alpha-gamma phase transition .

  13. 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.

  14. 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.

  15. Characterizing disease states from topological properties of transcriptional regulatory networks

    Directory of Open Access Journals (Sweden)

    Kluger Harriet M

    2006-05-01

    Full Text Available Abstract Background High throughput gene expression experiments yield large amounts of data that can augment our understanding of disease processes, in addition to classifying samples. Here we present new paradigms of data Separation based on construction of transcriptional regulatory networks for normal and abnormal cells using sequence predictions, literature based data and gene expression studies. We analyzed expression datasets from a number of diseased and normal cells, including different types of acute leukemia, and breast cancer with variable clinical outcome. Results We constructed sample-specific regulatory networks to identify links between transcription factors (TFs and regulated genes that differentiate between healthy and diseased states. This approach carries the advantage of identifying key transcription factor-gene pairs with differential activity between healthy and diseased states rather than merely using gene expression profiles, thus alluding to processes that may be involved in gene deregulation. We then generalized this approach by studying simultaneous changes in functionality of multiple regulatory links pointing to a regulated gene or emanating from one TF (or changes in gene centrality defined by its in-degree or out-degree measures, respectively. We found that samples can often be separated based on these measures of gene centrality more robustly than using individual links. We examined distributions of distances (the number of links needed to traverse the path between each pair of genes in the transcriptional networks for gene subsets whose collective expression profiles could best separate each dataset into predefined groups. We found that genes that optimally classify samples are concentrated in neighborhoods in the gene regulatory networks. This suggests that genes that are deregulated in diseased states exhibit a remarkable degree of connectivity. Conclusion Transcription factor-regulated gene links and

  16. Soliton Atom Laser with Quantum State Transfer Property

    Institute of Scientific and Technical Information of China (English)

    LIU Xiong-Jun; JING Hui; GE Mo-Lin

    2006-01-01

    @@ We study the nonlinear effects in the quantum states transfer technique from photons to matter waves in the three-level case, which may provide the formation of a soliton atom laser with nonclassical atoms. The validity of quantum transfer mechanism is confirmed in the presence of the intrinsic nonlinear atomic interactions. The accompanied frequency chirp effect is shown to have no influence on the grey solitons formed by the output atom laser and the possible quantum depletion effect is also briefly discussed.

  17. 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.

  18. The nonlinear squeezed one-photon states and their nonclassical properties

    Institute of Scientific and Technical Information of China (English)

    Wang Ji-Suo; Meng Xiang-Guo

    2007-01-01

    By virtue of the technique of integration within an ordered product (IWOP) of operators and the properties of the inverses of annihilation and creation operators of f-oscillator, this paper obtains two new types of squeezed operators and f-analogues of squeezed one-photon states, which are quite different from ones constructed by Song and Fan (Phys. Lett. A 294 (2002) 66). Subsequently, some nonclassical properties of the states are investigated in detail.

  19. Quantifying entanglement properties of qudit mixed states with incomplete permutation symmetry

    Science.gov (United States)

    Barasiński, Artur; Nowotarski, Mateusz

    2017-04-01

    The characterization of entanglement properties in mixed states is important from both a theoretical and a practical point of view. While the estimation of entanglement of bipartite pure states is well established, for mixed states it is a considerably much harder task. The key elements of the mixed-state entanglement theory are given by the exact solutions which sometimes are possible for special states of high symmetry problems. In this paper, we present the exact investigation on the entanglement properties for a five-parameter family of highly symmetric two-qudit mixed states with equal but arbitrary finite local Hilbert space dimension. We achieve this by extensive analysis of various conditions of separability and the entanglement classification with respect to stochastic local operations and classical communication. Furthermore, our results can be used for an arbitrary state by proper application of the proposed twirling operator.

  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. Estimation of 2nd-order derivative thermodynamic properties using the crossover lattice equation of state

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yongjin; Shin, Moon Sam [School of Chemical and Biological Engineering and Institute of Chemical Processes, Seoul National University, Seoul 151-744 (Korea, Republic of); Kim, Hwayong [School of Chemical and Biological Engineering and Institute of Chemical Processes, Seoul National University, Seoul 151-744 (Korea, Republic of)], E-mail: hwayongk@snu.ac.kr

    2008-11-15

    We apply the crossover lattice equation of state (xLF EOS) [M.S. Shin, Y. Lee, H. Kim, J. Chem. Thermodyn. 40 (2007) 174-179] to the calculations of thermodynamic 2nd-order derivative properties (isochoric heat capacity, isobaric heat capacity, isothermal compressibility, thermal expansion coefficient, Joule-Thompson coefficient, and sound speed). This equation of state is used to calculate the same properties of pure systems (carbon dioxide, normal alkanes from methane to propane). We show that, over a wide range of states, the equation of state yields properties with better accuracy than the lattice equation of state (LF EOS), and near the critical region, represents singular behavior well.

  2. Steady-state flow properties of amorphous materials

    Science.gov (United States)

    Jadhao, Vikram; O'Connor, Thomas; Robbins, Mark

    2015-03-01

    Molecular dynamics (MD) simulations are used to investigate the steady-state shear flow curves of a standard glass model: the bidisperse Lennard-Jones system. For a wide range of temperatures in the neighborhood of the glass transition temperature Tg predicted by the mode coupling theory, we compute the steady-state shear stress and viscosity as a function of the shear rate γ ˙. At temperatures near and above Tg, the stress crosses over from linear Newtonian behavior at low rates to power law shear-thinning at high rates. As T decreases below Tg, the stress shows a plateau, becoming nearly rate-independent at low γ ˙. There is a weak increase in stress that is consistent with Eyring theory for activated flow of a solid. We find that when the strain rate is reduced to extremely low values, Newtonian behavior appears once more. Insights gained from these simulations are applied to the computation of flow curves of a well-established boundary lubricant: squalane. In the elastohydrodynamic regime, squalane responds like a glassy solid with an Eyring-like response, but at low rates it has a relatively small Newtonian viscosity. Supported by the Army Research Laboratory under Grant W911NF-12-2-0022.

  3. Properties of the Triplet State of Coumarin Substituted Compounds

    Science.gov (United States)

    Bryantseva, N. G.; Gadirov, R. M.; Nikonov, S. Yu.; Sokolova, I. V.

    2015-03-01

    The absorption spectra of the triplet excited state of coumarin sensitizers are investigated both theoretically and experimentally. The most intense triplet-triplet (TT) absorption bands are determined. The experimental spectra of the T-T absorption are compared with the theoretical T-T transitions. The phosphorescence spectra of five compounds are measured at a temperature of 77 K. The quantum phosphorescence yield is determined by the method of comparison with an etalon (8-methoxypsoralen). The phosphorescence lifetime is determined for the examined molecules at a temperature of 77 K. For 3,4-phenyl-4',5'-cyclohexylpsoralen, 4'-methyl-3,4-cycloheptylpsoralen, and 4'5'-dimethyl-3,4-cyclohexylpsoralen compounds, this time is equal to 1.1, 1.25, and 2.5 s, respectively. The main energy deactivation channel for all examined compounds is the phosphorescence. The positions of the lower excited triplet states, calculated by the quantum-chemical method of intermediate neglect of differential overlap with spectroscopic parameterization (INDO/S), are confirmed by the available experimental data.

  4. State-Wide Taxation of Commercial and Industrial Property for Education

    Science.gov (United States)

    Ladd, Helen F.

    1976-01-01

    Simulates effects on educational expenditures in the Boston metropolitan area of establishing a statewide tax on commercial and industrial property to finance state aid for education. Concludes that removing business property from the local tax base for education would adversely affect the pattern of educational expenditures in the Boston area.…

  5. Ovrseas Real Property: State Department Needs to Improve Guidance and Records Management

    Science.gov (United States)

    2014-09-25

    Ciudad Juarez, Mexico , a new consulate was built; however, State retained property to accommodate and expand their mission. Officials at the posts we... Mexico , Brazil, and India, policy changes with the diplomatic mission have led to retaining property previously marked as unneeded. For example, in

  6. Demonstration of the DSST State Transition Matrix Time-Update Properties Using the Linux GTDS Program

    Science.gov (United States)

    2011-09-01

    semigroup property of the state transition matrix. In Section 4 we describe the DSST orbit determination test cases. The test cases demonstrate the...via the semigroup property and its corollary (Test 3 and Test 3B) Closure Test with Mean Elements Only (Test Case 1 and 1B) This test starts with a 10

  7. Educational Finance and the New York State Real Property Tax: The Inescapable Relationship.

    Science.gov (United States)

    New York State Div. of the Budget, Albany. Education Study Unit.

    The property tax is the single most important revenue source for local governments and school districts in New York State. Its positive attributes are its stability, simplicity, efficiency, predictability, and its contribution to local government. Yet gross inequities are associated with assessment administration of property tax. An analysis of a…

  8. Theory of the electronic and structural properties of solid state oxides

    Energy Technology Data Exchange (ETDEWEB)

    Chelikowsky, J.R.

    1990-01-01

    Studies on electronic and structural properties of solid state oxides continued. This quarter, studies have concentrated on silica. Progress is discussed in the following sections: interatomic potentials and the structural properties of silica; chemical reactivity and covalent/metallic bonding on Si clusters; and surface and thermodynamic interatomic forces fields for silicon. 64 refs., 20 figs., 5 tabs. (CBS)

  9. Electronic and optical properties of rare earth trifluorides RF{sub 3} (R La, Ce, Pr, Nd, Gd and Dy)

    Energy Technology Data Exchange (ETDEWEB)

    Saini, Sapan Mohan [National Institute of Technology Raipur (C.G.) (India); Nautiyal, Tashi, E-mail: tashifph@iitr.ernet.in [Indian Institute of Technology Roorkee, Roorkee (U.K.) (India); Auluck, Sushil [Indian Institute of Technology Roorkee, Roorkee (U.K.) (India)

    2011-09-15

    Highlights: {yields} The electronic structure and optical properties of some rare earth trifluorides. {yields} Band structure and optical properties indicate these are large band gap insulators. {yields} The 4f electrons do not play a decisive role in the optical properties of these. - Abstract: This work presents the electronic structure and optical properties of some rare earth trifluorides (RF{sub 3}) coarsely covering a large range of rare-earths with R La, Ce, Pr, Nd, Gd and Dy. Our theoretical investigations are based on the first principles, using the full potential linearized augmented plane wave method with the inclusion of spin orbit coupling. The local spin density approximation (LSDA) and the Coulomb-corrected LSDA + U method have been employed. We find that the standard LSDA approach is incapable of correctly describing the electronic properties of such materials since it positions the f-bands incorrectly resulting in an incorrect metallic ground state. On the other hand, LSDA + U approximation, known for treating the highly correlated 4f electrons properly, is able to reproduce the correct insulating ground state. Interestingly, however, we do not find any significant differences in the optical properties calculated using LSDA and LSDA + U suggesting that the 4f electrons do not play a decisive role in the optical properties of these compounds. The reflectivity for all the compounds stays low till {approx}7 eV which is consistent with their large energy gaps. The calculated energy gaps are in good agreement with experiments. Our calculated reflectivity compares well with the experimental data and the results are analyzed in the light of band to band transitions.

  10. Optical properties of the pseudogap state in deeply underdoped cuprates

    Science.gov (United States)

    Pound, Adam; Carbotte, Jules; Nicol, Elisabeth

    2011-03-01

    Recent optical measurements of deeply underdoped cuprates have revealed that a coherent Drude response persists well below the end of the superconducting dome in the phase diagram. We show that this observation is consistent with the resonating valence bond spin-liquid model proposed by Yang, Rice, and Zhang. Within this model, we analyze the three elements that cause the overall reduction in optical conductivity in the approach to the Mott insulating state: a Gutzwiller factor associated with increased correlations, which causes a reduction in the coherent part of the carrier Green's function; a shrinking of the Fermi surface defining the hole Luttinger contours; and an increase in optical effective mass. We show that each of these elements yields qualitative agreement with various experimental observations. Finally, we show how the increased magnitude of the pseudogap at low doping modifies the microwave conductivity and the Wiedemann-Franz law.

  11. Properties and uses of chlorpyrifos in the United States.

    Science.gov (United States)

    Solomon, Keith R; Williams, W Martin; Mackay, Donald; Purdy, John; Giddings, Jeffrey M; Giesy, John P

    2014-01-01

    Physical properties and use data provide the basis for estimating environmental exposures to chlorpyrifos (CPY) and for assessing its risks. The vapor pressure ofCPY is low, solubility in water is agricultural uses. In agricultural soils under field conditions,half-lives are shorter (2 to 120 d, N=58). The mean water-soil adsorption coefficient(Koc) of CPY is 8,216 mL g-1; negligible amounts enter plants via the roots,and it is not translocated in plants. Half-lives for hydrolysis in water are inversely dependent on pH, and range from 16 to 73 d. CPY is an inhibitor of acetylcholinesterase and is potentially toxic to most animals. Differences in susceptibility result from differences in rates of adsorption,distribution, metabolism, and excretion among species. CPY is an important tool in management of a large number of pests (mainly insects and mites) and is used on a wide range of crops in the U.S. Estimates of annual use in the U.S. from 2008 to 2012 range from 3.2 to 4.1 M kg y-1, which is about 50% less than the amount used prior to 2000. Applications to corn and soybeans accounts for 46-50%of CYP's annual use in the U.S.

  12. Effects of 4f Electron Characteristics and Alternation Valence of Rare Earths on Photosynthesis: Regulating Distribution of Energy and Activities of Spinach Chloroplast

    Institute of Scientific and Technical Information of China (English)

    Liu Xiaoqing; Su Mingyu; Liu Chao; Zhang Yi; Si Wenhui; Hong Fashui

    2007-01-01

    Chloroplasts were isolated from spinach treated with LaCl3, CeCl3, and NdCl3. Because of owning 4f electron characteristics and alternation valence, Ce treatment presented the highest enhancement in light absorption, energy transfer from LHCⅡ to PSⅡ, excitation energy distribution from PSⅠto PSⅡ, and fluorescence quantum yield around 680 nm. Compared with Ce treatment, Nd treatment resulted in relatively lower enhancement in these physiological indices, as Nd did not have alternation valence. La treatment presented the lowest enhancement, as La did not have either 4f electron or alternation valence. The increase in activities of whole chain electron transport, PSⅡ DCPIP photoreduction, and oxy gen evolution of chloroplasts was of the following order: Ce>Nd>La>control. However, the photoreduction activities of spinach PSⅠ almost did not change with La, Ce, or Nd treatments. The results suggested that 4f electron characteristics and alternation valence of rare earths had a close relationship with photosynthesis improvement.

  13. Solid-state optical properties of the methyl-exopyridine-anthracene rotaxane

    NARCIS (Netherlands)

    Gadret, Gregory; Zamboni, Roberto; Schouwink, Peter; Mahrt, Rainer F.; Thies, Jens; Loontjens, Ton; Leigh, David A.

    2001-01-01

    Photophysical properties in the solid state of both, an anthracene grafted rotaxane and the corresponding thread are studied. The thread in liquid and solid states as well as the rotaxane in the liquid phase exhibit only the usual anthracene-like photoluminescence (PL) behaviour, while the rotaxane

  14. Study Hankel Transforms and Properties of Bessel Function via Entangled State Representation Transformation in Quantum Mechanics

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi; WANG Yong

    2006-01-01

    In Phys. Lett. A 313 (2003) 343 we have found that the self-reciprocal Hankel transformation (HT) is embodied in quantum mechanics by a transform between two entangled state representations of continuum variables. In this work we study Hankel transforms and properties of Bessel function via entangled state representations' transformation in quantum mechanics.

  15. Global properties of linear constraints in state space and motion planning

    Institute of Scientific and Technical Information of China (English)

    陈滨; 朱海平

    1997-01-01

    Study of nonholonomic motion planning needs further research into the global properties of linear constraints in state space.The global properties of constraints,which contain the holonomicity and the nonholonomici-ty by regions,the existence of the isolated integral manifolds and the singular points and so on,have essential influence on motion planning.By analysis of the point sets in total space,the complete sketch of the global properties of linear constraints in state space is obtained,which can directly be applied to motion planning.

  16. Optical properties of the pseudogap state in underdoped cuprates

    Science.gov (United States)

    Pound, A.; Carbotte, J. P.; Nicol, E. J.

    2011-05-01

    Recent optical measurements of deeply underdoped cuprates have revealed that a coherent Drude response persists well below the end of the superconducting dome. In addition, no large increase in optical effective mass has been observed, even at dopings as low as 1%. We show that this behavior is consistent with the resonating valence bond spin-liquid model proposed by Yang, Rice, and Zhang. In this model, the overall reduction in optical conductivity in the approach to the Mott insulating state is caused not by an increase in effective mass, but by a Gutzwiller factor, which describes decreased coherence due to correlations, and by a shrinking of the Fermi surface, which decreases the number of available charge carriers. We also show that in this model, the pseudogap does not modify the low-temperature, low-frequency behavior, though the magnitude of the conductivity is greatly reduced by the Gutzwiller factor. Similarly, the profile of the temperature dependence of the microwave conductivity is largely unchanged in shape, but the Gutzwiller factor is essential in understanding the observed difference in magnitude between ortho-I and -II YBa2Cu3O y .

  17. Solid State Synthesis and Properties of Monoclinic Celsian

    Science.gov (United States)

    Bansal, Narottam P.

    1996-01-01

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

  18. Effect of molecular diameters on state-to-state transport properties: The shear viscosity coefficient

    Science.gov (United States)

    Kustova, Elena V.; Kremer, Gilberto M.

    2015-09-01

    Shear viscosity coefficient is calculated for both equilibrium and strongly non-equilibrium state-to-state vibrational distributions taking into account increasing diameters of vibrationally excited molecules. Under conditions of local thermal equilibrium, the effect of vibrational excitation on the shear viscosity coefficient is found to be negligible for temperatures below 5000 K. For T > 10 000 K, the contribution of excited states becomes important. Under non-equilibrium conditions characteristic for shock heated and supersonic expanding flows vibrational level populations deviate strongly from the Boltzmann distribution. Nevertheless, estimated coupled effect of molecular size and non-Boltzmann distributions on the shear viscosity coefficient is negligible.

  19. Ground state properties of a Bose-Einstein condensate confined in an anharmonic external potential

    Institute of Scientific and Technical Information of China (English)

    Wang Deng-Long; Yan Xiao-Hong; Tang Yi

    2004-01-01

    In light of the interference experiment of Bose-Einstein condensates, we present an anharmonic external potential model to study ground state properties of Bose-Einstein condensates. The ground state energy and the chemical potential have been analytically obtained, which are lower than those in harmonic trap. Additionally, it is found that the anharmonic strength of the external potential has an important effect on density and velocity distributions of the ground state for the Thomas-Fermi model.

  20. Quantum Fluctuation Properties of Polariton System in Thermal Vacuum State Field

    Institute of Scientific and Technical Information of China (English)

    邵彬; 余天胜; 邹健; 曾天海

    2004-01-01

    Using the theory of thermal field dynamics (TFD), a model polariton system is investigated and the squeezing properties of the polariton system at finite temperature is discussed. It is shown that when the photon field is initially in a thermal vacuum state and the phonon initially in its lowest energy level state (the vacuum state), the phonon, photon and also the polariton system can exhibit nonclassical behaviour.

  1. On accurate computations of bound state properties in three- and four-electron atomic systems

    CERN Document Server

    Frolov, Alexei M

    2016-01-01

    Results of accurate computations of bound states in three- and four-electron atomic systems are discussed. Bound state properties of the four-electron lithium ion Li$^{-}$ in its ground $2^{2}S-$state are determined from the results of accurate, variational computations. We also consider a closely related problem of accurate numerical evaluation of the half-life of the beryllium-7 isotope. This problem is of paramount importance for modern radiochemistry.

  2. The Management Of Intellectual Property In A Romanian State University Where Research Represents A Strength

    Science.gov (United States)

    Tîţu, Aurel Mihail; Oprean, Constantin; Răulea, Andreea Simina

    2015-07-01

    The transition to the knowledge-based economy and society requires adaptation to constant change that implies intellectual property as a multidimensional concept that continually leaves its mark on generations contributing to their well-being in obvious and undeniable ways. The main objective of this article was to assess the present level of the management of intellectual property in a state university in Romania displaying their strengths and weaknesses. The overall objective of the work is to analyze the state of the art in a Romanian state university in order to find solutions to the current problems that the Romanian scientific environment is facing. The conclusions drawn in the study converge in directions and proposals for improving the way in which the intellectual property is regarded and its management in the state universities of Romania.

  3. Assessing the Current State of Cognitive Frailty: Measurement Properties.

    Science.gov (United States)

    Sargent, L; Brown, R

    2017-01-01

    associations inculded slow gait and executive function (β -0.20, p < 0.008 ), attention (β -0.25 p < 0.008), processing speed (β -0.16, p < 0.008), word recall (β - 0.18, p = 0.02), and logical memory (β = 0.04, p =0.04). Weak grip was predictive for changes in executive function (β - 0.16, p =0.008). Physical activity was associated with changes in executive function (β = -0.18, p= 0.02) and word recall (β = 0.17, p= 0.02), individual components of frailty and global cognitive function were found in several studies which included grip strength (r = - 0.51, p < 0.001), gait speed (r = - 0.067, p < 0.001), and exhaustion (β - 0.18, p < 0.008). This paper presents the first-known review of the measurement properties for the cognitive frailty construct since the published results from the International Consensus Group (I.A.N.A/I.A.G.G). Evidence presented in this review continues to support the link between physical frailty and cognition with developing validity to support distinct relationships between components of physical frailty and cognitive decline. Results call attention to inconsistencies in reporting of reliability, validity, and heterogeneity in the measurements and operational definition for cognitive frailty. Further research is needed to establish an operational definition and develop psychometrically appropriate clinical measures to construct an understanding of the relationship between physical frailty and cognitive decline.

  4. Nonclassical properties of electronic states of aperiodic chains in a homogeneous electric field

    Science.gov (United States)

    Spisak, B. J.; Wołoszyn, M.

    2009-07-01

    The electronic energy levels of one-dimensional aperiodic systems driven by a homogeneous electric field are studied by means of a phase-space description based on the Wigner distribution function. The formulation provides physical insight into the quantum nature of the electronic states for the aperiodic systems generated by the Fibonacci and Thue-Morse sequences. The nonclassical parameter for electronic states is studied as a function of the magnitude of homogeneous electric field to achieve the main result of this work, which is to prove that the nonclassical properties of the electronic states in the aperiodic systems determine the transition probability between electronic states in the region of anticrossings. The localization properties of electronic states and the uncertainty product of momentum and position variables are also calculated as functions of the electric field.

  5. Coherent states for nonlinear harmonic oscillator and some of its properties

    Energy Technology Data Exchange (ETDEWEB)

    Amir, Naila, E-mail: naila.amir@live.com, E-mail: naila.amir@sns.nust.edu.pk; Iqbal, Shahid, E-mail: sic80@hotmail.com, E-mail: siqbal@sns.nust.edu.pk [School of Natural Sciences, National University of Sciences and Technology, Islamabad (Pakistan)

    2015-06-15

    A one-dimensional nonlinear harmonic oscillator is studied in the context of generalized coherent states. We develop a perturbative framework to compute the eigenvalues and eigenstates for the quantum nonlinear oscillator and construct the generalized coherent states based on Gazeau-Klauder formalism. We analyze their statistical properties by means of Mandel parameter and second order correlation function. Our analysis reveals that the constructed coherent states exhibit super-Poissonian statistics. Moreover, it is shown that the coherent states mimic the phenomena of quantum revivals and fractional revivals during their time evolution. The validity of our results has been discussed in terms of various parametric bounds imposed by our computational scheme.

  6. Properties of the {sup 12}C 10 MeV state determined through {beta}-decay

    Energy Technology Data Exchange (ETDEWEB)

    Diget, C.A. [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Barker, F.C. [Department of Theoretical Physics, Research School of Physical Sciences and Engineering, Australian National University, Canberra ACT 0200 (Australia); Borge, M.J.G. [Instituto Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Cederkaell, J. [ISOLDE-CERN, CH-1211 Geneva 23 (Switzerland); Fedosseev, V.N. [ISOLDE-CERN, CH-1211 Geneva 23 (Switzerland); Fraile, L.M. [ISOLDE-CERN, CH-1211 Geneva 23 (Switzerland); Fulton, B.R. [Department of Physics, University of York, Heslington, YO10 5DD (United Kingdom); Fynbo, H.O.U. [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark)]. E-mail: fynbo@phys.au.dk; Jeppesen, H.B. [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Jonson, B. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); Koester, U. [ISOLDE-CERN, CH-1211 Geneva 23 (Switzerland); Meister, M. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); Nilsson, T. [ISOLDE-CERN, CH-1211 Geneva 23 (Switzerland); Nyman, G. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); Prezado, Y. [Instituto Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Riisager, K. [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Rinta-Antila, S. [Department of Physics, University of Jyvaeskylae, FIN-40351 Jyvaeskylae (Finland); Tengblad, O. [Instituto Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Turrion, M. [Instituto Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Wilhelmsen, K. [Fundamental Fysik, Chalmers Tekniska Hoegskola, S-412 96 Goeteborg (Sweden); Aeystoe, J. [Department of Physics, University of Jyvaeskylae, FIN-40351 Jyvaeskylae (Finland); Helsinki Institute of Physics, University of Helsinki, FIN-00014 Helsinki (Finland)

    2005-10-03

    The {beta}-delayed triple-{alpha} particle decay of {sup 12}B has been measured with a setup that favours coincidence detection. A broad state in {sup 12}C, previously reported around 10 MeV, has been seen and its properties determined through R-matrix analysis of the excitation spectrum. The spin and parity are 0{sup +}. Interference between this state and the Hoyle state at 7.654 MeV has a marked influence on the spectrum. The coupling between the two states makes it difficult to determine the resonance energy.

  7. Electronic and optical properties of Praseodymium trifluoride

    Energy Technology Data Exchange (ETDEWEB)

    Saini, Sapan Mohan, E-mail: smsaini.phy@nitrr.ac.in [Department of Physics, National Institute of Technology, Raipur-492010, (CG) (India)

    2014-10-24

    We report the role of f- states on electronic and optical properties of Praseodymium trifluoride (PrF{sub 3}) compound. Full potential linearized augmented plane wave (FPLAPW) method with the inclusion of spin orbit coupling has been used. We employed the local spin density approximation (LSDA) and Coulomb-corrected local spin density approximation (LSDA+U). LSDA+U is known for treating the highly correlated 4f electrons properly. Our theoretical investigation shows that LSDA+U approximation reproduce the correct insulating ground state of PrF{sub 3}. On the other hand there is no significant difference of reflectivity calculated by LSDA and LSDA+U. We find that the reflectivity for PrF{sub 3} compound stays low till around 7 eV which is consistent with their large energy gaps. Our calculated reflectivity compares well with the experimental data. The results are analyzed in the light of transitions involved.

  8. [Relationship among soil enzyme activities, vegetation state, and soil chemical properties of coal cinder yard].

    Science.gov (United States)

    Wang, Youbao; Zhang, Li; Liu, Dengyi

    2003-01-01

    From field investigation and laboratory analysis, the relationships among soil enzyme activities, vegetation state and soil chemical properties of coal cinder yard in thermal power station were studied. The results showed that vegetation on coal cinder yard was distributed in scattered patch mainly with single species of plant, and herbs were the dominant species. At the same time, the activity of three soil enzymes had a stronger relativity to environment conditions, such as vegetation state and soil chemical properties. The sensitivity of three soil enzymes to environmental stress was in order of urease > sucrase > catalase. The relativity of three soil enzymes to environmental factor was in order of sucrase > urease > catalase. Because of urease being the most susceptible enzyme to environmental conditions, and it was marked or utmost marked interrelated with vegetation state and soil chemical properties, urease activity could be used as an indicator for the reclamation of wasteland.

  9. Properties of the triplet metastable states of the alkaline-earth atoms

    CERN Document Server

    Mitroy, J

    2004-01-01

    The static and dynamic properties of the alkaline-earth atoms in their metastable state are computed in a configuration interaction approach with a semi-empirical 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.

  10. Electronic States in Thorium under Pressure

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Jan, J. P.

    1980-01-01

    ) the electronic band structure is formed by 7s and 6d states while the bottom of a relatively broad 5f band is positioned 0.07 Ry above EF. The calculated extremal areas of the Fermi surface and their calculated pressure dependence agree with earlier calculations and with de Haas-van Alphen measurements......We have used the local-density formalism and the atomic-sphere approximation to calculate self-consistently the electronic properties of thorium at pressures up to 400 kbar. The derived equation of state agrees very well with static pressure experiments and shock data. Below the Fermi level (EF...... supporting the validity of the itinerant description of the 5f electrons for the light actinides. The calculation shows that the gradual s to d transition taking place at pressures up to 200 kbar is the cause of the unusual pressure dependence of the Fermi surface seen experimentally....

  11. 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

    Accurate modelling of reservoir fluids containing hydrocarbons, water, and a hydrate inhibitor is an important area for the petroleum industry. Often cubic Equations of State as for example the SRK equation are used. It is desirable that the applied thermodynamic model is applicable not only...... to calculate phase compositions and saturation conditions but also phase properties like density and heat capacity. Hydrocarbon phase properties can generally be simulated quite accurately using a conventional cubic equation of state with a volume shift parameter. As petroleum reservoir fluids are often...

  12. Construction of photon-added spin coherent states and their statistical properties

    Energy Technology Data Exchange (ETDEWEB)

    Berrada, K., E-mail: kberrada@ictp.it [Al Imam Mohammad Ibn Saud Islamic University (IMSIU), College of Science, Department of Physics, Riyadh (Saudi Arabia); The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, Miramare-Trieste (Italy)

    2015-07-15

    In the present work, we construct and investigate some properties of the photon-added spin coherent states (PA-SCSs). The Klauder’s minimal set of conditions required to obtain coherent states are discussed. We give the analytical form for the positive weight function in the resolution of unity. Finally, we examine the statistical properties of the PA-SCSs in terms of different parameters using the Mandel’s Q-parameter. All these quantities are expressed in terms of hypergeometric and Meijer G-functions, and so, the PA-SCSs are a new field of application for these functions.

  13. Finite-dimensional even and odd nonlinear pair coherent states and their some nonclassical properties

    Institute of Scientific and Technical Information of China (English)

    Meng Xiang-Guo; Wang Ji-Suo; Liu Tang-Kun

    2008-01-01

    In this paper a new class of finite-dimensional even and odd nonlinear pair coherent states(EONLPCSs),which can be realized via operating the superposed evolution operators D±(τ)on the state |q,0),is constructed,then their orthonormalized property,completeness relations and some nonclassical properties are discussed.It is shown that the finite-dimensional EONLPCSs possess normalization and completeness relations.Moreover,the finite-dimensional EONLPCSs exhibit remarkably different sub-Poissonian distributions and phase probability distributions for different values of parameters q,η and ξ.

  14. Inhomogeneous cartilage properties enhance superficial interstitial fluid support and frictional properties, but do not provide a homogeneous state of stress.

    Science.gov (United States)

    Krishnan, Ramaswamy; Park, Seonghun; Eckstein, Felix; Ateshian, Gerard A

    2003-10-01

    It has been well established that articular cartilage is compositionally and mechanically inhomogenous through its depth. To what extent this structural inhomogeneity is a prerequisite for appropriate cartilage function and integrity is not well understood. The first hypothesis to be tested in this study was that the depth-dependent inhomogeneity of the cartilage acts to maximize the interstitial fluid load support at the articular surface, to provide efficient frictional and wear properties. The second hypothesis was that the inhomogeneity produces a more homogeneous state of elastic stress in the matrix than would be achieved with uniform properties. We have, for the first time, simultaneously determined depth-dependent tensile and compressive properties of human patellofemoral cartilage from unconfined compression stress relaxation tests. The results show that the tensile modulus increases significantly from 4.1 +/- 1.9 MPa in the deep zone to 8.3 +/- 3.7 MPa at the superficial zone, while the compressive modulus decreases from 0.73 +/- 0.26 MPa to 0.28 +/- 0.16 MPa. The experimental measurements were then implemented with the finite-element method to compute the response of an inhomogeneous and homogeneous cartilage layer to loading. The finite-element models demonstrate that structural inhomogeneity acts to increase the interstitial fluid load support at the articular surface. However, the state of stress, strain, or strain energy density in the solid matrix remained inhomogeneous through the depth of the articular layer, whether or not inhomogeneous material properties were employed. We suggest that increased fluid load support at the articular surface enhances the frictional and wear properties of articular cartilage, but that the tissue is not functionally adapted to produce homogeneous stress, strain, or strain energy density distributions. Interstitial fluid pressurization, but not a homogeneous elastic stress distribution, appears thus to be a

  15. Properties and construction of extreme bipartite states having positive partial transpose

    CERN Document Server

    Chen, Lin

    2012-01-01

    We investigate the set E of extreme points of the compact convex set of PPT states (i.e., the states having positive semidefinite partial transpose) of a bipartite MxN quantum system. Let E(M,N,r) denote the subset of E consisting of states of rank r which are supported on MxN. We show that for M,N>2 the sets E(M,N,M+N-2) are nonempty. On the other hand we show that for M,N>3 the sets E(M,N,N+1) are empty. It is known that the set E(M,N,MN) is empty, and we show that also the set E(M,N,MN-1) is empty. We divide the set of all states into the good and the bad states (the definition is too technical to be given here). We show that the good states have many good properties.

  16. Computational Models of Thermodynamic Properties of Uranium Nitride

    Science.gov (United States)

    Mei, Zhi-Gang; Stan, Marius

    2014-06-01

    The structural, elastic, electronic, phonon and thermodynamic properties of uranium nitride (UN) have been systematically studied by density functional theory (DFT) calculations. The calculated electronic band structure shows that UN is a metallic phase. The ground state structural and elastic properties predicted by DFT agree well with experiments. The thermodynamic properties of UN are studied by quasiharmonic approximation by including both lattice vibrational and thermal electronic contributions to free energies. The calculated enthalpy, entropy, Gibbs energy and heat capacity show an excellent agreement with experimental results. The thermal electronic contribution due to 5f electrons of U is found to be critical to describe the free energy of UN due to its metallic character.

  17. Covariant energy density functionals: nuclear matter constraints and global ground state properties

    CERN Document Server

    Afanasjev, A V

    2016-01-01

    The correlations between global description of the ground state properties (binding energies, charge radii) and nuclear matter properties of the state-of-the-art covariant energy density functionals have been studied. It was concluded that the strict enforcement of the constraints on the nuclear matter properties (NMP) defined in Ref.\\ \\cite{RMF-nm} will not necessary lead to the functionals with good description of the binding energies and other ground and excited state properties. In addition, it will not substantially reduce the uncertainties in the predictions of the binding energies in neutron-rich systems. It turns out that the functionals, which come close to satisfying these NMP constraints, have some problems in the description of existing data. On the other hand, these problems are either absent or much smaller in the functionals which are carefully fitted to finite nuclei but which violate some NMP constraints. This is a consequence of the fact that the properties of finite nuclei are defined not o...

  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...

  19. Constraints on the Skyrme equations of state from properties of doubly magic nuclei.

    Science.gov (United States)

    Brown, B Alex

    2013-12-06

    I use properties of doubly magic nuclei to constrain symmetric nuclear matter and neutron matter equations of state. I conclude that these data determine the value of the neutron equation of state at a density of ρ(on)=0.10  nucleons/fm3 to be 11.4(10) MeV. The slope at that point is constrained by the value of the neutron skin. Analytical equations are given that show the dependence of the Skyrme equations of state on the neutron skin.

  20. Feller property and exponential ergodicity of diffusion processes with state-dependent switching

    Institute of Scientific and Technical Information of China (English)

    XI FuBao

    2008-01-01

    In this paper we consider the Feller property and the exponential ergodicity for general diffusion processes with State-dependent switching. We prove their Feller continuity by means of intro-ducing some auxiliary processes and by making use of the Radon-Nikodym derivatives. Furthermore, we also prove their strong Feller continuity and their exponential ergodicity under some reasonable conditions.

  1. Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction.

    Science.gov (United States)

    Bachman, John Christopher; Muy, Sokseiha; Grimaud, Alexis; Chang, Hao-Hsun; Pour, Nir; Lux, Simon F; Paschos, Odysseas; Maglia, Filippo; Lupart, Saskia; Lamp, Peter; Giordano, Livia; Shao-Horn, Yang

    2016-01-13

    This Review is focused on ion-transport mechanisms and fundamental properties of solid-state electrolytes to be used in electrochemical energy-storage systems. Properties of the migrating species significantly affecting diffusion, including the valency and ionic radius, are discussed. The natures of the ligand and metal composing the skeleton of the host framework are analyzed and shown to have large impacts on the performance of solid-state electrolytes. A comprehensive identification of the candidate migrating species and structures is carried out. Not only the bulk properties of the conductors are explored, but the concept of tuning the conductivity through interfacial effects-specifically controlling grain boundaries and strain at the interfaces-is introduced. High-frequency dielectric constants and frequencies of low-energy optical phonons are shown as examples of properties that correlate with activation energy across many classes of ionic conductors. Experimental studies and theoretical results are discussed in parallel to give a pathway for further improvement of solid-state electrolytes. Through this discussion, the present Review aims to provide insight into the physical parameters affecting the diffusion process, to allow for more efficient and target-oriented research on improving solid-state ion conductors.

  2. 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…

  3. Feller property and exponential ergodicity of diffusion processes with state-dependent switching

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In this paper we consider the Feller property and the exponential ergodicity for general diffusion processes with state-dependent switching. We prove their Feller continuity by means of intro- ducing some auxiliary processes and by making use of the Radon-Nikodym derivatives. Furthermore, we also prove their strong Feller continuity and their exponential ergodicity under some reasonable conditions.

  4. 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…

  5. Ground-state and Pairing Properties of Pr Isotopes in RMF Theory

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The ground-state and pairing properties of Pr (Z=59) isotopes have been investigated in therelativistic mean-field (RMF). The pairing correlation is studied in Bardeen-Cooper-Schrieffer (BCS) approximation and the pairingforces are taken to be isospin dependent. The ’blocking’ method is adopted to deal with unpaired odd

  6. Exploring Solid-State Structure and Physical Properties: A Molecular and Crystal Model Exercise

    Science.gov (United States)

    Bindel, Thomas H.

    2008-01-01

    A crystal model laboratory exercise is presented that allows students to examine relations among the microscopic-macroscopic-symbolic levels, using crystalline mineral samples and corresponding crystal models. Students explore the relationship between solid-state structure and crystal form. Other structure-property relationships are explored. The…

  7. Exploring Solid-State Structure and Physical Properties: A Molecular and Crystal Model Exercise

    Science.gov (United States)

    Bindel, Thomas H.

    2008-01-01

    A crystal model laboratory exercise is presented that allows students to examine relations among the microscopic-macroscopic-symbolic levels, using crystalline mineral samples and corresponding crystal models. Students explore the relationship between solid-state structure and crystal form. Other structure-property relationships are explored. The…

  8. Synthesis, characterization and DFT calculations of electronic and optical properties of YbPO4

    Science.gov (United States)

    Khadraoui, Z.; Horchani-Naifer, K.; Ferhi, M.; Ferid, M.

    2015-08-01

    YbPO4 crystals were synthesized by solid-state reaction and characterized by X-ray diffraction, infrared and Raman spectroscopies. The electronic structure and optical properties of YbPO4 such as the energy band structures, density of states and chemical bonds were calculated with the Density Functional Theory (DFT) for the first time. We present a combination of the GGA and the LDA + U approaches in order to obtain appropriate results due to the strong Coulomb repulsion between the highly localized 4f electrons of rare earth atoms. The linear photon-energy-dependent dielectric functions, conductivity and some optical constants such as refractive index, reflectivity and absorption coefficients were determined. The calculated total and partial densities of states indicate that the top of valance band is built upon O-2p states with P-3p states via σ (P-O) interactions, and the conduction bands mostly originate from Yb-5d states.

  9. Excited State Properties of Fluorine-Substituted Hexabenzocoronene: A Quantum-Chemical Characterization

    Institute of Scientific and Technical Information of China (English)

    LI Yuan-Zuo; SUN Yu; LI Yong-Qing; MA Feng-Cai

    2006-01-01

    The first fluorine-substituted hexabenzocoronene has been synthesized and its electronic structure and optical properties have been reported [Q. Zhang, et al., Org. Lett.7 (2005) 5019]. In this letter, the electronic structure and excited state properties of the fluorine-substituted hexabenzocoronene are studied with quantum chemistry method as well as the transition and the charge difference densities. The transition densities show the orientations and strength of the dipole moments and the charge difference densities reveal the orientation and results of the intramolecular charge transfer. The calculated transition energies and oscillator strengths are consistent with the experimental data, and the theoretical results of transition and charge difference densities are valuable to understanding the excited state properties of the fluorine-substituted hexabenzocoronene.

  10. Molecular states in double quantum wells: nanochemistry for metatmaterials with new optical properties

    Science.gov (United States)

    Gutierrez, Rafael M.; Castañeda, Arcesio

    2009-08-01

    Quantum mechanics explains the existence and properties of the chemical bond responsible for the formation of molecules from isolated atoms. In this work we study quantum states of Double Quantum Wells, DQW, formed from isolated Single Quantum Wells, SQWs, that can be considered metamaterials. Using the quantum chemistry definition of the covalent bond, we discuss molecular states in DQW as a kind of nanochemistry of metamaterials with new properties, in particular new optical properties. An important particularity of such nanochemistry, is the possible experimental control of the geometrical parameters and effective masses characterizing the semiconductor heterostructures represented by the corresponding DQW. This implies a great potential for new applications of the controlled optical properties of the metamaterials. The use of ab initio methods of intensive numerical calculations permits to obtain macroscopic optical properties of the metamaterials from the fundamental components: the spatial distribution of the atoms and molecules constituting the semiconductor layers. The metamaterial new optical properties emerge from the coexistence of many body processes at atomic and molecular level and complex quantum phenomena such as covalent-like bonds at nanometric dimensions.

  11. Superconducting properties of the s ±-wave state: Fe-based superconductors

    Science.gov (United States)

    Bang, Yunkyu; Stewart, G. R.

    2017-03-01

    Although the pairing mechanism of Fe-based superconductors (FeSCs) has not yet been settled with consensus with regard to the pairing symmetry and the superconducting (SC) gap function, the vast majority of experiments support the existence of spin-singlet sign-changing s-wave SC gaps on multi-bands ({{s}+/- } -wave state). This multi-band {{s}+/- } -wave state is a very unique gap state per se and displays numerous unexpected novel SC properties, such as a strong reduction of the coherence peak, non-trivial impurity effects, nodal-gap-like nuclear magnetic resonance signals, various Volovik effects in the specific heat (SH) and thermal conductivity, and anomalous scaling behaviors with a SH jump and condensation energy versus T c, etc. In particular, many of these non-trivial SC properties can easily be mistaken as evidence for a nodal-gap state such as a d-wave gap. In this review, we provide detailed explanations of the theoretical principles for the various non-trivial SC properties of the {{s}+/- } -wave pairing state, and then critically compare the theoretical predictions with experiments on FeSCs. This will provide a pedagogical overview of to what extent we can coherently understand the wide range of different experiments on FeSCs within the {{s}+/- } -wave gap model.

  12. 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.

  13. Estimation of LISS(local input-to-state stability) properties for nonlinear systems

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Compared with input-to-state stability(ISS) in global version,the concept of local input-to-state stability(LISS) is more relevant and meaningful in practice.The key of assessing LISS properties lies in investigating three main ingredients,the local region of initial states,the local region of external inputs and the asymptotic gain.It is the objective of this paper to propose a numerical algorithm for estimating LISS properties on the theoretical foundation of quadratic form LISS-Lyapunov function.Given developments of linear matrix inequality(LMI) methods,this algorithm is effective and powerful.A typical power electronics based system with common DC bus is served as a demonstration for quantitative results.

  14. Neurons with Graded Response Have Collective Computational Properties like Those of Two-State Neurons

    Science.gov (United States)

    Hopfield, J. J.

    1984-05-01

    A model for a large network of ``neurons'' with a graded response (or sigmoid input--output relation) is studied. This deterministic system has collective properties in very close correspondence with the earlier stochastic model based on McCulloch--Pitts neurons. The content-addressable memory and other emergent collective properties of the original model also are present in the graded response model. The idea that such collective properties are used in biological systems is given added credence by the continued presence of such properties for more nearly biological ``neurons.'' Collective analog electrical circuits of the kind described will certainly function. The collective states of the two models have a simple correspondence. The original model will continue to be useful for simulations, because its connection to graded response systems is established. Equations that include the effect of action potentials in the graded response system are also developed.

  15. Properties of rare-earth iron garnets from first principles

    Science.gov (United States)

    Nakamoto, Ryan; Xu, Bin; Xu, Changsong; Xu, Hu; Bellaiche, L.

    2017-01-01

    Structural and magnetic properties of rare-earth iron garnets (RIG), which contain 160 atoms per unit cell, are systematically investigated for rare-earth elements varying from La to Lu (and including Y), by performing spin polarized density-functional calculations. The effects of 4 f electrons (as core or as valence electrons) on the lattice constant, internal coordinates, and bond lengths are found to be rather small, with these predicted structural properties agreeing rather well with available experiments. On the other hand, treating such electrons as valence electrons is essential to interpret the total magnetization measured in some RIG at low temperature, the different orientation and magnitude of the magnetizations that Fe and rare-earth ions can adopt and to also explain why some RIG have a compensation temperature while others do not. The magnetic exchange couplings and orbital-projected density of states are also reported for two representative materials, namely Gd3Fe5O12 and Nd3Fe5O12 , when accounting for their 4 f electrons.

  16. Flavor SU(3) properties of beauty tetraquark states with three different light quarks

    Science.gov (United States)

    He, Xiao-Gang; Ko, Pyungwon

    2016-10-01

    Beauty tetraquark states X (b bar q‧q″ q bar) composed of b bar su d bar , b bar ds u bar , and b bar ud s bar , are unique that all the four valence quarks are different. Although the claim of existence of the first two states by D0 was not confirmed by data from LHCb, the possibility of such states still generated a lot of interests and should be pursued further. Non-observation of X (b bar q‧q″ q bar) states by LHCb may be just due to a still lower production rate than the limit of LHCb or at some different mass ranges. In this work we use light quark SU (3) flavor symmetry as guideline to classify symmetry properties of beauty tetraquark states. The multiplets which contain states with three different light quarks must be one of 6 bar or 15 of SU (3) representations. We study possible decays of such a tetraquark state into a B meson and a light pseudoscalar octet meson by constructing a leading order chiral Lagrangian, and also provide search strategies to determine whether a given tetraquark state of this type belongs to 6 bar or 15. If X (b bar q‧q″ q bar) belongs to 15, there are new doubly charged tetraquark states b bar uu d bar and b bar uu s bar .

  17. Flavor SU(3 properties of beauty tetraquark states with three different light quarks

    Directory of Open Access Journals (Sweden)

    Xiao-Gang He

    2016-10-01

    Full Text Available Beauty tetraquark states X(b¯q′q″q¯ composed of b¯sud¯, b¯dsu¯, and b¯uds¯, are unique that all the four valence quarks are different. Although the claim of existence of the first two states by D0 was not confirmed by data from LHCb, the possibility of such states still generated a lot of interests and should be pursued further. Non-observation of X(b¯q′q″q¯ states by LHCb may be just due to a still lower production rate than the limit of LHCb or at some different mass ranges. In this work we use light quark SU(3 flavor symmetry as guideline to classify symmetry properties of beauty tetraquark states. The multiplets which contain states with three different light quarks must be one of 6¯ or 15 of SU(3 representations. We study possible decays of such a tetraquark state into a B meson and a light pseudoscalar octet meson by constructing a leading order chiral Lagrangian, and also provide search strategies to determine whether a given tetraquark state of this type belongs to 6¯ or 15. If X(b¯q′q″q¯ belongs to 15, there are new doubly charged tetraquark states b¯uud¯ and b¯uus¯.

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

    CERN Document Server

    Chekanov, S; Krakauer, D A; Magill, S; Musgrave, B; Pellegrino, A; Repond, J; Yoshida, R; Mattingly, M C K; Antonioli, P; Bari, G; Basile, M; Bellagamba, L; Boscherini, D; Bruni, A; Bruni, G; Cara Romeo, G; Cifarelli, Luisa; Cindolo, F; Contin, A; Corradi, M; De Pasquale, S; Giusti, P; Iacobucci, G; Levi, G; Margotti, A; Massam, Thomas; Nania, R; Palmonari, F; Pesci, A; Sar--, G; Zichichi, A; Aghuzumtsyan, G; Brock, I; Goers, S; Hartmann, H; Hilger, E; Irrgang, P; Jakob, H P; Kappes, A; Katz, U F; Kerger, R; Kind, O; Paul, E; Rautenberg, J; Schnurbusch, H; Stifutkin, A; Tandler, J; Voss, K C; Weber, A; Wieber, H; Bailey, D S; Brook, N H; Cole, J E; Heath, B; Foster G P; Heath, H F; Robins, S; Rodrigues, E; Scott, J; Tapper, R J; Wing, M; Capua, M; Mastroberardino, A; Schioppa, M; Susinno, G; Jeoung, H Y; Kim, J Y; Lee, J H; Lim, I T; Ma, K J; Pac, M Y; Caldwell, A; Helbich, M; Liu, W; Liu, X; Mellado, B; Paganis, S; Sampson, S; Schmidke, W B; Sciulli, F; Chwastowski, J; Eskreys, Andrzej; Figiel, J; Klimek, K; Olkiewicz, K; Przybycien, M B; Stopa, P; Zawiejski, L; Bednarek, B; Grabowska-Bold, I; Jelen, K; Kisielewska, D; Kowal, A M; Kowal, M; Kowalski, T; Mindur, B; Rulikowska-Zarebska, E; Suszycki, L; Szuba, D; Szuba, J; Kotanski, Andrzej; Bauerdick, L A T; Behrens, U; Borras, K; Chiochia, V; Crittenden, James Arthur; Dannheim, D; Desler, K; Drews, G; Fox-Murphy, A; Fricke, U; Geiser, A; Göbel, F; Göttlicher, P; Graciani, R; Haas, T; Hain, W; Hartner, G F; Hebbel, K; Hillert, S; Koch, W; Kötz, U; Kowalski, H; Labes, H; Löhr, B; Mankel, R; Martens, J; Martínez, M; Milite, M; Moritz, M; Notz, D; Petrucci, M C; Polini, A; Schneekloth, U; Selonke, F; Stonjek, S; Wolf, G; Wollmer, U; Whitmore, J J; Wichmann, R; Youngman, C; Zeuner, W; Coldewey, C; López-Duran-Viani, A; Meyer, A; Schlenstedt, S; Barbagli, G; Gallo, E; Pelfer, P G; Bamberger, Andreas; Benen, A; Coppola, N; Markun, P; Raach, H; Wölfle, S; Bell, M; Bussey, Peter J; Doyle, A T; Glasman, C; Lee, S W; Lupi, A; McCance, G J; Saxon, D H; Skillicorn, Ian O; Bodmann, B; Gendner, N; Holm, U; Salehi, H; Wick, K; Yildirim, A; Ziegler, A; Carli, T; Garfagnini, A; Gialas, I; Lohrmann, E; Foudas, C; Goncalo, R; Long, K R; Metlica, F; Miller, D B; Tapper, A D; Walker, R; Cloth, P; Filges, D; Kuze, M; Nagano, K; Tokushuku, K; Yamada, S; Yamazaki, Y; Barakbaev, A N; Boos, E G; Pokrovskiy, N S; Zhautykov, B O; Ahn, S H; Lee, S B; Park, S K; Lim, H; Son, D; Barreiro, F; García, G; González, O; Labarga, L; Del Peso, J; Redondo, I; Terron, J; Vázquez, M; Barbi, M; Bertolin, A; Corriveau, F; Ochs, A; Padhi, S; Stairs, D G; Tsurugai, T; Antonov, A; Bashkirov, V; Danilov, P; Dolgoshein, B A; Gladkov, D; Sosnovtsev, V V; Suchkov, S; Dementiev, R K; Ermolov, P F; Golubkov, Yu A; Katkov, I I; Khein, L A; Korotkova, N A; Korzhavina, I A; Kuzmin, V A; Levchenko, B B; Lukina, O Yu; Proskuryakov, A S; Solomin, A N; Vlasov, N N; Zotkin, S A; Bokel, C; Engelen, J; Grijpink, S; Maddox, E; Koffeman, E; Kooijman, P; Schagen, S; Tassi, E; Tiecke, H G; Tuning, N; Velthuis, J J; Wiggers, L; De Wolf, E; Brümmer, N; Bylsma, B; Durkin, L S; Gilmore, J; Ginsburg, C M; Kim, C L; Ling, T Y; Boogert, S; Cooper-Sarkar, A M; Devenish, R C E; Ferrando, J; Grosse-Knetter, J; Matsushita, T; Rigby, M; Ruske, O; Sutton, M R; Walczak, R; Brugnera, R; Carlin, R; Dal Corso, F; Dusini, S; Limentani, S; Longhin, A; Parenti, A; Posocco, M; Stanco, L; Turcato, M; Adamczyk, L; Iannotti, L; Oh, B Y; Saull, P R B; Toothacker, W S; Iga, Y; D'Agostini, Giulio; Marini, G; Nigro, A; Cormack, C; Hart, J C; McCubbin, N A; Heusch, C A; Park, I H; Pavel, N; Abramowicz, H; Dagan, S; Gabareen, A; Kananov, S; Kreisel, A; Levy, A; Abe, T; Fusayasu, T; Kohno, T; Umemori, K; Yamashita, T; Hamatsu, R; Hirose, T; Inuzuka, M; Kitamura, S; Matsuzawa, K; Nishimura, T; Arneodo, M; Cartiglia, N; Cirio, R; Costa, M; Ferrero, M I; Maselli, S; Monaco, V; Peroni, C; Ruspa, M; Sacchi, R; Solano, A; Staiano, A; Bailey, D C; Fagerstroem, C P; Galea, R; Koop, T; Levman, G M; Martin, J F; Mirea, A; Sabetfakhri, A; Butterworth, J M; Gwenlan, C; Hall-Wilton, R; Hayes, M E; Heaphy, E A; Jones, T W; Lane, J B; Lightwood, M S; West, B J; Ciborowski, J; Ciesielski, R; Grzelak, G; Nowak, R J; Pawlak, J M; Smalska, B; Tymieniecka, T; Ukleja, J; Zakrzewski, J A; Adamus, M; Plucinsky, P P; Sztuk, J; Eisenberg, Y; Gladilin, L K; Hochman, D; Karshon, U; Breitweg, J; Chapin, D; Cross, R; Kcira, D; Lammers, S; Reeder, D D; Savin, A A; Smith, W H; Deshpande, A A; Dhawan, S; Straub, V W; Hughes P B; Bhadra, S; Catterall, C D; Frisken, W R; Khakzad, M; Menary, S R

    2001-01-01

    Characteristics of the hadronic final state of diffractive deep inelastic scattering events, ep -> eXp, were studied in the kinematic range 4 < M_X < 35 GeV, 4 < Q^2 < 150 GeV^2, 70 < W < 250 GeV and 0.0003 < x_pom < 0.03 with the ZEUS detector at 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 qqg states at the par...

  19. Enhancement of Gleditsia sinensis gum rheological properties with pressure cell treatment in semi-solid state.

    Science.gov (United States)

    Zhou, Zi-yuan; Zhang, Wei-an; Duan, Jiu-fang; Zhang, Wei-ming; Sun, Da-feng; Jiang, Jian-xin

    2016-03-01

    The apparent viscosity, molecular weight, and molecular weight distribution are important physical properties that determine the functional properties of galactomannan gum. Gleditsia sinensis gum (GSG) in semi-solid state was pressure cell treated over a range of temperature (30-110 °C) under nitrogen maintained at a pressure of 1.0-4.0 MPa. Physicochemical properties of GSG samples both before and after the pressure cell treatment were characterized. These include measurements of rheological properties by LVDV-III Ultra Rheometer, molecular weight and radius of gyration by light scattering, and changes in surface morphology by scanning electron microscopy. GSG had the highest apparent viscosity at a treatment temperature of 30 °C; further increase in temperature led to decrease in apparent viscosity. The apparent viscosity of GSG can be efficiently improved at room temperature and low pressure. The process of pressure cell treatment of GSG in semi-solid state could be industrialized for enhancement of rheological properties of galactomannan gum.

  20. 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...

  1. Influence of axial coordination on the photophysical property of excited state of zinc porphyrin

    Institute of Scientific and Technical Information of China (English)

    FENG; Juan; (冯娟); ZHANG; Huijuan; (张慧娟); XIANG; Junfeng; (向俊峰); AI; Xicheng; (艾希成); ZHANG; Xingkang; (张兴康); XU; Guangzhi; (徐广智); ZHANG; Jianping; (张建平)

    2003-01-01

    The effect of axial ligand 4-N,N-dimethyl aminopyridine (DMAP) on the fluorescence property of the second singlet excited state (S2) and first singlet excited state (S1) of 5,10,15, 20-tetra(p-methoxyl)phenyl zinc porphyrin has been investigated using steady-state absorption, fluorescence spectroscopy and picosecond time-resolved fluorescence spectroscopy. Hot fluorescence is clearly observed and is then reasonably assigned to the higher vibronic level from S1 state. A further analysis of fluorescence kinetics results shows that the coordination of DMAP to the zinc ion results in a decrease of hot fluorescence lifetime and an increase of the relative content of hot fluorescence. Similar phenomenon was observed with respects to S1 fluorescence upon the addition of DMAP in toluene. For a complete understanding of such an effect, a possible mechanism has been put forward and discussed in detail.

  2. 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...

  3. Extremal properties of conditional entropy and quantum discord for XXZ, symmetric quantum states

    Science.gov (United States)

    Yurischev, M. A.

    2017-10-01

    For the XXZ subclass of symmetric two-qubit X states, we study the behavior of quantum conditional entropy S_{cond} as a function of measurement angle θ \\in [0,π /2]. Numerical calculations show that the function S_{cond}(θ ) for X states can have at most one local extremum in the open interval from zero to π /2 (unimodality property). If the extremum is a minimum, the quantum discord displays region with variable (state-dependent) optimal measurement angle θ ^*. Such θ -regions (phases, fractions) are very tiny in the space of X-state parameters. We also discover the cases when the conditional entropy has a local maximum inside the interval (0,π /2). It is remarkable that the maxima exist in surprisingly wide regions, and the boundaries for such regions are defined by the same bifurcation conditions as for those with a minimum.

  4. State-specific transport properties of partially ionized flows of electronically excited atomic gases

    Science.gov (United States)

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

    2017-03-01

    State-to-state approach for theoretical study of transport properties in atomic gases with excited electronic degrees of freedom of both neutral and ionized species is developed. The dependence of atomic radius on the electronic configuration of excited atoms is taken into account in the transport algorithm. Different cutoff criteria for increasing atomic radius are discussed and the limits of applicability for these criteria are evaluated. The validity of a Slater-like model for the calculation of state-resolved transport coefficients in neutral and ionized atomic gases is shown. For ionized flows, a method of evaluation for effective cross-sections of resonant charge-transfer collisions is suggested. Accurate kinetic theory algorithms for modelling the state-specific transport properties are applied for the prediction of transport coefficients in shock heated flows. Based on the numerical observations, different distributions over electronic states behind the shock front are considered. For the Boltzmann-like distributions at temperatures greater than 14,000 K, an important effect of electronic excitation on the partial thermal conductivity and viscosity coefficients is found for both neutral and ionized atomic gases: increasing radius of excited atoms causes a strong decrease in these transport coefficients. Similarly, the presence of electronically excited states with increased atomic radii leads to reduced diffusion coefficients. Nevertheless the overall impact of increasing effective cross-sections on the transport properties just behind the shock front under hypersonic reentry conditions is found to be minor since the populations of high-lying electronic energy levels behind the shock waves are low.

  5. An equation of state for property prediction of alcohol-hydrocarbon and water-hydrocarbon systems

    Energy Technology Data Exchange (ETDEWEB)

    Pires, Adolfo P. [Laboratory of Petroleum Engineering and Exploration, Universidade Estadual do Norte Fluminense-UENF, RJ Macae (Brazil); Mohamed, Rahoma S. [Process Engineering Laboratory, School of Chemical Engineering, Universidade Estadual de Campinas, Unicamp, Caixa Postal 6066, 13083-970 SP Campinas (Brazil); Ali Mansoori, G. [Department of Chemical Engineering, University of Illinois at Chicago, 810 S. Clinton Street, 60607-7000 Chicago, IL (United States)

    2001-12-29

    Equations of state have been widely used in the petroleum and chemical industries for thermodynamic property calculation. In the presence of polar substances that self-associate through hydrogen bonding (such as water or alcohol), equations of state are of very limited use. One way to account for the association is to consider the equation of state to be formed of two contributions: physical and chemical. In this work, we develop an equation of state consisting of two terms as proposed by Andreko [Fluid Phase Equilib. 65 (1991) 89], a chemical and a physical term, for correlation of thermodynamic properties of mixtures containing an associating species. This equation of state is used to correlate vapor pressure data for a number of associating molecules, such as alcohol and water, as well as bubble point pressure data for binary water-hydrocarbon and alcohol-hydrocarbon systems. The results obtained are in good agreement with the experimental data and requiring the use of only one adjustable parameter for each binary system.

  6. The effects of disorder on the normal state and superconducting properties of Nb3Sn

    Science.gov (United States)

    Mentink, M. G. T.; Dhalle, M. M. J.; Dietderich, D. R.; Godeke, A.; Hellman, F.; ten Kate, H. H. J.

    2017-02-01

    The effect of disorder on the normal state resistivity and the superconducting properties of Nb{}3Sn is explored in a combination of ab initio calculations and microscopic theory. The crystal symmetry is calculated to be preferentially tetragonal at a normal state resistivity below 27.0 ± 1.4 μ {{Ω }}{cm}, and preferentially cubic above this value, which is shown to be consistent with the experimentally observed transition point. The phonon density of states, the Eliashberg spectrum {α }2(ω )F(ω ), the electron-phonon coupling constant, the characteristic frequency, the critical temperature T c, and the upper critical magnetic field at 0 K {H}{{c}2}(0) are calculated over a large normal state resistivity range and shown to be consistent with experimental observations. The high degree of consistency between the calculation results and experimental observations is a strong indication that the calculation approach utilized here, a combination of ab initio calculations and microscopic theory, is a useful tool for understanding the superconducting and normal state properties of Nb{}3Sn.

  7. A new type of photon-added squeezed coherent state and its statistical properties

    Institute of Scientific and Technical Information of China (English)

    Zhou Jun; Fan Hong-Yi; Song Jun

    2012-01-01

    We construct a new type of photon-added squeezed coherent state generated by repeatedly operating the bosonic creation operator on a new type of squeezed coherent state [Fan H Y and Xiao M 1996 Phys.Lett.A 220 81].We find that its normalization factor is related to single-variable Hermite polynomials.Furthermore,we investigate its statistical properties,such as Mandel's Q parameter,photon-number distribution,and Wigner function.The nonclassicality is displayed in terms of the intense oscillation of photon-number distribution and the negativity of the Wigner function.

  8. Ground State Properties of Superheavy Nuclei in Macroscopic-Microscopic Model

    Institute of Scientific and Technical Information of China (English)

    ZHI Qi-Jun; REN Zhong-Zhou; ZHANG Xiao-Ping; ZHENG Qiang

    2008-01-01

    The ground state properties of superheavy nuclei are systematically calculated by the macroscopic-microscopic (MM) model with the Nilsson potential The calculations well produced the ground state binding energies,a-decay energies,and half lives of superheavy nuclei.The calculated results are systematically compared with available experimental data.The calculated results are also compared with theoretical results from other MM models and from relativistic mean-field model.The calculations and comparisons show that the MM model is reliable in superheavy region and that the MM model results are not very sensitive to the choice of microscopic single-particle potential.

  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. Aerosol optical properties and mixing state of black carbon in the Pearl River Delta, China

    Science.gov (United States)

    Tan, Haobo; Liu, Li; Fan, Shaojia; Li, Fei; Yin, Yan; Cai, Mingfu; Chan, P. W.

    2016-04-01

    Aerosols contribute the largest uncertainty to the total radiative forcing estimate, and black carbon (BC) that absorbs solar radiation plays an important role in the Earth's energy budget. This study analysed the aerosol optical properties from 22 February to 18 March 2014 at the China Meteorological Administration Atmospheric Watch Network (CAWNET) station in the Pearl River Delta (PRD), China. The representative values of dry-state particle scattering coefficient (σsp), hemispheric backscattering coefficient (σhbsp), absorption coefficient (σabsp), extinction coefficient (σep), hemispheric backscattering fraction (HBF), single scattering albedo (SSA), as well as scattering Ångström exponent (α) were presented. A comparison between a polluted day and a clean day shows that the aerosol optical properties depend on particle number size distribution, weather conditions and evolution of the mixing layer. To investigate the mixing state of BC at the surface, an optical closure study of HBF between measurements and calculations based on a modified Mie model was employed for dry particles. The result shows that the mixing state of BC might be between the external mixture and the core-shell mixture. The average retrieved ratio of the externally mixed BC to the total BC mass concentration (rext-BC) was 0.58 ± 0.12, and the diurnal pattern of rext-BC can be found. Furthermore, considering that non-light-absorbing particles measured by a Volatility-Tandem Differential Mobility Analyser (V-TDMA) exist independently with core-shell and homogenously internally mixed BC particles, the calculated optical properties were just slightly different from those based on the assumption that BC exist in each particle. This would help understand the influence of the BC mixing state on aerosol optical properties and radiation budget in the PRD.

  11. Normal state electronic properties of LaO1-x Fx BiS2 superconductors

    Science.gov (United States)

    Querales-Flores, J. D.; Ventura, C. I.; Citro, R.; Rodríguez-Núñez, J. J.

    2016-05-01

    A good description of the electronic structure of BiS2-based superconductors is essential to understand their phase diagram, normal state and superconducting properties. To describe the first reports of normal state electronic structure features from angle resolved photoemission spectroscopy (ARPES) in LaO1-x Fx BiS2, we used a minimal microscopic model to study their low energy properties. It includes the two effective tight-binding bands proposed by Usui et al., Phys. Rev. B, 86, 2012, 220501(R), and we added moderate intra- and inter-orbital electron correlations related to Bi-(pY, pX) and S-(pY, pX) orbitals. We calculated the electron Green's functions using their equations of motion, which we decoupled in second-order of perturbations on the correlations. We determined the normal state spectral density function and total density of states for LaO1-x Fx BiS2, focusing on the description of the k-dependence, effect of doping, and the prediction of the temperature dependence of spectral properties. Including moderate electron correlations, improves the description of the few experimental ARPES and soft X-ray photoemission data available for LaO1-x Fx BiS2. Our analytical approximation enabled us to calculate the spectral density around the conduction band minimum at k→0 =(0.45 π , 0.45 π), and to predict the temperature dependence of the spectral properties at different BZ points, which might be verified by temperature-dependent ARPES.

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

    OpenAIRE

    Zuber, A; R. F. Checoni; M. Castier

    2015-01-01

    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 comprise...

  13. New strain states and radical property tuning of metal oxides using a nanocomposite thin film approach

    Directory of Open Access Journals (Sweden)

    Judith MacManus-Driscoll

    2015-06-01

    Full Text Available Auxetic-like strain states were generated in self-assembled nanocomposite thin films of (Ba0.6Sr0.4TiO31−x − (Sm2O3x(BSTO − SmO. A switch from auxetic-like to elastic-like strain behavior was observed for x > 0.50, when the SmO switched from being nanopillars in the BSTO matrix to being the matrix with BSTO nanopillars embedded in it. A simple model was adopted to explain how in-plane strain varies with x. At high x (0.75, strongly enhanced ferroelectric properties were obtained compared to pure BSTO films. The nanocomposite method represents a powerful new way to tune the properties of a wide range of strongly correlated metal oxides whose properties are very sensitive to strain.

  14. Effect of nanofillers on the properties of a state of the art epoxy gelcoat

    Directory of Open Access Journals (Sweden)

    2011-03-01

    Full Text Available In this work, the effect of the inclusion of electrically conductive and non-conductive nanofillers in a state of the art epoxy gelcoat was studied. The conductive fillers used were multi-wall carbon nanotubes and exfoliated nanographite. The non-conductive ones were nanoclay and nano-titanium dioxide. The content of the nanofillers was 0.65% per weight and their inclusion took place using high shear mixing devices. The conductive fillers showed an increase in tensile and fracture properties, as well as in the thermal properties whereas the non-conductive fillers did not show any improvement on the fracture properties. The glass transition temperature was practically unaffected by the presence of the nanofillers while conversly, the coefficient of thermal expansion was decreased for all the nanofillers for temperatures above the glass transition temperature. Finally, weatherometer tests showed that the nanofillers contribute into less weight losses in comparison with the reference epoxy gelcoat.

  15. Sulfide Solid Electrolyte with Favorable Mechanical Property for All-Solid-State Lithium Battery

    Science.gov (United States)

    Sakuda, Atsushi; Hayashi, Akitoshi; Tatsumisago, Masahiro

    2013-01-01

    All-solid-state secondary batteries that employ inorganic solid electrolytes are desirable because they are potentially safer than conventional batteries. The ionic conductivities of solid electrolytes are currently attracting great attention. In addition to the conductivity, the mechanical properties of solid electrolytes are important for improving the energy density and cycle performance. However, the mechanical properties of sulfide electrolytes have not been clarified in detail. Here, we demonstrate the unique mechanical properties of sulfide electrolytes. Sulfide electrolytes show room temperature pressure sintering. Ionic materials with low bond energies and a highly covalent character, which is promising for achieving a high ionic conductivity, tend to be suitable for room-temperature processing. The Young's moduli of sulfide electrolytes were measured to be about 20 GPa, which is an intermediate value between those of typical oxides and organic polymers. PMID:23877241

  16. Bending crystals. Solid state photomechanical properties of transition metal complexes containing semiquinonate ligands

    Indian Academy of Sciences (India)

    Cortlandt G Pierpont

    2002-08-01

    The properties of transition metal complexes containing catecholate and radical semiquinonate ligands have often been found to be unusual and unexpected. Crystals of Rh(CO)2(3,6-DBSQ), containing the 3,6-di-tert-butyl-1,2-semiquinonate ligand, form as long thin needles that are observed to bend reversibly upon irradiation with NIR light. Crystallographic characterization reveals a stacked solid state lattice with planar molecules aligned with metal atoms atop one another. Electronic spectra recorded in the solid state and in solution show an intense band at 1600 nm that maps the energy dependence of crystal bend angle. The transition is a property of the stacked assembly, rather than of an individual complex molecule, and appears associated with an MLCT process that transfers charge from an antibonding band formed by interacting Rh $d_{z}^{2}$ orbitals to the vacant quinone * orbital. Related observations have been made on the [Co(-pyz)(3,6-DBSQ)(3,6-DBCat)] polymer. Photomechanical properties appear associated with electronic transitions that lead to a physical change in axial length of a linear polymer, coupled with a soft solid state lattice that permits axial contraction/expansion without crystal fracture.

  17. Emergence of equilibrium thermodynamic properties in quantum pure states. I. Theory.

    Science.gov (United States)

    Fresch, Barbara; Moro, Giorgio J

    2010-07-21

    Investigation on foundational aspects of quantum statistical mechanics recently entered a renaissance period due to novel intuitions from quantum information theory and to increasing attention on the dynamical aspects of single quantum systems. In the present contribution a simple but effective theoretical framework is introduced to clarify the connections between a purely mechanical description and the thermodynamic characterization of the equilibrium state of an isolated quantum system. A salient feature of our approach is the very transparent distinction between the statistical aspects and the dynamical aspects in the description of isolated quantum systems. Like in the classical statistical mechanics, the equilibrium distribution of any property is identified on the basis of the time evolution of the considered system. As a consequence equilibrium properties of quantum system appear to depend on the details of the initial state due to the abundance of constants of the motion in the Schrodinger dynamics. On the other hand the study of the probability distributions of some functions, such as the entropy or the equilibrium state of a subsystem, in statistical ensembles of pure states reveals the crucial role of typicality as the bridge between macroscopic thermodynamics and microscopic quantum dynamics. We shall consider two particular ensembles: the random pure state ensemble and the fixed expectation energy ensemble. The relation between the introduced ensembles, the properties of a given isolated system, and the standard quantum statistical description are discussed throughout the presentation. Finally we point out the conditions which should be satisfied by an ensemble in order to get meaningful thermodynamical characterization of an isolated quantum system.

  18. Coupling between crystal field transitions and phonons in the 4f-electron system CeCu 2

    Science.gov (United States)

    Schedler, R.; Witte, U.; Loewenhaupt, M.; Kulda, J.

    2003-07-01

    In general, elementary excitations like phonons and crystal field (CF) transitions are considered decoupled and the determination and interpretation of the measured spectra of both phenomena, i.e. the phonon dispersion relations and the CF level schemes are made independently of each other. A signature of a strong coupling between both phenomena is the observation of an unusual behaviour in both subsystems. In this paper, we present inelastic neutron scattering results on the rare earth compound CeCu 2. This substance shows a orthorhombic CeCu 2 structure with 18 phonon modes and a splitting of the J= {5}/{2} ground state multiplet of the Ce 3+ ions into 3 doublets. The assumption of a coupling between a CF transition connecting the two excited CF states and phonons was put forward from the results of inelastic neutron data on a polycrystalline sample. This assumption is now confirmed by inelastic neutron spectra on a single crystal showing unusual phonon energy shifts and line widths as well as a strong broadening of the CF excitations.

  19. 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.

  20. Ground state of the U2Mo compound: Physical properties of the Ω-phase

    Science.gov (United States)

    Losada, E. L.; Garcés, J. E.

    2016-10-01

    Using ab initio calculations, unexpected structural instability was recently found in the ground state of the U2 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 U2 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.

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

    Science.gov (United States)

    Owono Owono, L C; Ben Abdallah, D; Jaidane, N; Lakhdar, Z Ben

    2008-02-28

    Ab initio transition dipole moments between states of the triplet manifold of NH radical are determined at the complete active space self-consistent field, followed by the internally contracted multireference singles plus doubles configuration interaction level of theory with a modified aug-cc-pVTZ basis set that accounts for valence-Rydberg interactions. This enables the computation of various radiative characteristics such as Einstein coefficients, radiative lifetimes, and oscillator strengths. These properties concern as well valence and Rydberg states. For the valence states, only the (0, 0) band of the A 3 Pi-X 3 Sigma(-) transition has received some important amount of attention. Data for the other transitions are rather scarce and sometimes inexistent. The results obtained in this work show good agreement with the available experimental data in comparison to other theoretical numbers reported in the literature.

  2. 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.

  3. Application of supersymmetric quantum mechanics to study bound state properties of exotic hypernuclei

    CERN Document Server

    Khan, Md Abdul

    2015-01-01

    Bound state properties of few single and double-$\\Lambda$ hypernuclei is critically examined in the framework of core-$\\Lambda$ and core+$\\Lambda+\\Lambda$ few-body model applying hyperspherical harmonics expansion method (HHEM). The $\\Lambda\\Lambda$ potential is chosen phenomenologically while the core-$\\Lambda$ potential is obtained by folding a phenomenological $\\Lambda N$ interaction into the density distribution of the core. The depth of the effective $\\Lambda N$ potential is adjusted to reproduce the experimental data for the core-$\\Lambda$ subsystem. The three-body Schr\\"odinger equation is solved by hyperspherical adiabatic approximation (HAA) to get the ground state energy and wave function. The ground state wavefunction is used to construct the supersymmetric partner potential following prescription of supersymmetric quantum mechanics (SSQM) algebra. The newly constructed supersymmetric partner potential is used to solve the three-body Schr\\"odinger equation to get the energy and wavefunction for the...

  4. Ground State Properties of the 1/2 Flux Harper Hamiltonian

    Science.gov (United States)

    Kennedy, Colin; Burton, William Cody; Chung, Woo Chang; Ketterle, Wolfgang

    2015-05-01

    The Harper Hamiltonian describes the motion of charged particles in an applied magnetic field - the spectrum of which exhibits the famed Hofstadter's butterfly. Recent advances in driven optical lattices have made great strides in simulating nontrivial Hamiltonians, such as the Harper model, in the time-averaged sense. We report on the realization of the ground state of bosons in the Harper Hamiltonian for 1/2 flux per plaquette utilizing a tilted two-dimensional lattice with laser assisted tunneling. We detail progress in studying various ground state properties of the 1/2 flux Harper Hamiltonian including ground state degeneracies, gauge-dependent observables, effects of micromotion, adiabatic loading schemes, and emergence and decay of coherence. Additionally, we describe prospects for flux rectification using a period-tripled superlattice and generalizations to three dimensions. MIT-Harvard Center for Ultracold Atoms, Research Laboratory of Electronics, Department of Physics, Massachusetts Institute of Technology.

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

    Energy Technology Data Exchange (ETDEWEB)

    Isaak, J., E-mail: j.isaak@gsi.de [ExtreMe Matter Institute EMMI and Research Division, GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Frankfurt Institute for Advanced Studies FIAS, 60438 Frankfurt (Germany); Savran, D. [ExtreMe Matter Institute EMMI and Research Division, GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Frankfurt Institute for Advanced Studies FIAS, 60438 Frankfurt (Germany); Krtička, M. [Faculty of Mathematics and Physics, Charles University, Prague 8 (Czech Republic); Ahmed, M.W. [Department of Mathematics and Physics, North Carolina Central University, Durham, NC 27707 (United States); Department of Physics, Duke University, Durham, NC 27708 (United States); Triangle Universities Nuclear Laboratory, Durham, NC 27708 (United States); Beller, J. [Institut für Kernphysik, Technische Universität Darmstadt, 64289 Darmstadt (Germany); Fiori, E. [ExtreMe Matter Institute EMMI and Research Division, GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Frankfurt Institute for Advanced Studies FIAS, 60438 Frankfurt (Germany); Glorius, J. [Institut für Angewandte Physik, Goethe-Universität Frankfurt, 60438 Frankfurt (Germany); Kelley, J.H. [Department of Physics, North Carolina State University, Raleigh, NC 27695 (United States); Triangle Universities Nuclear Laboratory, Durham, NC 27708 (United States); Löher, B. [ExtreMe Matter Institute EMMI and Research Division, GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Frankfurt Institute for Advanced Studies FIAS, 60438 Frankfurt (Germany); and others

    2013-12-18

    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{sup →}-Ray Source have been performed to investigate the decay properties of {sup 130}Te 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.

  6. Direct measurement of non-linear properties of bipartite quantum states

    CERN Document Server

    Bovino, F A; Castagnoli, G C; Ekert, A; Horodecki, P; Sergienko, A V; Alves, Carolina Moura; Bovino, Fabio Antonio; Castagnoli, Giuseppe; Ekert, Artur; Horodecki, Pawel; Sergienko, Alexander Vladimir

    2005-01-01

    Non-linear 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 parameters that specify the state. Here we extract a non-local and a non-linear quantity, namely the Renyi entropy, from local measurements on two pairs of polarization entangled photons. We also introduce a "phase marking" technique which allows to select uncorrupted outcomes even with non-deterministic sources of entangled photons. We use our experimental data to demonstrate the violation of entropic inequalities. They are examples of a non-linear entanglement witnesses and their power exceeds all linear tests for quantum entanglement based on all possible Bell-CHSH inequalities.

  7. Atomic bound state and scattering properties of effective momentum-dependent potentials

    Science.gov (United States)

    Dharuman, Gautham; Verboncoeur, John; Christlieb, Andrew; Murillo, Michael S.

    2016-10-01

    Effective classical dynamics provide a potentially powerful avenue for modeling large-scale dynamical quantum systems. We have examined the accuracy of a Hamiltonian-based approach that employs effective momentum-dependent potentials (MDPs) within a molecular-dynamics framework through studies of atomic ground states, excited states, ionization energies, and scattering properties of continuum states. Working exclusively with the Kirschbaum-Wilets (KW) formulation with empirical MDPs [C. L. Kirschbaum and L. Wilets, Phys. Rev. A 21, 834 (1980), 10.1103/PhysRevA.21.834], optimization leads to very accurate ground-state energies for several elements (e.g., N, F, Ne, Al, S, Ar, and Ca) relative to Hartree-Fock values. The KW MDP parameters obtained are found to be correlated, thereby revealing some degree of transferability in the empirically determined parameters. We have studied excited-state orbits of electron-ion pair to analyze the consequences of the MDP on the classical Coulomb catastrophe. From the optimized ground-state energies, we find that the experimental first- and second-ionization energies are fairly well predicted. Finally, electron-ion scattering was examined by comparing the predicted momentum transfer cross section to a semiclassical phase-shift calculation; optimizing the MDP parameters for the scattering process yielded rather poor results, suggesting a limitation of the use of the KW MDPs for plasmas.

  8. 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.

  9. Reference Equations of State for the Thermodynamic Properties of Fluid Phase n-Butane and Isobutane

    Science.gov (United States)

    Bücker, D.; Wagner, W.

    2006-06-01

    New formulations for the thermodynamic properties of fluid phase n-butane and isobutane in the form of fundamental equations explicit in the Helmholtz energy are presented. The functional form of the correlation equations for the residual parts was developed simultaneously for both substances considering data for the thermodynamic properties of ethane, propane, n-butane, and isobutane. Each contains 25 coefficients which were fitted to selected data for the thermal and caloric properties of the respective fluid both in the single-phase region and on the vapor-liquid phase boundary. This work provides information on the available experimental data for the thermodynamic properties of n- and isobutane, and presents all details of the new formulations. The new equations of state describe the pρT surfaces with uncertainties in density of 0.02% (coverage factor k=2 corresponding to a confidence level of about 95%) from the melting line up to temperatures of 340 K and pressures of 12 MPa. The available reliable data sets in other regions are represented within their experimental uncertainties. The primary data, to which the equation for n-butane was fitted, cover the fluid region from the melting line to temperatures of 575 K and pressures of 69 MPa. The equation for isobutane was fitted to primary data that cover the fluid region from the melting line to temperatures of 575 K and pressures of 35 MPa. Beyond the range described by experimental data, the equations yield reasonable extrapolation behavior up to very high temperatures and pressures. In addition to the equations of state, independent equations for the vapor pressures, the saturated-liquid and saturated-vapor densities, and the melting pressures are given. Tables of thermodynamic properties calculated from the new formulations are listed in Appendix 2. Additionally, a preliminary equation of state for propane is presented that was developed in the course of the simultaneous optimization. This equation has the

  10. A corresponding-states analysis of the liquid-vapor equilibrium properties of common water models

    Science.gov (United States)

    Fugel, Malte; Weiss, Volker C.

    2017-02-01

    Many atomistic potential models have been proposed to reproduce the properties of real water and to capture as many of its anomalies as possible. The large number of different models indicates that this task is by no means an easy one. Some models are reasonably successful for various properties, while others are designed to account for only a very few specific features of water accurately. Among the most popular models are SPC/E, TIP4P, TIP4P/2005, TIP4P/Ice, and TIP5P-E. Here, we report the equilibrium properties of the liquid-vapor coexistence, such as the densities of the liquid phase and the vapor phase, the interfacial tension between them, and the vapor pressure at saturation. From these data, the critical parameters are determined and subsequently used to cast the liquid-vapor coexistence properties into a corresponding-states form following Guggenheim's suggestions. Doing so reveals that the three TIP4P-based models display the same corresponding-states behavior and that the SPC/E model behaves quite similarly. Only the TIP5P-E model shows clear deviations from the corresponding-states properties of the other models. A comparison with data for real water shows that the reduced surface tension is well described, while the reduced coexistence curve is too wide. The models underestimate the critical compressibility factor and overestimate Guggenheim's ratio as well as the reduced boiling temperature (Guldberg's ratio). As demonstrated by the collapse of the data for the TIP4P-based models, these deviations are inherent to the specific model and cannot be corrected by a simple reparametrization. For comparison, the results for two recent polarizable models, HBP and BK3, are shown, and both models are seen to perform well in terms of absolute numbers and in a corresponding-states framework. The kind of analysis applied here can therefore be used as a guideline in the design of more accurate and yet simple multi-purpose models of water.

  11. A corresponding-states analysis of the liquid-vapor equilibrium properties of common water models.

    Science.gov (United States)

    Fugel, Malte; Weiss, Volker C

    2017-02-14

    Many atomistic potential models have been proposed to reproduce the properties of real water and to capture as many of its anomalies as possible. The large number of different models indicates that this task is by no means an easy one. Some models are reasonably successful for various properties, while others are designed to account for only a very few specific features of water accurately. Among the most popular models are SPC/E, TIP4P, TIP4P/2005, TIP4P/Ice, and TIP5P-E. Here, we report the equilibrium properties of the liquid-vapor coexistence, such as the densities of the liquid phase and the vapor phase, the interfacial tension between them, and the vapor pressure at saturation. From these data, the critical parameters are determined and subsequently used to cast the liquid-vapor coexistence properties into a corresponding-states form following Guggenheim's suggestions. Doing so reveals that the three TIP4P-based models display the same corresponding-states behavior and that the SPC/E model behaves quite similarly. Only the TIP5P-E model shows clear deviations from the corresponding-states properties of the other models. A comparison with data for real water shows that the reduced surface tension is well described, while the reduced coexistence curve is too wide. The models underestimate the critical compressibility factor and overestimate Guggenheim's ratio as well as the reduced boiling temperature (Guldberg's ratio). As demonstrated by the collapse of the data for the TIP4P-based models, these deviations are inherent to the specific model and cannot be corrected by a simple reparametrization. For comparison, the results for two recent polarizable models, HBP and BK3, are shown, and both models are seen to perform well in terms of absolute numbers and in a corresponding-states framework. The kind of analysis applied here can therefore be used as a guideline in the design of more accurate and yet simple multi-purpose models of water.

  12. 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.

  13. Ionic permeability and mechanical properties of DNA origami nanoplates on solid-state nanopores.

    Science.gov (United States)

    Plesa, Calin; Ananth, Adithya N; Linko, Veikko; Gülcher, Coen; Katan, Allard J; Dietz, Hendrik; Dekker, Cees

    2014-01-28

    While DNA origami is a popular and versatile platform, its structural properties are still poorly understood. In this study we use solid-state nanopores to investigate the ionic permeability and mechanical properties of DNA origami nanoplates. DNA origami nanoplates of various designs are docked onto solid-state nanopores where we subsequently measure their ionic conductance. The ionic permeability is found to be high for all origami nanoplates. We observe the conductance of docked nanoplates, relative to the bare nanopore conductance, to increase as a function of pore diameter, as well as to increase upon lowering the ionic strength. The honeycomb lattice nanoplate is found to have slightly better overall performance over other plate designs. After docking, we often observe spontaneous discrete jumps in the current, a process which can be attributed to mechanical buckling. All nanoplates show a nonlinear current-voltage dependence with a lower conductance at higher applied voltages, which we attribute to a physical bending deformation of the nanoplates under the applied force. At sufficiently high voltage (force), the nanoplates are strongly deformed and can be pulled through the nanopore. These data show that DNA origami nanoplates are typically very permeable to ions and exhibit a number of unexpected mechanical properties, which are interesting in their own right, but also need to be considered in the future design of DNA origami nanostructures.

  14. Ab initio quantum Monte Carlo calculations of ground-state properties of manganese's oxides

    Science.gov (United States)

    Sharma, Vinit; Krogel, Jaron T.; Kent, P. R. C.; Reboredo, Fernando A.

    One of the critical scientific challenges of contemporary research is to obtain an accurate theoretical description of the electronic properties of strongly correlated systems such as transition metal oxides and rare-earth compounds, since state-of-art ab-initio methods based on approximate density functionals are not always sufficiently accurate. Quantum Monte Carlo (QMC) methods, which use statistical sampling to evaluate many-body wave functions, have the potential to answer this challenge. Owing to the few fundamental approximations made and the direct treatment of electron correlation, QMC methods are among the most accurate electronic structure methods available to date. We assess the accuracy of the diffusion Monte Carlo method in the case of rocksalt manganese oxide (MnO). We study the electronic properties of this strongly-correlated oxide, which has been identified as a suitable candidate for many applications ranging from catalysts to electronic devices. ``This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.'' Ab initio quantum Monte Carlo calculations of ground-state properties of manganese's oxides.

  15. Scope Logic with Local Reasoning and Pre/Post-State Properties

    CERN Document Server

    Zhao, Jianhua

    2010-01-01

    This paper presents an extension to Hoare logic for pointer program verification. Logic formulas with user-defined recursive functions are used to specify properties on the program states before/after program executions. Three basic functions are introduced to represents memory access, record-field access and array-element access. Some axioms are introduced to specify these basic functions in our logic. The concept Memory Scope Function (MSF) is introduced in our logic. Given a recursive function $f$, the MSF of $f$ computes the set of memory units accessed during the evaluation of $f$. A set of rules are given to derive the definition of this MSF syntactically from the definition of $f$. As MSFs are also recursive functions, they also have their MSFs. An axiom is given to specify that an MSF contains its MSF. Based on this axiom, local reasoning is supported with predicate variables. Pre-state terms are used to specify the relations between pre-states and post-states. People can use pre-state terms in post-c...

  16. The mass spectra and decay properties of dimesonic states, using the Hellmann potential

    CERN Document Server

    Rai, Ajay Kumar

    2015-01-01

    Mass spectra of the dimesonic (meson - antimeson) molecular states are computed using the Hellmann potential in variational approach, which consists of relativistic correction to kinetic energy term as well as to the potential energy term. To the study of molecular bound state system, the Hellmann potential of the form $V(r)=-\\frac{\\alpha_{s}}{r} + \\frac{B e^{-Cr}}{r}$ is being used. The one pion exchange potential (OPEP) is also incorporated in the mass calculation. The digamma decay width and decay width of the dimesonic system are evaluated using the wave function. The experimental states such as $f_{0}(980)$, $b_{1}(1235)$, $h_{1}(1380)$, $a_{0}(1450)$, $f_{0}(1500)$, $f_{2}'(1525)$, $f_{2}(15 65)$, $f_{1}(1595)$, $a_{2}(1700)$, $f_{0}(1710)$, $f_{2}(1810)$ are compared with dimesonic states. Many of these states (mass- es and their decay properties) are close to our theoretical predictions.

  17. Properties of Edge States at the Graphene P-N Junction Interface

    Science.gov (United States)

    Le, Son; Klimov, Nikolai; Newell, David; Yan, Jun; Lee, Ji Ung; Richter, Curt

    The Landau level edge states from the p- and the n-section of a graphene P/N junction (pnJ) interact with each other differently across the junction depending upon the properties of the junction and the graphene. Full equilibration was reported for a two terminal graphene pnJ device in Williams et al.. In our four-terminal device, however, only the lowest Landau level edge state is equilibrated across the pnJ. When the two devices are compared, the LL energy spacings, the length of the edge states along the pnJ interface, and the carrier mobility are similar. Electrostatic simulations for our device geometry and that of contrast the rate of change of the electrostatic potential across the pnJs. Edge states at an electrostatically smooth junction are spatially further apart than those at a relatively abrupt junction, which decreases the probability of edge states mixing. Thus, we attribute the difference in equilibration in our device and that of to the dramatic difference in the shape of the electrostatic junction.

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

    Energy Technology Data Exchange (ETDEWEB)

    Haffane, N.; Benameur, T.; Granger, R.; Vergnaud, J.M. [Faculty of Sciences, University of St Etienne (France)

    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} {ital 1996 American Institute of Physics.}

  19. Changes of storm properties in the United States: Observations and multimodel ensemble projections

    Science.gov (United States)

    Jiang, Peng; Yu, Zhongbo; Gautam, Mahesh R.; Yuan, Feifei; Acharya, Kumud

    2016-07-01

    Changes in climate are likely to induce changes in precipitation characteristics including intensity, frequency, duration and patterns of events. In this paper, we evaluate the performance of multiple regional climate models (RCMs) in the North American Regional Climate Change Assessment Program (NARCCAP) to simulate storm properties including storm duration, inter-storm period, storm intensity, and within-storm patterns at eight locations in the continental US. We also investigate the future projections of them based on precipitation from NARCCAP historic runs and future runs. Results illustrate that NARCCAP RCMs are consistent with observed precipitation in the seasonal variation of storm duration and inter-storm period, but fail to simulate the magnitude. The ability to simulate the seasonal trend of average storm intensity varies among locations. Within-storm patterns from RCMs exhibit greater variability than from observed records. Comparisons between RCM-historic simulations and RCM projections indicate that there is a large variation in the future changes in storm properties. However, multi-model ensembles of the storm properties suggest that most regions of the United States will experience future changes in storm properties that includes shorter storm duration, longer inter-storm period, and larger average storm intensity.

  20. PRINCIPLES OF INTERNATIONAL LAW IN CONJUNCTION TO THE RECOGNITION, RESTITUTION AND COMPENSATION OF PROPERTY IN DIFFERENT STATES

    OpenAIRE

    Braho, Hemion; Hada, Jonlinda

    2015-01-01

    Historically, property has been the foundation of the existence of human society and of states at all times. The “Rule of Law” in every democratic state guarantees and protects property. In a chronological period of time, how has the Albanian legal systems guaranteed private property? After the change of dictatorial system caused by the democratic developments during the 90’ which happened in all the East Europe, the democratic state although  it wasn’t responsible for the past injustice, too...

  1. PRINCIPLES OF INTERNATIONAL LAW IN CONJUNCTION TO THE RECOGNITION, RESTITUTION AND COMPENSATION OF PROPERTY IN DIFFERENT STATES

    OpenAIRE

    Braho, Hemion; Hada, Jonlinda

    2016-01-01

    Historically, property has been the foundation of the existence of human society and of states at all times. The “Rule of Law” in every democratic state guarantees and protects property. In a chronological period of time, how has the Albanian legal systems guaranteed private property? After the change of dictatorial system caused by the democratic developments during the 90’ which happened in all the East Europe, the democratic state although  it wasn’t responsible for the past injustice, too...

  2. Equation of state and transport properties of silicates under extreme conditions

    Science.gov (United States)

    Qi, T.; Hamel, S.

    2014-12-01

    Understanding the physical properties of silicates under high temperature and pressure is fundamental to an accurate description of planetary interiors and evolution models. For example, earth's mantle is a rocky silicate shell constituting about 84% of Earth's volume. Possible chemical compositions include SiO2 and some other silicates such as MgSiO3 and CaSiO3. Moreover, Moon forming scenarios often invoke giant impacts between silicate-rich objects.Similarly, the existence of a rocky core or mantle with silicate as the major component is frequently assumed in models of giant planets, such as Jupiter or Saturn and Uranus and Neptune.Consequently, constructing planetary interior and evolution models requires knowledge of silicate's equation of state and its optical and transport properties at high pressures and temperatures.

  3. Tailoring the physical properties of homopolymers and polymer nanocomposites via solid-state processing

    Science.gov (United States)

    Pierre, Cynthia

    Numerous approaches can be used to modify polymer properties. In this thesis, it is demonstrated that an innovative, continuous, industrially scalable process called solid-state shear pulverization (SSSP) can be used to enhance polymer properties with and without the addition of nanofillers. The SSSP process employs a modified twin-screw extruder in which the barrel is cooled rather than heated, resulting in the polymer being processed at a temperature below its glass transition temperature, if the polymer is amorphous, or its melt transition temperature, if the polymer is semi-crystalline. The material processed via SSSP experiences high levels of shear and compressive stresses, resulting in many repeated fragmentation and fusion steps during pulverization, which can lead to mechanochemistry. This research provides the first in-depth study on the effect of SSSP processing on the molecular structure as well as physical properties of homopolymers. Rheological characterization has demonstrated an increase in the melt viscosity of pulverized poly(ethylene terephthalate) (PET), which can be ascribed to the in situ formation of lightly branched PET. Further evidence of branched PET is provided via a dramatic increase in the rate of crystallization of the pulverized samples. These results suggest that SSSP processing can enhance the reuse and recyclability of PET. While SSSP processing has dramatic effects on the structure of polyesters and consequently their properties, a mild effect is observed for polyolefins. This thesis also demonstrates via a combination of methods that the well-exfoliated state can be achieved via SSSP processing of various polymer nanocomposites, using as-received, unmodified fillers. For example, extensive comparisons are made concerning the thermal stability in air or nitrogen atmosphere of polypropylene (PP)/clay, PP/graphite, and PP/carbon nanotube (CNT) nanocomposites made by SSSP. These comparisons suggest that the mechanism by which CNTs

  4. 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

  5. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Serata, S. [Serata Geomechanics, Inc., Richmond, CA (United States); Oka, S.; Kikuchi, S. [JDC Corp., Tokyo (Japan)

    1996-04-01

    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.

  7. First principles calculations of the ground state properties and structural phase transformation in YN

    CERN Document Server

    Mancera, L; Takeuchi, N

    2003-01-01

    We have studied the structural and electronic properties of YN in rock salt (sodium chloride), caesium chloride, zinc blende and wurtzite structures using first-principles total energy calculations. Rock salt is the calculated ground state structure with a = 4.93 A, B sub 0 = 157 GPa. The experimental lattice constant is a = 4.877 A. There is an additional local minimum in the wurtzite structure with total energy 0.28 eV/unit cell higher. At high pressure (approx 138 GPa), our calculations predict a phase transformation from a NaCl to a CsCl structure.

  8. 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.

  9. Entropy and equilibrium property of QCD-instanton induced final state in deep-inelastic scattering

    Institute of Scientific and Technical Information of China (English)

    DENG Wei-Bing; LU Ding; ZHANG Ji-Ying; XU Ming-Mei; Boris Levchenko; LIU Lian-Shou

    2008-01-01

    The scaling and additivity properties of Rényi entropy in rapidity space of the instanton final state (IFS) and current jet identified by the r-sorting method from the QCDINS Monte Carlo event sample are to saturation with decreasing phase space scale. Furthermore, it is found that the additivity of H2 holds well for the IFS in narrow rapidity windows at different positions. These results indicate that the IFS produced in the instanton-induced process of deep inelastic scattering has reached local equilibrium.

  10. Nonsteady dynamic properties of a domain wall for the creep state under an alternating driving field

    Science.gov (United States)

    Zhou, N. J.; Zheng, B.

    2014-07-01

    With Monte Carlo simulations, the nonsteady dynamic properties of a domain wall have been systematically investigated for the thermally activated creep state under an alternating driving field. Taking the driven random-field Ising model in two dimensions as an example, two distinct growth stages of the domain interface are identified with both the correlation length and roughness function. One stage belongs to the universality class of the random depositions, and the other to that of the quenched Edwards-Wilkinson equation. In the latter case, due to the dynamic effect of overhangs, the domain interface may exhibit an intrinsic anomalous scaling behavior, different from that of the quenched Edwards-Wilkinson equation.

  11. Ground state properties of La isotopes in reflection asymmetric relativistic mean field theory

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The ground state properties of La isotopes are investigated with the reflection asymmetric relativistic mean field(RAS-RMF) model.The calculation results of binding energies and the quadrupole moments are in good agreements with the experiment.The calculation results indicate the change of the quadrupole deformation with the nuclear mass number.The "kink" on the isotope shifts is observed at A = 139 where the neutron number is the magic number N = 82.It is also found that the octupole deformations may exist in the La isotopes with mass number A ~ 145-155.

  12. Ground state properties of La isotopes in reflection asymmetric relativistic mean field theory

    Institute of Scientific and Technical Information of China (English)

    WANG Nan; GUO Lu

    2009-01-01

    The ground state properties of La isotopes are investigated with the reflection asymmetric relativistic mean field (RAS-RMF) model.The calculation results of binding energies and the quadrupole moments are in good agreements with the experiment.The calculation results indicate the change of the quadrupole deformation with the nuclear mass number.The "kink" on the isotope shifts is observed at A=139 where the neutron number is the magic number N=82.It is also found that the octupole deformations may exist in the La isotopes with mass number A~ 145-155.

  13. 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.

  14. Accurate spectroscopic calculations of 21 electronic states of ClO radical including transition properties

    Science.gov (United States)

    Wang, Xinxin; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2016-08-01

    The potential energy curves were calculated for the 21 states (X2Π, A2Π, 32Π, 42Π, 52Π, 12Σ+, 22Σ+, 32Σ+, 12Σ-, 22Σ-, 32Σ-, 12Δ, 22Δ, 32Δ, 12Φ, 14Σ+, a4Σ-, 24Σ-, 14Π, 24Π and 14Δ), which originated from the two lowest dissociation channels of ClO radical. The calculations were done for internuclear separations approximately from 0.08 to 1.10 nm using the CASSCF method, which was followed by the icMRCI approach with the aug-cc-pV5Z basis set. Of these 21 states, the 14Π, 24Π, 32Δ, 42Π, 52Π, 12Φ, 32Σ+, 14Δ and 24Σ- states are repulsive. The 12Δ, 12Σ-, 14Σ+, 22Σ-, 12Σ+, 22Σ+, 22Δ and 32Σ- states are very weakly bound. Only the A2Π state has one barrier. The avoided crossing exists between the A2Π and the 32Π state. However, the avoided crossing does not generate any double wells. Core- valence correlation correction was accounted for at the level of an aug-cc-pCVQZ basis set. Scalar relativistic correction was included by the third-order Douglas-Kroll Hamiltonian approximation at the level of an aug-cc-pVQZ basis set. All the potential energy curves were extrapolated to the complete basis set limit. The spectroscopic parameters were determined. The 12Σ-, 22Σ-, 32Σ- and 14Σ+ states may be very difficult to be detected in an experiment, since each of these Λ-S states has only one or two vibrational states. The Franck-Condon factors and radiative lifetimes were calculated for several low vibrational levels of the A2Π - X2Π, 32Π - a4Σ-, 22Δ - a4Σ- and 32Σ- - 12Σ- transitions. The spin-orbit coupling effect on the spectroscopic parameters of the X2Π, A2Π, 32Π, a4Σ- and 22Σ+ states were discussed. The spectroscopic properties reported here can be expected to be reliably predicted ones.

  15. Ground State Properties of New Element Z = 113 and Its Alpha Decay Chain

    Institute of Scientific and Technical Information of China (English)

    TAI Fei; CHEN Ding-Han; XU Chang; REN Zhong-Zhou

    2005-01-01

    @@ We investigate the ground state properties of the new element 278113 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 [Morita et al.J.Phys.Soc.Jpn.73 (2004) 2593].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 278113.The common points and differences among different models are compared and discussed.

  16. Polar Vector Property of the Stationary State of Condensed Molecular Matter

    Directory of Open Access Journals (Sweden)

    Jürg Hulliger

    2014-10-01

    Full Text Available Crystalline phases undergoing 180\\(^{\\circ}\\ orientational disorder of dipolar entities in the seed or at growing (hkl faces will show a polar vector property described by \\(\\infty\\ /mm symmetry. Seeds and crystals develop a bi-polar state (\\(\\infty\\/mm, where domains related by a mirror plane m allow for a \\(\\infty\\ m symmetry in each domain. The polarity of domains is due to energetic favorable interactions at the object-to-nutrient interface. Such interactions are well reproduced by an Ising Hamiltonian. Two-dimensional Monte Carlo simulations performed for real molecules with full long-range interactions allow us to calculate the spatial distribution of the electrical polarization Pel. The investigation has been extended to liquid droplets made of dipolar entities by molecular dynamics simulations. We demonstrate the development of an m\\(\\bar{\\infty}\\   quasi bi-polar state leading to a charged surface.

  17. Influences of Interface States on Resistive Switching Properties of TiOx with Different Electrodes

    Institute of Scientific and Technical Information of China (English)

    JIA Ze; WANG Lin-Kai; REN Tian-Ling

    2010-01-01

    @@ Different TiOx thin films prepared by graded or sufficient oxidization of Ti are applied with Pt or Ag electrode in metal-insulator-metal(MIM)structures for studying the properties and mechanisms of resistive switching.The differences on the mobile oxygen vacancies in TiOx films and different work functions of the electrode films result in different insulator-metal interface states,which are displayed as ohmic-like or non-ohmic contact.Based on the interface states,the electrical models for MIM devices are analyzed and extracted.The electrode-limited effect and the bulk-limited effect can be unified to explain the mechanisms for resistive switching behavior as the dominant effect respectively in various conditions.All the current-voltage curves of the four kinds of specimens measured in the experiments can be explained and proved in accordance with the theory.

  18. Thermodynamic properties and approximate solutions of the ℓ-state Pöschl–Teller-type potential

    Directory of Open Access Journals (Sweden)

    W.A. Yahya

    2016-10-01

    Full Text Available In this study, the solutions of the ℓ-state Pöschl–Teller-type potential for the Schrödinger and Klein–Gordon equations are obtained using the parametric Nikiforov–Uvarov method. Solving the Schrödinger and Klein–Gordon wave equations, the energy eigenvalues and wave functions are obtained. For the case ℓ=0, we made comparison with previous results where the solutions of Schrödinger equation for the Pöschl–Teller-type potential were obtained for s-wave (ℓ=0 state. We also obtain the thermodynamic properties such as vibrational mean energy, vibrational specific heat, vibrational mean free energy and vibrational entropy for the Pöschl–Teller-type potential in the classical limit.

  19. 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

    field were used. Multiple regression and ARIMA models yielded similar prediction accuracy, whereas state-space models generally gave significantly higher accuracy. State-space modeling suggested K-S at a given location could be predicted using nearby values of K-S, k(a100) and air-filled porosity......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...... 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...

  20. 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.

  1. 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...

  2. 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.

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

    CERN Document Server

    Kaminski, Wojciech

    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.

  4. Decay properties of low-lying collective states in sup 1 sup 3 sup 2 Ba

    CERN Document Server

    Gade, A; Meise, H; Gelberg, A; Brentano, P V

    2002-01-01

    The decay properties of low-lying collective states in sup 1 sup 3 sup 2 Ba were studied by means of gamma spectroscopy following the beta-decay of the 2 sup - ground state (T sub 1 sub / sub 2 =4.8 h) and a 6 sup - isomer (T sub 1 sub / sub 2 =24.3 min) of sup 1 sup 3 sup 2 La. The lanthanum nuclei were produced at the Cologne FN TANDEM accelerator using the reaction sup 1 sup 2 sup 2 Sn( sup 1 sup 4 N, 4n) sup 1 sup 3 sup 2 La. The gamma gamma coincidences and singles spectra were measured with the OSIRIS-cube spectrometer. Beside ground and quasi-gamma band many other low-lying states were observed. The gamma gamma angular correlations were analyzed to assign spins to the excited states, and to determine the multipolarities of the depopulating the gamma transitions. We also confirmed the expected dominant E2 character of transitions in the quasi-gamma band and from the quasi-gamma to the ground band but with a certain deviation: the decay 6 sup + sub 2->6 sup + sub 1 shows an unexpected large M1 fraction. ...

  5. Evolution of Globular Microstructure and Rheological Properties of Stellite™ 21 Alloy after Heating to Semisolid State

    Science.gov (United States)

    Sołek, Krzysztof Piotr; Rogal, Łukasz; Kapranos, Platon

    2016-11-01

    Metal alloys can be successfully thixoformed in the partially liquid state if they display non-dendritic near-globular microstructures. The article presents the development of feedstock with such non-dendritic microstructure produced through the solid-state route of strain-induced melt-activated (SIMA) method, for a Stellite™ 21 alloy. Stellite™ alloys are a range of cobalt-chromium alloys designed for wear and corrosion resistance, currently shaped by casting, powder metallurgy or forging processes, but semisolid-state processing offers the possibility of a near-net-shaping method for these alloys. In this work, sprayformed followed by extrusion samples were heated to the temperature range at which the liquid and solid phases coexist in the material and spheroidal shape solid particles in a liquid matrix were obtained as required for semisolid processing. Microstructural investigations were carried out using scanning electron microscopy (SEM) in combination with energy-dispersive spectroscopy (EDS), with a further objective of analyzing the rheological properties of Stellite™ 21 alloy in the semisolid state, providing results to be used for identification of a processing window of temperature and viscosity ranges for thixoforming this alloy.

  6. Steady-state properties of a totally asymmetric exclusion process with particles of arbitrary size

    Science.gov (United States)

    Lakatos, Greg; Chou, Tom

    2003-03-01

    The steady-state currents and densities of a one-dimensional totally asymmetric exclusion process (TASEP) with particles that occlude an integer number (d) of lattice sites are computed using various mean field approximations and Monte Carlo simulations. TASEP's featuring particles of arbitrary size are relevant for modeling systems such as mRNA translation, vesicle locomotion along microtubules, and protein sliding along DNA. We conjecture that the nonequilibrium steady-state properties separate into low density, high density, an maximal current phases similar to those of the standard (d=1) TASEP. A simple mean field approximation for steady-state particle currents and densities is found to be inaccurate. However, we find local equilibrium particle distributions derived from a discrete Tonks gas partition function yield apparently exact currents within the maximal current phase. For the boundary-limited phases, the equilibrium Tonks gas distribution cannot be used to predict currents, phase boundaries, or the order of the phase transitions. However, we employ a refined mean field approach to find apparently exact expressions for the steady state currents, boundary densities, and phase diagrams of the d>= 1 TASEP. Extensive Monte Carlo simulations are performed to support our analytic, mean field results.

  7. 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.)

  8. Formulation, lyophilization and solid-state properties of a pegylated protein.

    Science.gov (United States)

    Mosharraf, Mitra; Malmberg, Michael; Fransson, Jonas

    2007-05-24

    In this paper the importance of formulation and process parameters on the solid-state properties of a lyophilized, pegylated growth hormone antagonist (pegvisomant) was studied. The degree of solid-state disorder (amorphicity), protein/polyethylene glycol (PEG)/sucrose interactions, and dissolution characteristics of the resultant cakes were examined. Using isothermal microcalorimetry (IMC) and differential scanning calorimetry (DSC), it was shown that in co-lyophilized pegylated protein/sucrose systems there was an interaction between sucrose and pegylated protein molecules. This interaction was evidenced by a decrease in the melting temperature (Tm) and melting enthalpy of PEG as a function of sucrose concentration. It was also shown that the sum of the heat of interaction with water for the individual constituents, lyophilized pegylated protein and lyophilized sucrose, was higher than the heat of interaction for the co-lyophilized system. As the concentration of sucrose was increased, the degree of solid-state disorder increased and the solid dissolved faster. A correlation was found among heat of interaction with water, degree of solid-state disorder, and dissolution time. Pegylation caused a shorter dissolution time, lower moisture content, increased amorphicity, and a more rapid moisture-induced crystallization of sucrose.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Materials by design: methodological developments in the calculation of excited-state properties

    Science.gov (United States)

    Govoni, Marco

    Density functional theory (DFT) is one of the main tools used in first principle simulations of materials; however several of the current approximations of exchange and correlation functionals do not provide the level of accuracy required for predictive calculations of excited state properties. The application to heterogeneous systems of more accurate post-DFT approaches such as Many-Body Perturbation Theory (MBPT) - for example to nanostructured, disordered, and defective materials - has been hindered by high computational costs. In this talk recent methodological developments in MBPT calculations will be discussed, as recently implemented in the open source code WEST, which efficiently exploits HPC architectures. Results using a formulation that does not require the explicit calculation of virtual states, nor the storage and inversion of large dielectric matrices will be presented; these results include quasi particle energies for systems with thousands of electrons and encompass the electronic structure of aqueous solutions, spin defects in insulators, and benchmarks for molecules and solids containing heavy elements. Simplifications of MBPT calculations based on the use of static response properties, such as dielectric-dependent hybrid functionals, will also be discussed. Work done in collaboration with Hosung Seo, Peter Scherpelz, Ikutaro Hamada, Jonathan Skone, Alex Gaiduk, T. Anh Pham, and Giulia Galli. Supported by DOE-BES.

  14. Quantification of black carbon mixing state from traffic: implications for aerosol optical properties

    Science.gov (United States)

    Willis, Megan D.; Healy, Robert M.; Riemer, Nicole; West, Matthew; Wang, Jon M.; Jeong, Cheol-Heon; Wenger, John C.; Evans, Greg J.; Abbatt, Jonathan P. D.; Lee, Alex K. Y.

    2016-04-01

    The climatic impacts of black carbon (BC) aerosol, an important absorber of solar radiation in the atmosphere, remain poorly constrained and are intimately related to its particle-scale physical and chemical properties. Using particle-resolved modelling informed by quantitative measurements from a soot-particle aerosol mass spectrometer, we confirm that the mixing state (the distribution of co-emitted aerosol amongst fresh BC-containing particles) at the time of emission significantly affects BC-aerosol optical properties even after a day of atmospheric processing. Both single particle and ensemble aerosol mass spectrometry observations indicate that BC near the point of emission co-exists with hydrocarbon-like organic aerosol (HOA) in two distinct particle types: HOA-rich and BC-rich particles. The average mass fraction of black carbon in HOA-rich and BC-rich particle classes was < 0.1 and 0.8, respectively. Notably, approximately 90 % of BC mass resides in BC-rich particles. This new measurement capability provides quantitative insight into the physical and chemical nature of BC-containing particles and is used to drive a particle-resolved aerosol box model. Significant differences in calculated single scattering albedo (an increase of 0.1) arise from accurate treatment of initial particle mixing state as compared to the assumption of uniform aerosol composition at the point of BC injection into the atmosphere.

  15. Mixing State and Optical Properties of Biomass Burning Aerosol during the SAMBBA 2012 Campaign

    Science.gov (United States)

    Brooke, Jennifer; Brooks, Barbara; McQuaid, Jim; Osborne, Simon

    2013-04-01

    Emissions of black carbon are a global phenomenon associated with combustion activities with an estimated 40 % of global emissions from biomass burning. These emissions are typically dominated in regional hotspots, such as along the edges of the Amazon Basin, and contribute to the regional air quality and have associated health impacts as well as the global climatic impacts of this major source of black carbon as well as other radiatively active species. New airborne measurements will be presented of biomass burning emissions across the Amazon region from the South AMerican Biomass Burning Analysis (SAMBBA) campaign based at Porto Vehlo, Rondônia, Brazil in September 2012. This airborne campaign aboard the FAAM BAe-146 coincided with the seasonal peak in South American biomass burning emissions, which make up the most dominant source of atmospheric pollutants in the region at this time. SAMBBA included dedicated flights involving in-situ measurements and remote sensing of single plume studies through to multi-plume sampling of smouldering and flaming vegetation fires, regional haze sampling, and measurements of biogenic aerosol and gases across Amazonas. This presentation summarises early findings from the SAMBBA aircraft observations focusing on the relationship between biomass burning aerosol properties; size distributions, aerosol mixing state and optical properties from a suite of instruments onboard the FAAM BAe-146. The interplay of these properties influences the regional radiative balance impacting on weather and climate. The Leeds airborne VACC (Volatile Aerosol Concentration and Composition) instrument is designed to investigate the volatility properties of different aerosol species in order to determine aerosol composition; furthermore it can be used to infer the mixing state of the aerosol. Size distributions measured with the volatility system will be compared with ambient size distribution measurements this allows information on organic coating

  16. Improving mechanical properties of carbon nanotube fibers through simultaneous solid-state cycloaddition and crosslinking

    Science.gov (United States)

    Lu, Xinyi; Hiremath, Nitilaksha; Hong, Kunlun; Evora, Maria C.; Ranson, Victoria H.; Naskar, Amit K.; Bhat, Gajanan S.; Kang, Nam-Goo; Mays, Jimmy W.

    2017-04-01

    Individual carbon nanotubes (CNTs) exhibit exceptional mechanical properties. However, difficulties remain in fully realizing these properties in CNT macro-assemblies, because the weak inter-tube forces result in the CNTs sliding past one another. Herein, a simple solid-state reaction is presented that enhances the mechanical properties of carbon nanotube fibers (CNTFs) through simultaneous covalent functionalization and crosslinking. This is the first chemical crosslinking proposed without the involvement of a catalyst or byproducts. The specific tensile strength of CNTFs obtained from the treatment employing a benzocyclobutene-based polymer is improved by 40%. Such improvement can be attributed to a reduced number of voids, impregnation of the polymer, and the formation of covalent crosslinks. This methodology is confirmed using both multiwalled nanotube (MWNT) powders and CNTFs. Thermogravimetric analysis, differential scanning calorimetry, x-ray photoelectron spectroscopy, and transmission electron microscopy of the treated MWNT powders confirm the covalent functionalization and formation of inter-tube crosslinks. This simple one-step reaction can be applied to industrial-scale production of high-strength CNTFs.

  17. 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.

  18. Luminescence properties of Dy3+ doped different fluoro-phosphate glasses for solid state lighting applications

    Science.gov (United States)

    Babu, S.; Reddy Prasad, V.; Rajesh, D.; Ratnakaram, Y. C.

    2015-01-01

    Dy3+ doped different fluoro-phosphate glasses are prepared and they are characterized by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier Transform Infrared (FTIR), Raman, optical absorption, and photoluminescence (PL) techniques. The structural characterization is accomplished by XRD, FTIR and Raman spectroscopy. The morphological analysis was performed by SEM. The absorption spectra have been analyzed using Judd-Ofelt theory and the intensity parameters have been evaluated. These parameters are used to calculate radiative properties such as emission probabilities (AR), radiative lifetimes (τR) and integrated absorption cross-sections (Σ) for different Dy3+ transitions. The PL spectra exhibit bands in the blue, yellow and red regions. Furthermore, the dependence of luminescence properties such as stimulated emission cross-sections (σp) and branching ratios (β) on different metal cations in these glasses is studied. From decay curve analysis, the lifetimes of the excited state 4F9/2 have been measured. The calorimetric property is also studied based on Commission International del'Eclairage (CIE) standards for Dy3+ doped different fluoro-phosphate glasses and discussed.

  19. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics.

    Science.gov (United States)

    Heyes, D M; Dini, D; Smith, E R

    2016-09-14

    System property fluctuations increasingly dominate a physical process as the sampling volume decreases. The purpose of this work is to explore how the fluctuation statistics of various thermodynamic properties depend on the sampling volume, using molecular dynamics (MD) simulations. First an examination of various expressions for calculating the bulk pressure of a bulk liquid is made, which includes a decomposition of the virial expression into two terms, one of which is the Method of Planes (MOP) applied to the faces of the cubic simulation cell. Then an analysis is made of the fluctuations of local density, temperature, pressure, and shear stress as a function of sampling volume (SV). Cubic and spherical shaped SVs were used within a spatially homogeneous LJ liquid at a state point along the melting curve. It is shown that the MD-generated probability distribution functions (PDFs) of all of these properties are to a good approximation Gaussian even for SV containing only a few molecules (∼10), with the variances being inversely proportional to the SV volume, Ω. For small subvolumes the shear stress PDF fits better to a Gaussian than the pressure PDF. A new stochastic sampling technique to implement the volume averaging definition of the pressure tensor is presented, which is employed for cubic, spherical, thin cubic, and spherical shell SV. This method is more efficient for less symmetric SV shapes.

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

    Science.gov (United States)

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

    2014-07-28

    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.

  1. Morphology and mixing state of atmospheric particles: Links to optical properties and cloud processing

    Science.gov (United States)

    China, Swarup

    Atmospheric particles are ubiquitous in Earth's atmosphere and impact the environment and the climate while affecting human health and Earth's radiation balance, and degrading visibility. Atmospheric particles directly affect our planet's radiation budget by scattering and absorbing solar radiation, and indirectly by interacting with clouds. Single particle morphology (shape, size and internal structure) and mixing state (coating by organic and inorganic material) can significantly influence the particle optical properties as well as various microphysical processes, involving cloud-particle interactions and including heterogeneous ice nucleation and water uptake. Conversely, aerosol cloud processing can affect the morphology and mixing of the particles. For example, fresh soot has typically an open fractal-like structure, but aging and cloud processing can restructure soot into more compacted shapes, with different optical and ice nucleation properties. During my graduate research, I used an array of electron microscopy and image analysis tools to study morphology and mixing state of a large number of individual particles collected during several field and laboratory studies. To this end, I investigated various types of particles such as tar balls (spherical carbonaceous particles emitted during biomass burning) and dust particles, but with a special emphasis on soot particles. In addition, I used the Stony Brook ice nucleation cell facility to investigate heterogeneous ice nucleation and water uptake by long-range transported particles collected at the Pico Mountain Observatory, in the Archipelago of the Azores. Finally, I used ice nucleation data from the SAAS (Soot Aerosol Aging Study) chamber study at the Pacific Northwest National Laboratory to understand the effects that ice nucleation and supercooled water processing has on the morphology of residual soot particles. Some highlights of our findings and implications are discussed next. We found that the

  2. pH-dependent transient conformational states control optical properties in cyan fluorescent protein.

    Science.gov (United States)

    Laricheva, Elena N; Goh, Garrett B; Dickson, Alex; Brooks, Charles L

    2015-03-04

    (namely, local solvation at the deprotonation site and a partial flexibility of the protein β-barrel structure) and provide the first evidence that transient conformational states can control optical properties of fluorescent proteins.

  3. Effect of f-electron configurations on the adsorption of trivalent f-elements on tertiary pyridine resin in hydrochloric acid/alcohol mixed solvents

    Energy Technology Data Exchange (ETDEWEB)

    Ikeda, Atsushi; Suzuki, Tatsuya; Aida, Masao; Ohtake, Kouhei; Fujii, Yasuhiko; Itoh, Keisuke; Hara, Mitsuo; Mitsugashira, Toshiaki

    2004-07-14

    The separation of trivalent actinides (An) from lanthanides (Ln) is difficult because of their chemical similarities although it is necessary for various fields such as nuclear fuel-cycle process. In the present study, it was observed that the trivalent An (Am{sup 3+}, Cm{sup 3+} and Cf{sup 3+}) were adsorbed on tertiary pyridine type resins far more strongly than the Ln in HCl (LiCl solution)/methanol mixed solvents and the An were separated from the Ln by using a single separation process. On the other hand, the Dowex 1 x 8 showed no adsorption in the same conditions. Therefore, there is a possibility that the adsorption of An and Ln cations is caused by the complexation of the cations with the tertiary pyridine groups of the resins, not by the ionic interaction. There seems to be some relationship between the distribution coefficients (K{sub d}) of trivalent f-elements (i.e. An and Ln) and the f-electron configurations of their cations, and their ionic size.

  4. 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.

  5. 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.)

  6. 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.

  7. 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.

  8. Improving the coherence properties of solid-state spin ensembles via optimized dynamical decoupling

    Science.gov (United States)

    Farfurnik, D.; Jarmola, A.; Pham, L. M.; Wang, Z. H.; Dobrovitski, V. V.; Walsworth, R. L.; Budker, D.; Bar-Gill, N.

    2016-04-01

    In this work, we optimize a dynamical decoupling (DD) protocol to improve the spin coherence properties of a dense ensemble of nitrogen-vacancy (NV) centers in diamond. Using liquid nitrogen-based cooling and DD microwave pulses, we increase the transverse coherence time T2 from ˜ 0.7 ms up to ˜ 30 ms. We extend previous work of single-axis (Carr-Purcell-Meiboom-Gill) DD towards the preservation of arbitrary spin states. After performing a detailed analysis of pulse and detuning errors, we compare the performance of various DD protocols. We identify that the concatenated XY8 pulse sequences serves as the optimal control scheme for preserving an arbitrary spin state. Finally, we use the concatenated sequences to demonstrate an immediate improvement of the AC magnetic sensitivity up to a factor of two at 250 kHz. For future work, similar protocols may be used to increase coherence times up to NV-NV interaction time scales, a major step toward the creation of quantum collective NV spin states.

  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. 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.

  11. Determination of density of states, conduction mechanisms and dielectric properties of nickel disulfide nanoparticles

    Directory of Open Access Journals (Sweden)

    Arifa Jamil

    2016-05-01

    Full Text Available Temperature and frequency dependent ac electrical measurements were used to explore density of states, conduction mechanisms and dielectric properties of nickel disulfide (NiS2 nanoparticles. The NiS2 nanoparticles were prepared by conventional one step solid state reaction method at 250 °C. X-ray diffraction (XRD confirmed cubic phase of prepared nanoparticles. Scanning electron microscope (SEM images revealed presence of irregular shaped nanoparticles as small as 50 nm. The ac electrical measurements were carried out from 300 K to 413 K. Two depressed semicircular arcs from 20 Hz to 2 MHz showed presence of bulk and grain boundary phases in NiS2 nanoparticles at all temperatures. Small polaron hopping conduction from 300 K to 393 K and correlated barrier hopping conduction mechanism at temperatures higher than 393 K was observed. High value of density of states (of the order of 1024 eV−1cm−3 was calculated from ac conductivity. At low frequencies high values (of the order of 104-107 of real part of dielectric constant (ε′ were observed at different temperatures. These observations suggest that NiS2 nanoparticles may find applications in electronic devices.

  12. Global Properties of Rotating Neutron Stars with QCD Equations of State

    Science.gov (United States)

    Gorda, Tyler

    2016-11-01

    We numerically investigate global properties of rotating neutron stars (NSs) using the allowed band of QCD equations of state derived by Kurkela et al. This band is constrained by chiral effective theory at low densities and perturbative QCD at high densities, and is thus, in essence, a controlled constraint from first-principles physics. Previously, this band of equations of state was used to investigate non-rotating NSs only; in this work, we extend these results to any rotation frequency below the mass-shedding limit. We investigate mass–radius curves, allowed mass–frequency regions, radius–frequency curves for a typical 1.4{M}ȯ star, and the values of the moment of inertia of the double pulsar PSR J0737-3039A, a pulsar for which the moment of inertia may be constrained observationally in a few years. We present limits on observational data coming from these constraints, and identify values of observationally relevant parameters that would further constrain the allowed region for the QCD equation of state. We also discuss how much this region would be constrained by a measurement of the moment of inertia of the double pulsar PSR J0737-3039A.

  13. Research on atomic states, physical properties and catalytic performance of Ru metal

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Using the one-atom theory (OA) of pure metals, the atomic states of Ru metal with hcp structure, fcc structure, bcc structure and liquid state were determined as fol- lows: [Kr](4dn)3.78(4dc)2.22(5sc)1.77(5sf)0.23,Ψa(fcc-Ru)=[Kr](4dn)3.70(4dc)2.44 (5sc)1.42(5sf)0.44, Ψ a(bcc-Ru)=[Kr](4dn)4.00(4dc)2.22(5sc)1.56(5sf)0.22, Ψ a(L-Ru)=[Kr](4dn)4.00(4dc)2.00(5sc)1.52 (5sf)0.48. The potential curve and physical properties as a function of temperature for hcp-Ru such as lattice constant, cohesive energy, linear thermal expansion coeffi- cient, specific heat and Gibbs energy and so on were calculated quantitatively. The theoretical results are in excellent agreement with experimental value. The rela- tionship between the atomic states and catalytic performance was explained qualitatively and these supplied the designation of Ru metal and relative materials with theoretical instruction and complete data.

  14. Investigating coral hyperspectral properties across coral species and coral state using hyperspectral imaging

    Science.gov (United States)

    Mehrubeoglu, Mehrube; Smith, Dustin K.; Smith, Shane W.; Strychar, Kevin B.; McLauchlan, Lifford

    2013-09-01

    Coral reefs are one of the most diverse and threatened ecosystems in the world. Corals worldwide are at risk, and in many instances, dying due to factors that affect their environment resulting in deteriorating environmental conditions. Because corals respond quickly to the quality of the environment that surrounds them, corals have been identified as bioindicators of water quality and marine environmental health. The hyperspectral imaging system is proposed as a noninvasive tool to monitor different species of corals as well as coral state over time. This in turn can be used as a quick and non-invasive method to monitor environmental health that can later be extended to climate conditions. In this project, a laboratory-based hyperspectral imaging system is used to collect spectral and spatial information of corals. In the work presented here, MATLAB and ENVI software tools are used to view and process spatial information and coral spectral signatures to identify differences among the coral data. The results support the hypothesis that hyperspectral properties of corals vary among different coral species, and coral state over time, and hyperspectral imaging can be a used as a tool to document changes in coral species and state.

  15. Properties of the ground state in a spin-2 transverse Ising model with the presence of a crystal field

    Institute of Scientific and Technical Information of China (English)

    姜伟; 魏国柱; 杜安; 张起

    2002-01-01

    The properties of the ground state in the spin-2 transverse Ising model with the presence of a crystal field arestudied by using the effective-field theory with correlations. The longitudinal and transverse magnetizations, the phasediagram and the internal energy in the ground state are given numerically for a honeycomb lattice (z=3).

  16. Properties of the ground state in a spin—2 transverse Ising model with the presence of a srystal field

    Institute of Scientific and Technical Information of China (English)

    姜伟; 魏国柱; 等

    2002-01-01

    The properties of the ground state in the spin-2 transverse Ising model with the presence of a crystal of a crystal field are studied by using the effective-field theory with correlations,The longitudinal and transverse magnetizations,the phase diagram and the internal energy in the ground state are given numerically for a honeycomb lattice(z=3).

  17. Electronic, mechanical and thermodynamic properties of {alpha}-UH{sub 3}: A comparative study by using the LDA and LDA+U approaches

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Yujuan [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Wang Baotian [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Institute of Theoretical Physics and Department of Physics, Shanxi University, Taiyuan 030006 (China); Lu Yong; Yang Yu [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Zhang Ping, E-mail: zhang_ping@iapcm.ac.cn [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Center for Applied Physics and Technology, Peking University, Beijing 100871 (China)

    2012-11-15

    The electronic, mechanical, and thermodynamic properties of {alpha}-UH{sub 3} are comparatively investigated within the LDA and LDA+U formalisms. After choosing a reasonable U parameter, the LDA+U method can produce a more precise lattice constant. For the ground-state electronic structures of {alpha}-UH{sub 3}, the uranium 5f electronic states are divided into multiple peaks in the LDA+U results, resulting in weakening of the material's metallicity, and enhancement of the ionic character of the uranium-hydrogen bonds. However, inclusion of the U parameter induces negligible changes on the mechanical properties of {alpha}-UH{sub 3}. Lastly for thermodynamic properties, systematic phonon dispersion curve calculations reveal that the LDA and LDA+U methods give quite different frequencies for the optical branches of phonons of {alpha}-UH{sub 3}. Our systematical studies can serve as comparisons for further experimental investigations on UH{sub 3}.

  18. Theoretical study of the ground-state structures and properties of niobium hydrides under pressure

    Science.gov (United States)

    Gao, Guoying; Hoffmann, Roald; Ashcroft, N. W.; Liu, Hanyu; Bergara, Aitor; Ma, Yanming

    2013-11-01

    As part of a search for enhanced superconductivity, we explore theoretically the ground-state structures and properties of some hydrides of niobium over a range of pressures and particularly those with significant hydrogen content. A primary motivation originates with the observation that under normal conditions niobium is the element with the highest superconducting transition temperature (Tc), and moreover some of its compounds are metals again with very high Tc's. Accordingly, combinations of niobium with hydrogen, with its high dynamic energy scale, are also of considerable interest. This is reinforced further by the suggestion that close to its insulator-metal transition, hydrogen may be induced to enter the metallic state somewhat prematurely by the addition of a relatively small concentration of a suitable transition metal. Here, the methods used correctly reproduce some ground-state structures of niobium hydrides at even higher concentrations of niobium. Interestingly, the particular stoichiometries represented by NbH4 and NbH6 are stabilized at fairly low pressures when proton zero-point energies are included. While no paired H2 units are found in any of the hydrides we have studied up to 400 GPa, we do find complex and interesting networks of hydrogens around the niobiums in high-pressure NbH6. The Nb-Nb separations in NbHn are consistently larger than those found in Nb metal at the respective pressures. The structures found in the ground states of the high hydrides, many of them metallic, suggest that the coordination number of hydrogens around each niobium atom grows approximately as 4n in NbHn (n = 1-4), and is as high as 20 in NbH6. NbH4 is found to be a plausible candidate to become a superconductor at high pressure, with an estimated Tc ˜ 38 K at 300 GPa.

  19. Model Analysis of Influences of Aerosol Mixing State upon Its Optical Properties in East Asia

    Institute of Scientific and Technical Information of China (English)

    HAN Xiao; ZHANG Meigen; ZHU Lingyun; XU Liren

    2013-01-01

    The air quality model system RAMS (Regional Atmospheric Modeling System)-CMAQ (Models-3 Community Multi-scale Air Quality) coupled with an aerosol optical/radiative module was applied to investigate the impact of different aerosol mixing states (i.e.,externally mixed,half externally and half internally mixed,and internally mixed) on radiative forcing in East Asia.The simulation results show that the aerosol optical depth (AOD) generally increased when the aerosol mixing state changed from externally mixed to internally mixed,while the single scattering albedo (SSA) decreased.Therefore,the scattering and absorption properties of aerosols can be significantly affected by the change of aerosol mixing states.Comparison of simulated and observed SSAs at five AERONET (Aerosol Robotic Network) sites suggests that SSA could be better estimated by considering aerosol particles to be internally mixed.Model analysis indicates that the impact of aerosol mixing state upon aerosol direct radiative forcing (DRF) is complex.Generally,the cooling effect of aerosols over East Asia are enhanced in the northern part of East Asia (Northern China,Korean peninsula,and the surrounding area of Japan) and are reduced in the southern part of East Asia (Sichuan Basin and Southeast China) by internal mixing process,and the variation range can reach ±5 W m-2.The analysis shows that the internal mixing between inorganic salt and dust is likely the main reason that the cooling effect strengthens.Conversely,the internal mixture of anthropogenic aerosols,including sulfate,nitrate,ammonium,black carbon,and organic carbon,could obviously weaken the cooling effect.

  20. Equation of state and structural properties of the Weeks-Chandler-Andersen fluid.

    Science.gov (United States)

    Heyes, David M; Okumura, Hisashi

    2006-04-28

    Molecular dynamics simulations have been carried out for the equation of state and percolation properties of the Weeks-Chandler-Andersen (WCA) system in its fluid phase as functions of density and temperature. The compressibility factor Z collapses well for the various isotherms, using an effective particle diameter for the WCA particle which is (in the usual WCA reduced units) sigma(e)=2(16)(1+T)(16), where T is the temperature. A corresponding "effective" packing fraction is zeta(e)=pisigma(e) (3)N6V, for N particles in volume V, which therefore scales out the effects of temperature. Using zeta(e) the simulation derived Z can be fitted to a simple analytic form which is similar to the Carnahan-Starling hard sphere equation of state and which is valid at all temperatures and densities where the WCA fluid is thermodynamically stable. The data, however, are not scalable onto the hard sphere equation of state for the complete packing fraction range. We explored the continuum percolation behavior of the WCA fluids. The percolation distance sigma(p) for the various states collapses well onto a single curve when plotted as sigma(p)sigma(e) against zeta(e). The ratio sigma(p)sigma(e) exhibits a monotonic decrease with increasing zeta(e) between the percolation line for permeable spheres and the glass transition limit, where sigma(p)sigma(e) approximately 1. The percolation packing fraction was calculated as a function of effective packing fraction and fitted to an empirical expression. The local coordination number at the percolation threshold showed a transition between the soft core and hard core limits from ca. 2:74 to 1:5, as previously demonstrated in the literature for true hard spheres. A number of simple analytic expressions that represent quite well the percolation characteristics of the WCA system are proposed.

  1. Elastic properties of Pu metal and Pu-Ga alloys

    Energy Technology Data Exchange (ETDEWEB)

    Soderlind, P; Landa, A; Klepeis, J E; Suzuki, Y; Migliori, A

    2010-01-05

    We present elastic properties, theoretical and experimental, of Pu metal and Pu-Ga ({delta}) alloys together with ab initio equilibrium equation-of-state for these systems. For the theoretical treatment we employ density-functional theory in conjunction with spin-orbit coupling and orbital polarization for the metal and coherent-potential approximation for the alloys. Pu and Pu-Ga alloys are also investigated experimentally using resonant ultrasound spectroscopy. We show that orbital correlations become more important proceeding from {alpha} {yields} {beta} {yields} {gamma} plutonium, thus suggesting increasing f-electron correlation (localization). For the {delta}-Pu-Ga alloys we find a softening with larger Ga content, i.e., atomic volume, bulk modulus, and elastic constants, suggest a weakened chemical bonding with addition of Ga. Our measurements confirm qualitatively the theory but uncertainties remain when comparing the model with experiments.

  2. Elastic properties of Pu metal and Pu-Ga alloys

    Science.gov (United States)

    Söderlind, Per; Landa, Alex; Klepeis, J. E.; Suzuki, Y.; Migliori, A.

    2010-06-01

    We present elastic properties, theoretical and experimental, of Pu metal and Pu-Ga (δ) alloys together with ab initio equilibrium equation of state for these systems. For the theoretical treatment we employ density-functional theory in conjunction with spin-orbit coupling and orbital polarization for the metal and coherent-potential approximation for the alloys. Pu and Pu-Ga alloys are also investigated experimentally using resonant ultrasound spectroscopy. We show that orbital correlations become more important proceeding from α→β→γ plutonium, thus suggesting increasing f -electron correlation and a corresponding softening of the elastic moduli. For the δ-Pu-Ga alloys we find a softening with larger Ga content, i.e., atomic volume, bulk modulus, and elastic constants imply a weakened chemical bonding with addition of Ga. Our measurements confirm qualitatively the theory but uncertainties remain when comparing the model with experiments.

  3. Properties of sodium-driven bacterial flagellar motor: A two-state model approach

    CERN Document Server

    Zhang, Yunxin

    2013-01-01

    Bacterial flagellar motor (BFM) is one of the ion-driven molecular machines, which drives the rotation of flagellar filaments and enable bacteria to swim in viscous solutions. Understanding its mechanism is one challenge in biophysics. Based on previous models and inspired by the idea used in description of motor proteins, in this study one two-state model is provided. Meanwhile, according to corresponding experimental data, mathematical relationship between BFM membrane voltage and pH value of the environment, and relationship between internal and external sodium concentrations are given. Therefore, with model parameter values obtained by fitting theoretical results of torque-speed relation to recent experimental data, many biophysical properties of bacterial flagellar motor can be obtained for any pH values and any external sodium concentrations. Including the rotation speed, stall torque (i.e. the torque generated by BFM), rotation dispersion, and rotation randomness. In this study, the single-stator BFM w...

  4. 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.

  5. Solid State Reaction Synthesis and Thermoelectric Properties of Mg2Si doped with Sb and Te

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Doped with Sb and Te,Mg2Si based compounds were prepared respectively by solid state reaction at 823K for 8h.Effects of dopants of Sb and Te on the structure and thermoelectric properties of the compounds were investigated.By calculating the values of the electrical conductivity for Sb-doped sample,the mechanism of electric conduction at 625K is different.The figure of merit for sample doped with 0.4wt% Te at 500K is 2.4×10-3W/mK2,and it reaches 3.3×10-3W/mK2 at 650K for the sample doped with 0.5wt% Sb.The values are more than 1.4 times and 2.3 times of the pure Mg2Si sample.

  6. 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.

  7. State Evaluation Method Based on Multiagent System for High Voltage Circuit Breaker's Mechanical Properties

    Institute of Scientific and Technical Information of China (English)

    LI Bin; LIN Xin; XU Jianyuan; QI Hongwei; ZHANG Bin

    2013-01-01

    To realize multi-signal joint diagnosis in circuit breaker's state evaluation methods,and to improve their evaluation accuracy,we proposed an intelligent evaluation model of circuit breaker mechanical properties based on multiagent system.Taking a circuit breaker which has mono-stable permanent magnetic operating mechanism as the example,its model involves four kinds of signals:auxiliary contact,operating mechanism current,travel of the contact,and mechanical vibration.Detailed analyses on the evaluation agent's architecture and the process of the system's multiagent evaluation and ratiocination were also proposed.Moreover,it is proved by three application cases that the proposed method could accurately evaluate circuit breaker status not only with normal signals,but also in certain signal failure situations; meanwhile the model has a strong self-learning ability.

  8. Superconducting and normal-state properties of the noncentrosymmetric superconductor Re6Zr

    Science.gov (United States)

    Mayoh, D. A.; Barker, J. A. T.; Singh, R. P.; Balakrishnan, G.; Paul, D. McK.; Lees, M. R.

    2017-08-01

    We systematically investigate the normal and superconducting properties of noncentrosymmetric Re6Zr using magnetization, heat capacity, and electrical resistivity measurements. Resistivity measurements indicate Re6Zr has poor metallic behavior and is dominated by disorder. Re6Zr undergoes a superconducting transition at Tc=(" close=")10.3 ±0.1 )">6.75 ±0.05 K. Magnetization measurements give a lower critical field, μ0Hc 1=(11.2 ±0.2 )T , which is close to the Pauli limiting field of 12.35 T and which could indicate singlet-triplet mixing. However, low-temperature specific-heat data suggest that Re6Zr is an isotropic, fully gapped s -wave superconductor with enhanced electron-phonon coupling. Unusual flux pinning resulting in a peak effect is observed in the magnetization data, indicating an unconventional vortex state.

  9. Extraction of Nuclear Matter Properties from Nuclear Masses by a Model of Equation of State

    Institute of Scientific and Technical Information of China (English)

    K.C.Chung; C.S.Wang; A.J.Santiago

    2001-01-01

    The extraction of nuclear matter properties from measured nuclear masses is investigated in the energy density functional formalism of nuclei.It is shown that the volume energy a1 and the nuclear incompressibility Ko depend essentially on μnN -+- pZ - 2EN,whereas the symmetry energy J and the density symmetry coefficient L as well as symmetry incompressibility Ks depend essentially on μn - μp,where μp =μp - Ec/ Z,μn and μp are the neutron and proton chemical potentials respectively,EN the nuclear energy,and Ec the Coulomb energy.The obtained symmetry energy is J = 28.5 MeV,while other coefficients are uncertain within ranges depending on the model of nuclear equation of state.``

  10. Ground State Properties of Ds Isotopes Within the Relativistic Mean Field Theory

    Institute of Scientific and Technical Information of China (English)

    张海飞; 张鸿飞; 李君清

    2012-01-01

    The ground state properties of Ds (Z=110) isotopes (N=151-195) are studied in the framework of the relativistic mean field (RMF) theory with the effective interaction NL-Z2.The pairing correlation is treated within the conventional BCS approximation.The calculated binding energies are consistent with the results from finite-range droplet model (FRDM) and Macroscopic-microscopic method (MMM).The quadrupole deformation,α-decay energy,α-decay half-live,charge radius,two-neutron separation energy and single-particle spectra are analyzed for Ds isotopes to find new characteristics of superheavy nuclei (SHN).Among the calculated results it is rather distinct that the isotopic shift appears evidently at neutron number N=184.

  11. Ground-state properties of even and odd Magnesium isotopes in a symmetry-conserving approach

    Directory of Open Access Journals (Sweden)

    Marta Borrajo

    2017-01-01

    Full Text Available We present a self-consistent theory for odd nuclei with exact blocking and particle number and angular momentum projection. The demanding treatment of the pairing correlations in a variation-after-projection approach as well as the explicit consideration of the triaxial deformation parameters in a projection after variation method, together with the use of the finite-range density-dependent Gogny force, provides an excellent tool for the description of odd–even and even–even nuclei. We apply the theory to the Magnesium isotopic chain and obtain an outstanding description of the ground-state properties, in particular binding energies, odd–even mass differences, mass radii and electromagnetic moments among others.

  12. Ground state structures and properties of Si3H ( = 1–6) clusters

    Indian Academy of Sciences (India)

    D Balamurugan; R Prasad

    2003-01-01

    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 hydrogenation. Hydrogenation is done till all dangling bonds of silicon are saturated. Our results show that over coordination of hydrogen is favoured in Si3H clusters and the geometry of Si3 cluster does not change due to hydrogenation. Cohesive energy per particle and first excited electronic level gap study of the clusters show that Si3H6 cluster is most stable and Si3H3 cluster is most unstable among the clusters considered here.

  13. Investigations of Optical Coherence Properties in an Erbium-doped Silicate Fiber for Quantum State Storage

    CERN Document Server

    Staudt, M U; Afzelius, M; Jaccard, D; Tittel, W; Gisin, Nicolas; Staudt, Matthias U.; Hastings-Simon, Sara R.; Afzelius, Mikael; Jaccard, Didier; Tittel, Wolfgang; Gisin, Nicolas

    2006-01-01

    We studied optical coherence properties of the 1.53 $\\mu$m telecommunication transition in an Er$^{3+}$-doped silicate optical fiber through spectral holeburning and photon echoes. We find decoherence times of up to 3.8 $\\mu$s at a magnetic field of 2.2 Tesla and a temperature of 150 mK. A strong magnetic-field dependent optical dephasing was observed and is believed to arise from an interaction between the electronic Er$^{3+}$ spin and the magnetic moment of tunneling modes in the glass. Furthermore, we observed fine-structure in the Erbium holeburning spectrum originating from superhyperfine interaction with $^{27}$Al host nuclei. Our results show that Er$^{3+}$-doped silicate fibers are promising material candidates for quantum state storage.

  14. Ground-State Properties of Z = 59 Nuclei in the Relativistic Mean-Field Theory

    Institute of Scientific and Technical Information of China (English)

    ZHOU Yong; MA Zhong-Yu; CHEN Bao-Qiu; LI Jun-Qing

    2000-01-01

    Ground-state properties of Pr isotopes are studied in a framework of the relativistic mean-field (RMF) theory using the recently proposed parameter set TM1. Bardeen-Cooper-Schrieffer (BCS) pproximation and blocking method is adopted to deal with pairing interaction and the odd nucleon, respectively. The pairing forces are taken to be isospin dependent. The domain of the validity of the BCS theory and the positions of neutron and proton drip lines are studied. It is shown that RMF theory has provided a good description of the binding energy,isotope shifts and deformation of nuclei over a large range of Pr isotopes, which are in good agreement with those obtained in the finite-range droplet model.

  15. Ground-state properties of even and odd Magnesium isotopes in a symmetry-conserving approach

    CERN Document Server

    Borrajo, Marta

    2016-01-01

    We present a self-consistent theory for odd nuclei with exact blocking and particle number and angular momentum projection. The demanding treatment of the pairing correlations in a variation-after-projection approach as well as the explicit consideration of the triaxial deformation parameters in a projection after variation method, together with the use of the finite-range density-dependent Gogny force, provides an excellent tool for the description of odd-even and even-even nuclei. We apply the theory to the Magnesium isotopic chain and obtain an outstanding description of the ground-state properties, in particular binding energies, odd-even mass differences, mass radii and electromagnetic moments among others.

  16. Penn State Worry Questionnaire: structure and psychometric properties of the Chinese version

    Institute of Scientific and Technical Information of China (English)

    Jie ZHONG; Chun WANG; Jie LI; Jun LIU

    2009-01-01

    The Penn State Worry Questionnaire (PSWQ) is a measure of worry phenomena and has been demonstrated valid in cross-cultural populations. The present study examined the factor structure and psychometric properties of the Chinese version of PSWQ (Ch-PSWQ) in a Chinese college sample (n=1243). Exploratory factor analysis of the Ch-PSWQ revealed a two-factor solution (engagement of worry and absence of worry). Confirmatory factor analysis and model comparison supported that the model of one factor with method effect provided the best fit to the data. The Ch-PSWQ and its factors evidenced good internal consistency and both convergent and discriminate validity. The present study supports the opinion that the second factor of PSWQ not only contains the component of evaluating pathological worry, but also might represent other traits.

  17. Microscopic modeling of the effect of phonons on the optical properties of solid-state emitters

    Science.gov (United States)

    Norambuena, Ariel; Reyes, Sebastián A.; Mejía-Lopéz, José; Gali, Adam; Maze, Jerónimo R.

    2016-10-01

    Understanding the effect of vibrations in optically active nanosystems is crucial for successfully implementing applications in molecular-based electro-optical devices, quantum information communications, single photon sources, and fluorescent markers for biological measurements. Here, we present a first-principles microscopic description of the role of phonons on the isotopic shift presented in the optical emission spectrum associated to the negatively charged silicon-vacancy color center in diamond. We use the spin-boson model and estimate the electron-phonon interactions using a symmetrized molecular description of the electronic states and a force-constant model to describe molecular vibrations. Group theoretical arguments and dynamical symmetry breaking are presented in order to explain the optical properties of the zero-phonon line and the isotopic shift of the phonon sideband.

  18. Ground-state properties of even and odd Magnesium isotopes in a symmetry-conserving approach

    Science.gov (United States)

    Borrajo, Marta; Egido, J. Luis

    2017-01-01

    We present a self-consistent theory for odd nuclei with exact blocking and particle number and angular momentum projection. The demanding treatment of the pairing correlations in a variation-after-projection approach as well as the explicit consideration of the triaxial deformation parameters in a projection after variation method, together with the use of the finite-range density-dependent Gogny force, provides an excellent tool for the description of odd-even and even-even nuclei. We apply the theory to the Magnesium isotopic chain and obtain an outstanding description of the ground-state properties, in particular binding energies, odd-even mass differences, mass radii and electromagnetic moments among others.

  19. Solid state synthesis and room temperature magnetic properties of iron phosphide nanoparticles

    Science.gov (United States)

    Singh, N.; Khanna, P. K.; Joy, P. A.

    2009-02-01

    Room temperature magnetic properties have been achieved for nano-crystalline iron phosphide synthesized from the direct solid state reaction of iron chloride and tri-octylphosphine (TOP). The magnetization continuously increased with higher magnetic fields, indicating a super-paramagnetic behavior. It is observed that room temperature magnetism is possible for the material showing antiferromagnetic nature at low temperatures. In the present synthesis, TOP acted as a source of phosphorus as well as a surfactant. X-ray diffraction (XRD) studies revealed that the black powder is a mixture of FeP and Fe2P. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) showed elongated as well spherical particles. Energy dispersion X-ray analysis (EDAX) confirmed a non-stoichiometric iron phosphide. Presence of TOP was confirmed by infra-red (IR) spectroscopy, and thermo-gravimetric analysis (TGA) indicated about 6% wt. loss due to presence of organics.

  20. Machinability of Green Powder Metallurgy Components: Part II. Sintered Properties of Components Machined in Green State

    Science.gov (United States)

    Robert-Perron, Etienne; Blais, Carl; Pelletier, Sylvain; Thomas, Yannig

    2007-06-01

    The green machining process is virtually a must if the powder metallurgy (PM) industries are to solve the lower machining performances associated with PM components. This process is known for lowering the rate of tool wear. Recent improvements in binder/lubricant technologies have led to high-green-strength systems that enable green machining. Combined with the optimized cutting parameters determined in Part I of the study, the green machining of PM components seems to be a viable process for fabricating high performance parts on large scale and complete other shaping processes. This second part of our study presents a comparison between the machining behaviors and the sintered properties of components machined prior to or after sintering. The results show that the radial crush strength measured on rings machined in their green state is equal to that of parts machined after sintering.

  1. Tables of equation-of-state, thermodynamic properties, and shock Hugoniot for hot dense fluid deuterium

    CERN Document Server

    Zaghloul, Mofreh R

    2015-01-01

    We present computational results and tables of the equation-of-state, thermodynamic properties, and shock Hugoniot for hot dense fluid deuterium. The present results are generated using a recently developed chemical model that takes into account different high density effects such as Coulomb interactions among charged particles, partial degeneracy, and intensive short range hard core repulsion. Internal partition functions are evaluated in a statistical-mechanically consistent way implementing recent developments in the literature. The shock Hugoniot curve derived from the present tables is in reasonable overall agreement with the Hugoniot derived from the Nova-laser shock wave experiments on liquid deuterium, showing that deuterium has a significantly higher compressibility than predicted by the SESAME tables or by Path Integral Monte Carlo (PIMC) calculations. Computational results are presented as surface plots for the dissociated fraction, degree of ionization, pressure, and specific internal energy for d...

  2. Thermoelectric properties of bulk MoSi2 synthesized by solid state microwave heating

    Science.gov (United States)

    Lan, Yu; Xie, Mianyu; Ouyang, Ting; Yue, Song

    2016-07-01

    In this research, single phase α-MoSi2 was prepared by solid state hybrid microwave heating within 90 min at relatively low temperature 1273 K. Such precursor powders were then ball milled and sintered by microwave heating at different temperatures. The thermoelectric (TE) properties of MoSi2 bulks were investigated in the temperature range of 300-673 K. When the sintering temperature increases from 973 K to 1273 K, the electrical resistivity decreases significantly and the Seebeck coefficients increase obviously, leading to the maximum TE powder factor of 6.2 × 10-6Wm-1K-2 at 673 K. These results demonstrate the feasibility of high efficient and economical synthesis of MoSi2 by microwave heating technique, with the final products having comparable TE performance in comparison to those from typical methods with long duration and energy-extensive consumption.

  3. Properties of meso-Erythritol; phase state, accommodation coefficient and saturation vapour pressure

    Science.gov (United States)

    Emanuelsson, Eva; Tschiskale, Morten; Bilde, Merete

    2016-04-01

    Introduction Saturation vapour pressure and the associated temperature dependence (enthalpy ΔH), are key parameters for improving predictive atmospheric models. Generally, the atmospheric aerosol community lack experimentally determined values of these properties for relevant organic aerosol compounds (Bilde et al., 2015). In this work we have studied the organic aerosol component meso-Erythritol. Methods Sub-micron airborne particles of meso-Erythritol were generated by nebulization from aqueous solution, dried, and a mono disperse fraction of the aerosol was selected using a differential mobility analyser. The particles were then allowed to evaporate in the ARAGORN (AaRhus Atmospheric Gas phase OR Nano particle) flow tube. It is a temperature controlled 3.5 m long stainless steel tube with an internal diameter of 0.026 m (Bilde et al., 2003, Zardini et al., 2010). Changes in particle size as function of evaporation time were determined using a scanning mobility particle sizer system. Physical properties like air flow, temperature, humidity and pressure were controlled and monitored on several places in the setup. The saturation vapour pressures were then inferred from the experimental results in the MATLAB® program AU_VaPCaP (Aarhus University_Vapour Pressure Calculation Program). Results Following evaporation, meso-Erythriol under some conditions showed a bimodal particle size distribution indicating the formation of particles of two different phase states. The issue of physical phase state, along with critical assumptions e.g. the accommodation coefficient in the calculations of saturation vapour pressures of atmospheric relevant compounds, will be discussed. Saturation vapour pressures from the organic compound meso-Erythritol will be presented at temperatures between 278 and 308 K, and results will be discussed in the context of atmospheric chemistry. References Bilde, M. et al., (2015), Chemical Reviews, 115 (10), 4115-4156. Bilde, M. et. al., (2003

  4. Microscopic Evidence of a Crossover to a Low-Temperature Intermediate Valence State in YbCo2Zn20

    Science.gov (United States)

    Mito, Takeshi; Hara, Hiroki; Ishida, Takuma; Nakagawara, Keitaro; Koyama, Takehide; Ueda, Koichi; Kohara, Takao; Ishida, Kenji; Matsubayashi, Kazuyuki; Saiga, Yuta; Uwatoko, Yoshiya

    2013-10-01

    The low-temperature properties of YbCo2Zn20, which shows a giant specific heat at low temperatures, have been studied by the 59Co-nuclear quadrupole resonance (NQR) technique. The measurement of spin lattice relaxation rate reveals that Yb 4f-electrons unusually persist in a well-localized regime down to at least 0.3 K without ordering magnetically. With further lowering temperature, NQR frequency decreases below 0.2 K reflecting the low-temperature Fermi liquid state, even suggesting a crossover to an intermediate valence state in close proximity to the localized--delocalzied transition. We also compare the observed unique properties of YbCo2Zn20 with those of YbRh2Si2, which shows antiferromagnetic ordering at extremely low temperature.

  5. Baryon properties and glueballs from Poincare-covariant bound-state equations

    CERN Document Server

    Sanchis-Alepuz, Helios

    2012-01-01

    In this thesis the covariant Bethe-Salpeter equation formalism is used to study some properties of ground-state baryons. This formalism relies on the knowledge of the interaction kernel among quarks and of the full quark propagator. For the interaction kernel, which is in principle a sum of infinitely many diagrams, I use the Ladder truncation. It amounts to reduce the interaction to a flavor-blind quark-mass independent vector-vector interaction between two quarks, mediated by a dressed gluon. The irreducible three-body interactions are neglected. The full quark propagator is obtained as a solution of the quark Dyson-Schwinger equation which is truncated such that, together with the truncation in the interaction kernel, chiral symmetry is correctly implemented. It is called Rainbow truncation, and together with the truncated kernel equation it constitutes the Rainbow-Ladder truncation of the Bethe-Salpeter equation. Any truncation induces the introduction of a model to account for the properties of the full ...

  6. Macroscopic-microscopic calculations of ground state properties of superheavy nuclei

    Institute of Scientific and Technical Information of China (English)

    ZHI Qi-jun; Mao Ying-chen; REN Zhong-zhou

    2006-01-01

    We systematically calculate the ground state properties of superheavy even-even nuclei with proton number Z=94-118.The calculations are based on the liquid drop macroscopic model and the microscopic model with the modified single-particle oscillator potential. The calculated binding energies and α-decay energies agree well with the experimental data.The reliability of the macroscopic-microscopic(MM)model for superheavy nuclei is confirmed by the good agreement between calculated results and experimental ones. Detailed comparisons between our calculations and M(o)ller's are made.It is found that the calculated results also agree with M(o)ller's results and that the MM model is insensitive to the microscopic single-particle potential. Calculated results are also compared with results from relativistic mean-field (RMF)model and from Skyrme-Hatree-Fock(SHF) model.In addition,half-lives,deformations and shape coexistence are also investigated.The properties of some unknown nuclei are predicted and they will be useful for future experimental researches of superheavy nuclei.

  7. Inductive Pulsed Plasma Thruster Model with Time-Evolution of Energy and State Properties

    Science.gov (United States)

    Polzin, Kurt A.; Sankaran, Kamesh

    2012-01-01

    A model for pulsed inductive plasma acceleration is presented that consists of a set of circuit equations coupled to both a one-dimensional equation of motion and an equation governing the partitioning of energy. The latter two equations are obtained for the plasma current sheet by treating it as a single element of finite volume and integrating the governing equations over that volume. The integrated terms are replaced where necessary by physically-equivalent quantities that are calculated through the solution of other parts of the governing equation set. The model improves upon previous one-dimensional performance models by permitting the time-evolution of the energy and state properties of the plasma, the latter allowing for the tailoring of the model to different gases that may be chosen as propellants. The time evolution of the various energy modes in the system and the associated plasma properties, calculated for argon propellant, are presented to demonstrate the efficacy of the model. The model produces a result where efficiency is maximized at a given value of the electrodynamic scaling term known as the dynamic impedance parameter. Qualitatively and quantitatively, the model compares favorably with performance measured for two separate inductive pulsed plasma thrusters, with disagreements attributable to simplifying assumptions employed in the generation of the model solution.

  8. Composition and solution properties of fluorinated block copolymers and their surface structures in the solid state

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    A series of diblock copolymers composed of methyl methacrylate and 2-perfluorooctylethyl methacry-late(PMMA144-b-PFMAn) with various PFMA block lengths were prepared by atom transfer radical po-lymerization(ATRP).The surface structures and properties of these polymers in the solid state and in solution were investigated using contact angle measurement,X-ray photoelectron spectroscopy(XPS),sum frequency generation(SFG) vibrational spectroscopy,surface tension and dynamic laser light scattering(DLS).It was found that with increasing PFMA block length,water and oil repellency de-creased,the ratio of F/C increased with increasing film depth,and the degree of ordered packing of the perfluoroalkyl side chains at the surface decreased.When the number of PFMA block units reached 10,PMMA segments were detected at the copolymer surface,which was attributed to the PFMA block length affecting molecular aggregation structure of the copolymer in the solution and the interfacial structure at the air/liquid interface,which in turn affects surface structure formation during solution solidification.The results suggest that copolymer solution properties play an important role in struc-ture formation on the solid surface.

  9. Composition and solution properties of fluorinated block copolymers and their surface structures in the solid state

    Institute of Scientific and Technical Information of China (English)

    NI HuaGang; XUE DongWu; WANG XiaoFang; ZHANG Wei; WANG XinPing; SHEN ZhiQuan

    2009-01-01

    A series of diblock copolymers composed of methyl methacrylate and 2-perfluorooctylethyl methacry-late (PMMA144-b-PFMAn) with various PFMA block lengths were prepared by atom transfer radical po-lymerization (ATRP). The surface structures and properties of these polymers in the solid state and in solution were investigated using contact angle measurement, X-ray photoelectron spectroscopy (XPS), sum frequency generation (SFG) vibrational spectroscopy, surface tension and dynamic laser light scattering (DLS). It was found that with increasing PFMA block length, water and oil repellency de-creased, the ratio of F/C increased with increasing film depth, and the degree of ordered packing of the perfluoroalkyl side chains at the surface decreased. When the number of PFMA block units reached 10, PMMA segments were detected at the copolymer surface, which was attributed to the PFMA block length affecting molecular aggregation structure of the copolymer in the solution and the interfacial structure at the air/liquid interface, which in turn affects surface structure formation during solution solidification. The results suggest that copolymer solution properties play an important role in struc-ture formation on the solid surface.

  10. 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.

  11. 41 CFR 102-38.345 - Do we have to withdraw personal property advertised for public sale if a State Agency for Surplus...

    Science.gov (United States)

    2010-07-01

    ... personal property advertised for public sale if a State Agency for Surplus Property wants to buy it? 102-38... withdraw the item from public sale if the property has been advertised. ... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 38-SALE OF PERSONAL PROPERTY...

  12. Electronic and magnetic properties of spiral spin-density-wave states in transition-metal chains

    Science.gov (United States)

    Tanveer, M.; Ruiz-Díaz, P.; Pastor, G. M.

    2016-09-01

    The electronic and magnetic properties of one-dimensional (1D) 3 d transition-metal nanowires are investigated in the framework of density functional theory. The relative stability of collinear and noncollinear (NC) ground-state magnetic orders in V, Mn, and Fe monoatomic chains is quantified by computing the frozen-magnon dispersion relation Δ E (q ⃗) as a function of the spin-density-wave vector q ⃗. The dependence on the local environment of the atoms is analyzed by varying systematically the lattice parameter a of the chains. Electron correlation effects are explored by comparing local spin-density and generalized-gradient approximations to the exchange and correlation functional. Results are given for Δ E (q ⃗) , the local magnetic moments μ⃗i at atom i , the magnetization-vector density m ⃗(r ⃗) , and the local electronic density of states ρi σ(ɛ ) . The frozen-magnon dispersion relations are analyzed from a local perspective. Effective exchange interactions Ji j between the local magnetic moments μ⃗i and μ⃗j are derived by fitting the ab initio Δ E (q ⃗) to a classical 1D Heisenberg model. The dominant competing interactions Ji j at the origin of the NC magnetic order are identified. The interplay between the various Ji j is revealed as a function of a in the framework of the corresponding magnetic phase diagrams.

  13. Entropy: An Inherent, Non-statistical Property of any System in any State

    Directory of Open Access Journals (Sweden)

    Elias P. Gyftopoulos

    2006-09-01

    Full Text Available

    Entropy is the distinguishing and most important concept of our efforts to understand and regularize our observations of a very large class of natural phenomena, and yet, it is one of the most contentious concepts of physics. In this article, we review two expositions of thermodynamics, one without reference to quantum theory, and the other quantum mechanical without probabilities of statistical mechanics. In the first, we show that entropy is an inherent property of any system in any state, and that its analytical expression must conform to eight criteria. In the second, we recognize that quantum thermodynamics: (i admits quantum probabilities described either by wave functions or by nonstatistical density operators; and (ii requires a nonlinear equation of motion that is delimited by but more general than the Schrödinger equation, and that accounts for both reversible and irreversible evolutions of the state of the system in time. Both the more general quantum probabilities, and the equation of motion have been defined, and the three laws of thermodynamics are shown to be theorems of this equation.

    • An initial version of this paper was published in
      July of 2006 in the proceedings of ECOS’06, Aghia
      Pelagia, Crete, Greece. 

  14. Test of Variational Methods for Studying Molecular and Solid State Properties by Application to Sodium Atom

    Science.gov (United States)

    Das, T. P.; Pink, R. H.; Dubey, Archana; Scheicher, R. H.; Chow, Lee

    2011-03-01

    As part of our continuing test of accuracy of the variational methods, Variational Hartree-Fock Many Body Perturbation Theory (VHFMBPT) and Variational Density Functional Theory (VDFT) for study of energy and wave-function dependent properties in molecular and solid state systems we are studying the magnetic hyperfine interactions in the ground state of sodium atom for comparison by these methods with the available results from experiment 1 and the linked cluster many-body many body perturbation theory (LCMBPT) for atoms 2 , which has provided very accurate results for the one-electron and many-electron contributions and total hyperfine constants in atomic systems. Comparison will also be made with the corresponding results obtained already from the (VHFMBPT) and (VDFT) methods in lithium 3 to draw general conclusions about the nature of possible improvements needed for the variational methods. 1. M. Arditi and R. T. Carver, Phys. Rev. 109, 1012 (1958); 2. T. Lee, N.C. Dutta, and T.P. Das, Hyperfine Structure of Sodium, Phys. Rev. A 1, 995 (1970); 3. Third Joint HFI-NQI International Conference on Hyperfine Interactions, CERN, Geneva, September 2010.

  15. The thermodynamic and ground state properties of the TIP4P water octamer.

    Science.gov (United States)

    Asare, E; Musah, A-R; Curotto, E; Freeman, David L; Doll, J D

    2009-11-14

    Several stochastic simulations of the TIP4P [W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983)] water octamer are performed. Use is made of the stereographic projection path integral and the Green's function stereographic projection diffusion Monte Carlo techniques, recently developed in one of our groups. The importance sampling for the diffusion Monte Carlo algorithm is obtained by optimizing a simple wave function using variational Monte Carlo enhanced with parallel tempering to overcome quasiergodicity problems. The quantum heat capacity of the TIP4P octamer contains a pronounced melting peak at 160 K, about 50 K lower than the classical melting peak. The zero point energy of the TIP4P water octamer is 0.0348+/-0.0002 hartree. By characterizing several large samples of configurations visited by both guided and unguided diffusion walks, we determine that both the TIP4P and the SPC [H. J. C. Berendsen, J. P. Postma, W. F. von Gunsteren, and J. Hermans, (Intermolecular Forces, Reidel, 1981). p. 331] octamer have a ground state wave functions predominantly contained within the D(2d) basin of attraction. This result contrasts with the structure of the global minimum for the TIP4P potential, which is an S(4) cube. Comparisons of the thermodynamic and ground-state properties are made with the SPC octamer as well.

  16. Ground-state properties of two-dimensional quantum fluid helium and hydrogen mixtures

    CERN Document Server

    Um, C I; Oh, H G

    1998-01-01

    Using a variational Jastrow wavefunction extended to include a three-body correlation function and a hypernetted chain scheme with the contributions of elementary diagrams, we analyze the ground-state energies and the structural properties of two-dimensional H- sup 4 He and H sub 2 - sup 4 He mixtures. The mixtures are in equilibrium at a lower density compared to a pure sup 4 He system because of the large zero-point energies of the hydrogen atom and molecule. We evaluate the lowering of the ground-state energies as a function of the impurity concentration and total density of mixtures. Comparing the result with boson sup 3 He- sup 4 He mixtures, we show that the shifts of energy mainly come from the difference of the zero-point energies of the impurities rather than from the interatomic potentials.We also analyze the enthalpies to study the miscibility and conclude that boson-boson mixtures are completely phase separated in their equilibria.

  17. Global properties of rotating neutron stars with QCD equations of state

    CERN Document Server

    Gorda, Tyler

    2016-01-01

    We numerically investigate global properties of rotating neutron stars using the allowed band of QCD equations of state derived by Kurkela et al. This band is constrained by chiral effective theory at low densities and perturbative QCD at high densities, and is thus, in essence, a controlled constraint from first-principles physics. Previously, this band of equations of state was used to investigate non-rotating neutron stars only; in this work, we extend these results to any rotation frequency below the mass-shedding limit. We investigate mass--radius curves, allowed mass--frequency regions, radius--frequency curves for a typical 1.4-solar-mass star, and the values of the moment of inertia of the double pulsar PSR J0737-3039A, a pulsar whose moment of inertia may be constrained observationally in a few years. We present limits on observational data coming from these constraints, and identify values of observationally-relevant parameters that would further constrain the allowed region for the QCD equation of ...

  18. Psychometric properties of the State and Trait Food Cravings Questionnaires among overweight and obese persons.

    Science.gov (United States)

    Vander Wal, Jillon S; Johnston, Karen A; Dhurandhar, Nikhil V

    2007-04-01

    A crucial problem in studies involving food cravings is the lack of a psychometrically sound measure for use among overweight and obese populations. The degree to which the Food Cravings Questionnaires-Trait (FCQ-T) and State (FCQ-S) evidenced acceptable psychometric properties among overweight and obese participants was assessed. In study 1, 109 participants completed the FCQ-T and FCQ-S. Item-total correlations, test-retest reliability, internal consistency, and factor structures were examined. Results indicate good internal consistency and partially support the factor structures. In study 2, the construct and predictive validity of the FCQ-S were examined. Twenty-eight women completed the FCQ-S 15 min after finishing a standardized breakfast and then twice more, 90 min apart. Subsequent ad libitum food intake was recorded. Results suggest that the FCQ-S is sensitive to state changes in food cravings, but that the magnitude of the changes was moderate. The FCQ-S was not a good predictor of subsequent food intake. The FCQ-T and FCQ-S may be useful in studies that examine triggers of and interventions for excessive food intake.

  19. Triplet state dissolved organic matter in aquatic photochemistry: reaction mechanisms, substrate scope, and photophysical properties.

    Science.gov (United States)

    McNeill, Kristopher; Canonica, Silvio

    2016-11-09

    Excited triplet states of chromophoric dissolved organic matter ((3)CDOM*) play a major role among the reactive intermediates produced upon absorption of sunlight by surface waters. After more than two decades of research on the aquatic photochemistry of (3)CDOM*, the need for improving the knowledge about the photophysical and photochemical properties of these elusive reactive species remains considerable. This critical review examines the efforts to date to characterize (3)CDOM*. Information on (3)CDOM* relies mainly on the use of probe compounds because of the difficulties associated with directly observing (3)CDOM* using transient spectroscopic methods. Singlet molecular oxygen ((1)O2), which is a product of the reaction between (3)CDOM* and dissolved oxygen, is probably the simplest indicator that can be used to estimate steady-state concentrations of (3)CDOM*. There are two major modes of reaction of (3)CDOM* with substrates, namely triplet energy transfer or oxidation (via electron transfer, proton-coupled electron transfer or related mechanisms). Organic molecules, including several environmental contaminants, that are susceptible to degradation by these two different reaction modes are reviewed. It is proposed that through the use of appropriate sets of probe compounds and model photosensitizers an improved estimation of the distribution of triplet energies and one-electron reduction potentials of (3)CDOM* can be achieved.

  20. Tables of equation-of-state, thermodynamic properties, and shock Hugoniot for hot dense fluid deuterium

    Energy Technology Data Exchange (ETDEWEB)

    Zaghloul, Mofreh R. [Department of Physics, College of Science, United Arab Emirates University, P.O. Box 15551, Al-Ain (United Arab Emirates)

    2015-11-15

    We present computational results and tables of the equation-of-state, thermodynamic properties, and shock Hugoniot for hot dense fluid deuterium. The present results are generated using a recently developed chemical model that takes into account different high density effects such as Coulomb interactions among charged particles, partial degeneracy, and intensive short range hard core repulsion. Internal partition functions are evaluated in a statistical-mechanically consistent way implementing recent developments in the literature. The shock Hugoniot curve derived from the present tables is overall in reasonable agreement with the Hugoniot derived from the Nova-laser shock wave experiments on liquid deuterium, showing that deuterium has a significantly higher compressibility than predicted by the SESAME tables or by Path Integral Monte Carlo calculations. Computational results are presented as surface plots for the dissociated fraction, degree of ionization, pressure, and specific internal energy for densities ranging from 0.0001 to 40 g/cm{sup 3} and temperatures from 2000 to ∼10{sup 6 }K. Tables for values of the above mentioned quantities in addition to the specific heat at constant pressure, c{sub p}, ratio of specific heats, c{sub p}/c{sub v}, sound speed and Hugoniot curve (for a specific initial state) are presented for practical use.

  1. Relationship between crystal structure and solid-state properties of pharmaceuticals

    Science.gov (United States)

    Sheth, Agam R.

    This thesis strives to understand the structure-property relationships of some pharmaceutical crystals at the molecular level with emphasis on the effect of secondary processing on the solid phase. Using single crystal X-ray diffractometry (SCXRD), the structure of warfarin sodium 2-propanol adduct (W) was established to be a true solvate, contrary to previous reports. Using dynamic water vapor sorption, optical and environmental scanning electron microscopy, SCXRD, powder X-ray diffractometry (PXRD), volume computations and molecular modeling, the effect of relative humidity and temperature on the crystal structure of W was investigated. Ab initio calculations on piroxicam showed that the difference in energy between the two polymorphs, I and II, arises predominantly from the difference between their lattice energies. The detailed hydrogen bonding networks of the two polymorphs are described and compared using graph sets. Despite stabilization of the polymorphs by hydrogen bonds, pair-wise distribution function transforms show a loss of polymorphic memory upon cryogrinding the two polymorphs, leading to a difference in recrystallization behavior between amorphous piroxicam prepared from polymorphs I and II. Structural and solid-state changes of piroxicam polymorphs under mechanical stress were investigated using cryogenic grinding, PXRD, diffuse-reflectance solid-state ultraviolet-visible spectroscopy, 13C solid-state nuclear magnetic resonance spectroscopy, and diffuse-reflectance solid-state Fourier-transform infrared spectroscopy. Intermolecular proton transfer was found to accompany changes in phase and color observed upon cryogrinding the two polymorphs. Model-free and model-fitting studies of the dehydration kinetics of piroxicam monohydrate (PM) showed the dependence of activation energy ( Ea) on both isothermal and non-isothermal heating conditions, and on the fraction of conversion. In the constant-E a region, isothermal dehydration follows the two

  2. Mapping the solid-state properties of crystalline lysozyme during pharmaceutical unit-operations.

    Science.gov (United States)

    Mohammad, Mohammad Amin; Grimsey, Ian M; Forbes, Robert T

    2015-10-10

    Bulk crystallisation of protein therapeutic molecules towards their controlled drug delivery is of interest to the biopharmaceutical industry. The complexity of biotherapeutic molecules is likely to lead to complex material properties of crystals in the solid state and to complex transitions. This complexity is explored using batch crystallised lysozyme as a model. The effects of drying and milling on the solid-state transformations of lysozyme crystals were monitored using differential scanning calorimetry (DSC), X-ray powder diffraction (XRPD), FT-Raman, and enzymatic assay. XRPD was used to characterise crystallinity and these data supported those of crystalline lysozyme which gave a distinctive DSC thermogram. The apparent denaturation temperature (Tm) of the amorphous lysozyme was ∼201 °C, while the Tm of the crystalline form was ∼187 °C. Raman spectra supported a more α-helix rich structure of crystalline lysozyme. This structure is consistent with reduced cooperative unit sizes compared to the amorphous lysozyme and is consistent with a reduction in the Tm of the crystalline form. Evidence was obtained that milling also induced denaturation in the solid-state, with the denatured lysozyme showing no thermal transition. The denaturation of the crystalline lysozyme occurred mainly through its amorphous form. Interestingly, the mechanical denaturation of lysozyme did not affect its biological activity on dissolution. Lysozyme crystals on drying did not become amorphous, while milling-time played a crucial role in the crystalline-amorphous-denatured transformations of lysozyme crystals. DSC is shown to be a key tool to monitor quantitatively these transformations.

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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.)

  8. Effect of thermomechanical treatment modes on structural-phase states and mechanical properties of metastable austenitic steel

    Science.gov (United States)

    Akkuzin, S. A.; Litovchenko, I. Yu.; Polekhina, N. A.; Tyumentsev, A. N.

    2016-11-01

    The features of the structural-phase states and mechanical properties of metastable austenitic steel after thermomechanical treatments have been investigated. It is shown that low-temperature and subsequent deformation in the temperature range 300-773 K contributes to the direct (γ → α')-martensitic transformation. The combination of low-temperature, subsequent warm deformation at 873 K and annealing at 1073 K leads to the direct (γ → α')- and reverse (α' → γ)-martensitic transformations. As a result of thermomechanical treatments submicrocrystalline two-phase structural states with high strength properties (σ0.1 ≈ 1160-1350 MPa) are formed.

  9. The influence of chemical composition and mixing state of Los Angeles urban aerosol on CCN number and cloud properties

    Directory of Open Access Journals (Sweden)

    M. J. Cubison

    2008-03-01

    Full Text Available The relationship between cloud condensation nuclei (CCN number and the physical and chemical properties of the atmospheric aerosol distribution is explored for a polluted urban data set from the Study of Organic Aerosols at Riverside I (SOAR-1 campaign conducted at Riverside, California, USA during summer 2005. The mixing state and, to a lesser degree, the average chemical composition are shown to be important parameters in determining the activation properties of those particles around the critical activation diameters for atmospherically-realistic supersaturation values. Closure between predictions and measurements of CCN number at several supersaturations is attempted by modeling a number of aerosol chemical composition and mixing state schemes of increasing complexity. It is shown that a realistic treatment of the state of mixing of the urban aerosol distribution is critical in order to eliminate model bias. Fresh emissions such as elemental carbon and small organic particles must be treated as non-activating and explicitly accounted for in the model scheme. The relative number concentration of these particles compared to inorganics and oxygenated organic compounds of limited hygroscopicity plays an important role in determining the CCN number. Furthermore, expanding the different composition/mixing state schemes to predictions of cloud droplet number concentration in a cloud parcel model highlights the dependence of cloud optical properties on the state of mixing and hygroscopic properties of the different aerosol modes, but shows that the relative differences between the different schemes are reduced compared to those from the CCN model.

  10. Genealogy of flows of continuous-state branching processes via flows of partitions and the Eve property

    CERN Document Server

    Labbé, Cyril

    2012-01-01

    We encode the genealogy of a continuous-state branching process associated with a branching mechanism $\\Psi$ - or $\\Psi$-CSBP in short - using a stochastic flow of partitions. This encoding holds for all branching mechanisms and appears as a very tractable object to deal with asymptotic behaviours and convergences. In particular we study the so-called Eve property - the existence of an ancestor from which the entire population descends asymptotically - and give a necessary and sufficient condition on the $\\Psi$-CSBP for this property to hold. Finally, we show that the flow of partitions unifies the lookdown representation and the flow of subordinators when the Eve property holds.

  11. Donor-Acceptor Conjugated Linear Polyenes: A Study of Excited State Intramolecular Charge Transfer, Photoisomerization and Fluorescence Probe Properties.

    Science.gov (United States)

    Hota, Prasanta Kumar; Singh, Anil Kumar

    2014-07-27

    Numerous studies of donor-acceptor conjugated linear polyenes have been carried out with the goal to understand the exact nature of the excited state electronic structure and dynamics. In this article we discuss our endeavours with regard to the excited state intramolecular charge transfer, photoisomerization and fluorescence probe properties of various donor-acceptor substituted compounds of diphenylpolyene [Ar(CH = CH) n Ar] series and ethenylindoles.

  12. Steady-state property and dynamics in graphene-nanoribbon-array lasers

    Science.gov (United States)

    Zhao, Xing-Hai; Shan, Guang-Cun; Shek, Chan-Hung

    2012-10-01

    In this work, we present a schematic configuration and device model for a graphene-nanoribbon (GNR)-array-based nanolaser, which consists of a three-variable rate equations that takes into account carrier capture and Pauli blocking in semiconductor GNR-array lasers to analyze the steady-state properties and dynamics in terms of the role of the capture rate and the gain coefficient in GNR array nanolasers. Furthermore, our GNR-array nanolaser device model can be determined as two distinct two-variable reductions of the rate equations in the limit of large capture rates, depending on their relative values. The first case leads to the rate equations for quantum well lasers, exhibiting relaxation oscillations dynamics. The second case corresponds to GNRs nearly saturated by the carriers and is characterized by the absence of relaxation oscillations. Our results here demonstrated that GNR-array as gain material embedded into a high finesse microcavity can serve as an ultralow lasing threshold nanolaser with promising applications ranging widely from optical fiber communication with increasing data processing speed to digital optical recording and biology spectroscopy

  13. Dielectric properties of Simon poplar wood flour/polypropylene composite at oven-dry state

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Interfacial compatibility is a crucial factor to the performance of wood-plastic composites (WPCs). Yet, so far, the cou-pling mechanisms of WPC have not been completely understood. In order to further clarify the interracial coupling mechanism, the dielectric constant and dielectric loss factor of Simon poplar wood flour/polypropylene composites without additives at different wood contents were measured at oven-dry state, and parameters and thermodynamic quantities of the relaxation process were also analyzed and calculated. Consequently, an obvious relaxation process based on the reorientation of methanol groups in amorphous region of wood cell wall was observed exactly that its dielectric loss factor peak decreased with the decreasing wood content within the measured range of 50%-100%. With the trend of dielectric relaxation strength, the two changing trends both revealed that the existence of polypropylene could hinder reorientation of methanol groups. Following the decreasing wood contents, the effect of the hindrance on the dielectric properties turned obvious gradually. It elucidated that introduction of polypropylene caused the quantities of hydrogen bonds formed between each methanol group and the groups around it change. The same conclusion could be drawn from the analysis of thermodynamic quantities during the dielectric relaxation progress.

  14. Thermophysical Properties of Manganin (Cu86Mn12Ni2) in the Solid and Liquid State

    Science.gov (United States)

    Schmon, A.; Aziz, K.; Luckabauer, M.; Pottlacher, G.

    2015-07-01

    Manganin is the trademark name of the alloy Cu86Mn12Ni2. Despite its frequent usage in manufacturing processes, literature data are scarce particularly at higher temperatures. This work presents a set of thermophysical data of this alloy in a temperature range above its classic area of application up to the end of its liquid phase. For investigating the alloy, four examination setups were employed. Using differential thermal analysis, solidus and liquidus temperatures were obtained. In the solid phase, the electrical resistivity as a function of temperature was determined by a four-point probe positioned in a furnace. Thermal expansion was measured with a high-resolution two-beam laser dilatometer based on Michelson-interferometry and thereby density was calculated. The liquid state was investigated using a s-ohmic-pulse-heating setup. Wire-shaped specimens were resistively volume heated as part of an electrical discharge circuit. Measured quantities were the current through the specimen, the voltage drop along the specimen, the surface radiance by a pyrometer, and the thermal expansion with an adapted CCD camera system. On the basis of these measurements, temperature-dependent thermophysical properties of enthalpy, isobaric heat capacity, electrical resistivity, and density are obtained. Additionally the thermal conductivity and thermal diffusivity are estimated in the high-temperature range applying the Wiedemann-Franz law.

  15. Solid-state synthesis and properties of SmCoO3

    Institute of Scientific and Technical Information of China (English)

    Liu Runru; Xu Dapeng; Li Shuang; Lu Zhe; Xue Yanfeng; Wang Deyong; Su Wenhui

    2006-01-01

    In this paper,perovskite oxide SmCoO3 was prepared by the solid-state reaction method using Co2O3 and Sm2O3 as raw materials.The structure and properties of the samples were investigated by XRD,Raman spectral techniques,and DC measurements and so on.The results of XRD and Raman spectra showed that the mixtures of Co2O3 and Sm2O3 can react to produce a single phase perovskite oxide SmCoO3 around 1353 K.The single-phase SmCoO3 changes from an insulator to a semi-conductor and transition occurs around 470 K.The thermal expansion coefficient (2.17×10-5 K-1) of the single-phase SmCoO3 is approximately equal to that of doped LaGaO3,but much bigger than that of SDC(Ce0.85Sm0.15O2) above 873 K.

  16. Group Invariance Properties of the Inviscid Compressible Flow Equations for a Modified Tait Equation of State

    Science.gov (United States)

    Ramsey, Scott; Baty, Roy

    2015-11-01

    This work considers the group invariance properties of the inviscid compressible flow equations (Euler equations) under the assumptions of one-dimensional symmetry and a modified Tait equation of state (EOS) closure model. When written in terms of an adiabatic bulk modulus, a transformed version of these equations is found to be identical to that for an ideal gas EOS. As a result, the Lie group invariance structure of these equations - and their subsequent reduction to a lower-order system - is identical to the published results for the ideal gas case. Following the reduction of the Euler equations to a system of ordinary differential equations, a variety of elementary closed-form solutions are derived. These solutions are then used in conjunction with the Rankine-Hugoniot conditions to construct discontinuous shock wave and free surface solutions that are analogous to the classical Noh, Sedov, Guderley, and Hunter similarity solutions of the Euler equations for an ideal gas EOS. The versions of these problems for the modified Tait EOS are found to be semi-analytic in that a transcendental root extraction (and in some cases numerical integration of ordinary differential equations) enables solution of the relevant equations.

  17. 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.

  18. 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.

  19. Capella (alpha Aurigae) revisited: New binary orbit, physical properties, and evolutionary state

    CERN Document Server

    Torres, Guillermo; Pavlovski, Kresimir; Dotter, Aaron

    2015-01-01

    Knowledge of the chemical composition and absolute masses of Capella are key to understanding the evolutionary state of this benchmark binary system comprising two giant stars. Previous efforts, including our own 2009 study, have largely failed to reach an acceptable agreement between the observations and current stellar evolution models, preventing us from assessing the status of the primary. Here we report a revision of the physical properties of the components incorporating recently published high-precision radial velocity measurements, and a new detailed chemical analysis providing abundances for more than 20 elements in both stars. We obtain highly precise (to about 0.3%) masses of 2.5687 +/- 0.0074 and 2.4828 +/- 0.0067 solar masses, radii of 11.98 +/- 0.57 and 8.83 +/- 0.33 solar radii, effective temperatures of 4970 +/- 50 K and 5730 +/- 60 K, and independently measured luminosities based on the orbital parallax (78.7 +/- 4.2 and 72.7 +/- 3.6 solar luminosities). We find an excellent match to stellar ...

  20. M/G/c/c state dependent travel time models and properties

    Science.gov (United States)

    MacGregor Smith, J.; Cruz, F. R. B.

    2014-02-01

    One of the most important problems in today’s modeling of transportation networks is an accurate estimate of travel time on arterial links, highway, and freeways. There are a number of deterministic formulas that have been developed over the years to achieve a simple and direct way to estimate travel times for this complex task. Realistically, however, travel time is a random variable. These deterministic formula are briefly reviewed and also a new way to compute travel time over arterial links, highway, and freeways, is presented based on an analytical state dependent queueing model. One of the features of the queueing model is that it is analyzed within the context of the theoretical three-phase traffic flow model. We show that the model provides a quantitative foundation alternative to qualitative three-phase traffic flow theory. An important property shown with the model is that the travel time function is not convex, but a sigmoid S-shaped (i.e. logistic curve). Extensive analytical and simulation experiments are shown to verify the S-shaped nature of the travel time function and the use of the model’s method of estimation of travel time over vehicular traffic links as compared with traditional approaches. Finally, it is shown that the point-of-inflection of the S-shaped curve represents the threshold point where the traffic flow volume switches from Free Flow to Congested Flow.

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

    Science.gov (United States)

    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.

  2. Dynamic polarizabilities and related properties of clock states of ytterbium atom

    CERN Document Server

    Dzuba, V A

    2009-01-01

    We carry out relativistic many-body calculations of the static and dynamic dipole polarizabilities of the ground $6s^2 ^1S_0$ and the first excited $6s6p ^3P^o_0$ states of Yb. With these polarizabilities, we compute several properties of Yb relevant to optical lattice clocks operating on the $6s^2 ^1S_0 - 6s6p ^3P^o_0$ transition. We determine (i) the first four {\\em magic} wavelengths of the laser field for which the frequency of the clock transition is insensitive to the laser intensity. While the first magic wavelength is known, we predict the second, the third and the forth magic wavelengths to be 551 nm, 465 nm, and 413 nm. (ii) We reevaluate the effect of black-body radiation on the frequency of the clock transition, the resulting clock shift at $T=300 \\mathrm{K}$ being $-1.41(17)$ Hz. (iii) We compute long-range interatomic van der Waals coefficients (in a.u.) $C_6(6s^2 ^1S_0 +6s^2 ^1S_0) = 1909(160)$, $C_6(6s^2 ^1S_0 + 6s6p ^3P_0) =2709(338) $, and $C_6(6s6p ^3P_0 + 6s6p ^3P_0) =3886(360) $. Finally,...

  3. Scale-dependent analyses of precipitation forecasts and cloud properties using the Dynamic State Index

    Directory of Open Access Journals (Sweden)

    Antje Névir Claussnitzer

    2008-12-01

    Full Text Available The objective of this study is a scale-dependent analysis of precipitation forecasts of the German Weather Service's (DWD non-hydrostatic Lokal-Modell (LM, COSMO-DE with regard to dynamical-statistical parameters and cloud properties. We propose a newly designed Dynamic State Index (DSI to evaluate precipitation processes. The DSI is presented in the context of a case study in the synoptic scale and in a statistical approach. The DSI quantitatively describes the deviation from a stationary, adiabatic and reversible solution of the primitive equations. As demonstrated by the example of the winter storm "Kyrill", the analysis of the vertical structure of the DSI gives a relation to the IPV-Thinking, introduced by Hoskins et al. (1985. Furthermore, the DSI-pattern features the characteristic filament-like structure of rainbands with embedded convective cells. In a next step the DSI is not only correlated with modelled precipitation but also with observed precipitation as well as cloud types. The absolute value of the DSI shows moderate correlations with hourly LM and high correlations with hourly COSMO-DE forecast data, based on 24 hour predictions. The statistical analysis of clouds with the index reveals a DSI-threshold, which is used to introduce a novel precipitation activity index of different cloud classes. In conclusion, the results highlight the importance of dynamical processes for the generation of rainfall.

  4. Aerosol optical properties in the southeastern United States in summer – Part 1: Hygroscopic growth

    Directory of Open Access Journals (Sweden)

    C. A. Brock

    2015-09-01

    Full Text Available Aircraft observations of meteorological, trace gas, and aerosol properties were made during May–September 2013 in the southeastern United States (US under fair-weather, afternoon conditions with well-defined planetary boundary layer structure. Optical extinction at 532 nm was directly measured at three relative humidities and compared with extinction calculated from measurements of aerosol composition and size distribution using the κ-Köhler approximation for hygroscopic growth. Using this approach, the hygroscopicity parameter κ for the organic fraction of the aerosol must have been We present a new parameterization of the change in aerosol extinction as a function of relative humidity that better describes the observations than does the widely used power-law (gamma, γ parameterization. This new single-parameter κext formulation is based upon κ-Köhler and Mie theories and relies upon the well-known approximately linear relationship between particle volume (or mass and optical extinction (Charlson et al., 1967. The fitted parameter, κext, is nonlinearly related to the chemically derived κ parameter used in κ-Köhler theory. The values of κext we determined from airborne measurements are consistent with independent observations at a nearby ground site.

  5. Effects of spin-orbit coupling on the electronic states and spectroscopic properties of diatomic SeS

    Science.gov (United States)

    Chattopadhyaya, Surya; Nath, Abhijit; Das, Kalyan Kumar

    2016-03-01

    The electronic states and spectroscopic properties of selenium monosulfide (78Se32S) have been studied using relativistic configuration interaction methodology that includes effective core potentials of the constituent atoms. Potential energy curves of several spin-excluded (Λ-S) electronic states have been constructed and spectroscopic constants of low-lying bound Λ-S states within 5.1 eV are reported in the first stage of the calculations. In the next stage, the spin-orbit interaction has been incorporated and its effects on the potential energy curves and spectroscopic properties of the species have been investigated in detail. After the inclusion of spin-orbit coupling, the {{{{X}}}{{1}}}{{3}}{Σ }{0+}- is identified as the spin-orbit (Ω) ground state of the species. The transition moments of several important dipole-allowed and spin-forbidden transitions are calculated and the radiative lifetimes of the excited states involved in the respective transitions are computed. Electric dipole moments (μ z) for some low-lying bound Λ-S states as well as a few low-lying spin-orbit states (Ω-states) are also calculated in the present study.

  6. 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...

  7. 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.

  8. The Property Tax in New York State: Condition Report Prepared for the Education Finance Research Consortium

    Science.gov (United States)

    Ward, Robert B.; Dadayan, Lucy

    2008-01-01

    New York's property tax is often criticized as burdensome and inequitable. This report analyzes changes in the property tax from 1993-2006 to assess its impact across regions, property classes and ability to pay. The study examines both statewide trends and variations in trends among local school districts, as well as the role of the School Tax…

  9. 22 CFR 3.9 - Disposal of gifts and decorations which become the property of the United States.

    Science.gov (United States)

    2010-04-01

    ... Standard Form 120, Report of Excess Personal Property and, as necessary, Standard Form 120A, Continuation... approval of the Secretary of State, upon a determination that the sale will not adversely affect the... aim of the Act is to discourage employees' acceptance of gifts of more than minimal value. ...

  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. 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 ...

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

    Science.gov (United States)

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

    2016-07-01

    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.

  13. State-Space Modeling of Dynamic Psychological Processes via the Kalman Smoother Algorithm: Rationale, Finite Sample Properties, and Applications

    Science.gov (United States)

    Song, Hairong; Ferrer, Emilio

    2009-01-01

    This article presents a state-space modeling (SSM) technique for fitting process factor analysis models directly to raw data. The Kalman smoother via the expectation-maximization algorithm to obtain maximum likelihood parameter estimates is used. To examine the finite sample properties of the estimates in SSM when common factors are involved, a…

  14. 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 variabl...

  15. Anode properties of magnesium hydride catalyzed with niobium oxide for an all solid-state lithium-ion battery.

    Science.gov (United States)

    Ikeda, Suguru; Ichikawa, Takayuki; Kawahito, Koji; Hirabayashi, Kazuhiro; Miyaoka, Hiroki; Kojima, Yoshitsugu

    2013-08-18

    The anode properties of pristine MgH2 and MgH2 catalyzed with Nb2O5 have been investigated for an all solid-state lithium-ion battery. The catalytic effect stabilizes the plateau voltage as a result of kinetic improvement of the hydrogen transfer from the Mg phase to the Li phase.

  16. Resonances in the continuum, field induced nonstationary states, and the state and property specific treatment of the many electron problem

    CERN Document Server

    Nicolaides, Cleanthes A

    2016-01-01

    The paper summarizes elements of theories and computational methods that we have constructed and applied over the years for the nonperturbative solution of many electron problems, in the absence or presence of strong external fields, concerning resonance and nonstationary states with a variety of electronic structures.

  17. Photon pair-state preparation with tailored spectral properties by spontaneous four-wave mixing in photonic-crystal fiber.

    Science.gov (United States)

    Garay-Palmett, K; McGuinness, H J; Cohen, Offir; Lundeen, J S; Rangel-Rojo, R; U'ren, A B; Raymer, M G; McKinstrie, C J; Radic, S; Walmsley, I A

    2007-10-29

    We study theoretically the generation of photon pairs by spontaneous four-wave mixing (SFWM) in photonic crystal optical fiber. We show that it is possible to engineer two-photon states with specific spectral correlation ("entanglement") properties suitable for quantum information processing applications. We focus on the case exhibiting no spectral correlations in the two-photon component of the state, which we call factorability, and which allows heralding of single-photon pure-state wave packets without the need for spectral post filtering. We show that spontaneous four wave mixing exhibits a remarkable flexibility, permitting a wider class of two-photon states, including ultra-broadband, highly-anticorrelated states.

  18. 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.”

  19. Properties and Acceleration Mechanism of Cement Mortar Added with Low Alkaline Liquid State Setting Accelerator

    Institute of Scientific and Technical Information of China (English)

    PAN Zhihua; WANG Xuebing; LIU Weiqing

    2014-01-01

    Low alkaline liquid state setting accelerator(LSA) for Portland cement was prepared in laboratory from aqueous solution of several inorganic sulfate salts and some organic chemical substances. Properties of cement with addition of LSA relating to its setting time and strength development as well as its resistance to sulfate attack for short and long term exposure were experimentally examined. The experimental results showed that 5%-7%addition of LSA significantly accelerated the initial and final setting of Portland cement in the presence or absence of the blending of mineral admixtures, the initial and final setting time being less than 3 min and 6 min respectively. Meanwhile, the early 1 day curing age compressive strength increased remarkably by 20%, while the late 28th day curing age compressive strength remained almost unchanged as compared with that of the reference accelerator free cement mortar specimen. Furthermore, mortar specimens of cement added with LSA and exposed to 5%Na2SO4 solution showed their excellent resistance to sulfate attack, with their short and long term curing age resistance coefficient to sulfate attack being around 1.04 to 1.17, all larger than 1.0. XRD analysis on hardened cement paste specimens at very early curing ages of several minutes disclosed the existence of more ettringite in specimens added with LSA than that of the reference specimens, meanwhile SEM observation also revealed the existence of well crystallized ettringite at very early hydration stage, suggesting that the accelerated setting of Portland cement can be attributed to the early and rapid formation of ettringite over the whole cement paste matrix due to the introduction of LSA. MIP measurement revealed that hardened cement paste specimens with the addition of LSA presented less medium diameter pores, more proportion of small pores and less proportion of large capillary pores, which is in a very good coincidence with the improvement of strength development of

  20. 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.

  1. 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.

  2. Property.

    Science.gov (United States)

    Piele, Philip K.

    Chapter 7 of a book on school law, this chapter deals with 1979 cases involving disputes over property. Cases involving taxpayer attempts to prevent the construction of school buildings dominate this year's property chapter, as they did last year's. Yet, paradoxically, there is also a significant increase in cases in which taxpayers tried to…

  3. Excited state properties of the astaxanthin radical cation: A quantum chemical study

    Science.gov (United States)

    Dreuw, Andreas; Starcke, Jan Hendrik; Wachtveitl, Josef

    2010-07-01

    Using time-dependent density functional theory, the excited electronic states of the astaxanthin radical cation (AXT rad + ) are investigated. While the optically allowed excited D 1 and D 3 states are typical ππ∗ excited states, the D 2 and D 4 states are nπ∗ states. Special emphasis is put onto the influence of the carbonyl groups onto the excited states. For this objective, the excited states of four hypothetical carotenoids and zeaxanthin have been computed. Addition of a carbonyl group to a conjugated carbon double bond system does essentially not change the vertical excitation energies of the optically allowed ππ∗ states due to two counter-acting effects: the excitation energy should increase due to the -M-effect of the carbonyl group and at the same time decrease owing to the elongation of the conjugated double bond system by the carbonyl group itself.

  4. Excited state properties of the astaxanthin radical cation: A quantum chemical study

    Energy Technology Data Exchange (ETDEWEB)

    Dreuw, Andreas, E-mail: andreas.dreuw@theochem.uni-frankfurt.de [Institute of Physical and Theoretical Chemistry, Goethe-University Frankfurt, Max von Laue-Str. 7, 60438 Frankfurt am Main (Germany); Starcke, Jan Hendrik; Wachtveitl, Josef [Institute of Physical and Theoretical Chemistry, Goethe-University Frankfurt, Max von Laue-Str. 7, 60438 Frankfurt am Main (Germany)

    2010-07-19

    Using time-dependent density functional theory, the excited electronic states of the astaxanthin radical cation (AXT{sup {center_dot}+}) are investigated. While the optically allowed excited D{sub 1} and D{sub 3} states are typical {pi}{pi}* excited states, the D{sub 2} and D{sub 4} states are n{pi}* states. Special emphasis is put onto the influence of the carbonyl groups onto the excited states. For this objective, the excited states of four hypothetical carotenoids and zeaxanthin have been computed. Addition of a carbonyl group to a conjugated carbon double bond system does essentially not change the vertical excitation energies of the optically allowed {pi}{pi}* states due to two counter-acting effects: the excitation energy should increase due to the -M-effect of the carbonyl group and at the same time decrease owing to the elongation of the conjugated double bond system by the carbonyl group itself.

  5. Structure-property correlation study through sum-over-state approach

    Science.gov (United States)

    Nandi, P. K.; Hatua, K.; Bansh, A. K.; Panja, N.; Ghanty, T. K.

    2015-01-01

    The use of Thomas Kuhn (TK) sum rule in the expanded sum-over-state (SOS) expression of hyperpolarizabilities leads to various relationships between different order of polarizabilities and ground state dipole moment etc.

  6. 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…

  7. Intermediate-spin state and properties of LaCoO3

    NARCIS (Netherlands)

    Korotin, MA; Ezhov, SY; Solovyev, [No Value; Anisimov, [No Value; Khomskii, DI; Sawatzky, GA

    1996-01-01

    The electronic structure of the perovskite LaCoO3 for different spin states of Co ions was calculated in the local-density approximation LDA+U approach. The ground state is found to be a nonmagnetic insulator with Co ions in a low-spin state. Somewhat higher in energy, we find two intermediate-spin

  8. Ring-shaped silafluorene derivatives as efficient solid-state UV-fluorophores: synthesis, characterization, and photoluminescent properties.

    Science.gov (United States)

    Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S; Albright, Haley; Guzei, Ilia A; Hu, Rongrong; Zhang, Chaocan; West, Robert

    2014-10-20

    Four ring-shaped silafluorene-containing compounds (1-4) were synthesized and characterized as potentially promising monomers for fluorescent polymers. Their optical properties in solution and solid state (thin film and powder) were studied. These compounds have low quantum yields in solution (Φ(fl)=0.13-0.15) with fluorescence maxima at about 355 nm, but high quantum yields in the solid state (powder, Φ(fl)=0.35-0.54) with fluorescence maxima at about 377 and 488 nm. Influence of the substituents and the number of silafluorene units in 1-4 on their optical properties was investigated. Extensive study of the X-ray crystal structures of 1-4 was undertaken to analyze and qualitatively estimate the role, extent, and influence of silafluorene moieties' interactions on solid-state fluorescent properties. Excited state UV/Vis and theoretical molecular orbital (MO) calculations were performed to explore possible fluorescence mechanisms and differences in quantum yields among these compounds.

  9. 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.

  10. Masses, Deformations and Charge Radii--Nuclear Ground-State Properties in the Relativistic Mean Field Model

    CERN Document Server

    Geng, L S; Meng, J

    2005-01-01

    We perform a systematic study of the ground-state properties of all the nuclei from the proton drip line to the neutron drip line throughout the periodic table employing the relativistic mean field model. The TMA parameter set is used for the mean-field Lagrangian density, and a state-dependent BCS method is adopted to describe the pairing correlation. The ground-state properties of a total of 6969 nuclei with $Z,N\\ge 8$ and $Z\\le 100$ from the proton drip line to the neutron drip line, including the binding energies, the separation energies, the deformations, and the rms charge radii, are calculated and compared with existing experimental data and those of the FRDM and HFB-2 mass formulae. This study provides the first complete picture of the current status of the descriptions of nuclear ground-state properties in the relativistic mean field model. The deviations from existing experimental data indicate either that new degrees of freedom are needed, such as triaxial deformations, or that serious effort is ne...

  11. Structures, mechanical properties, equations of state, and electronic properties of β-HMX under hydrostatic pressures: a DFT-D2 study.

    Science.gov (United States)

    Peng, Qing; Rahul; Wang, Guangyu; Liu, Gui-Rong; De, Suvranu

    2014-10-07

    We report the hydrostatic compression studies of the β-polymorph of a cyclotetramethylene tetranitramine (HMX) energetic molecular crystal using DFT-D2, a first-principles calculation based on density functional theory (DFT) with van der Waals (vdW) corrections. The molecular structure, mechanical properties, electronic properties, and equations of state of β-HMX are investigated. For the first time, we predict the elastic constants of β-HMX using DFT-D2 studies. The equations of state under hydrostatic compression are studied for pressures up to 100 GPa. We found that the N-N bonds along the minor axis are responsible for the sensitivity of β-HMX. The analysis of the charge distribution shows that the electronic charge is transferred from hydrogen atoms to nitro groups with the amount of 0.131 and 0.064e for the nitro groups along the minor axis and major axis, respectively, when pressure changes from 0 GPa to 100 GPa. The electronic energy band gap changes from direct at a pressure of 0 GPa to indirect at a pressure of 50 GPa and higher. The band gap decreases with respect to an increase in pressure, implying that the impact sensitivity increases with compression. Our study suggests that the van der Waals interactions are critically important in modeling the mechanical properties of this molecular crystal.

  12. 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.

  13. Compositional constraints on the equation of state and thermal properties of the lower mantle

    Science.gov (United States)

    Stacey, Frank D.; Isaak, Donald G.

    2001-07-01

    By extrapolating the lower mantle equation of state (EoS) to P=0, T=290K, we determine the EoS parameters that are compatible with a mixture of (Mg,Fe)SiO3 perovskite (with a small admixture of Al2O3), (Mg,Fe)O magnesiowüstite and CaSiO3 perovskite in arbitrary proportions and with arbitrary Fe/(Fe+Mg) ratio. The parameters fitted are density, ρ, adiabatic incompressibility, KS, and its pressure derivative, K'S≡(∂KS/∂P)S. The first stage is adiabatic extrapolation to P=0, T=T0, that is, to the foot of the lower mantle adiabat, at which K'0(T0) is allowed to have any value between 3.8 and 4.6, and 1500Kcoefficient of thermal expansion, α adiabatic Anderson-Grüneisen parameter, δS=(1/α) (∂ ln KS/∂T)P and the mixed P,T derivative (∂K'S/∂T)P. The heat capacity at constant volume, CV, is assumed to follow the Debye function, so α is controlled by that. The temperature dependences of the dimensionless parameters γ, q and δS at P=0 are slight. We find γ to be precisely independent of T at constant V. The parameter dK'0/dT increases strongly with T, as well as with the assumed value of K'0(T0), where K'0 is K'S at P=0. The fitting disallows significant parameter ranges. In particular, we find solutions only if K'0(T0)>=4.2 and the 290K value of K'0 for Mg perovskite is less than 3.8. Conclusions about composition are less secure, partly because of doubt about individual mineral properties. The volume of magnesiowüstite is found to be between 10 and 25 per cent for respective T0 values of 2000 and 1500K, but the Ca-perovskite volume is no more than 6 per cent and has little influence on the other conclusions. The resulting overall Fe/(Fe+Mg) ratio is 0.12 to 0.15. Although this ratio is higher than expected for a pyrolite composition, the ratio depends critically on the assumed mineral densities; some adjustment of the mineral mix may need to be considered.

  14. A Study of Position-Sensitive Solid-State Photomultiplier Signal Properties.

    Science.gov (United States)

    Schmall, Jeffrey P; Du, Junwei; Judenhofer, Martin S; Dokhale, Purushottam; Christian, James; McClish, Mickel; Shah, Kanai S; Cherry, Simon R

    2014-06-12

    We present an analysis of the signal properties of a position-sensitive solid-state photomultiplier (PS-SSPM) that has an integrated resistive network for position sensing. Attractive features of PS-SSPMs are their large area and ability to resolve small scintillator crystals. However, the large area leads to a high detector capacitance, and in order to achieve high spatial resolution a large network resistor value is required. These inevitably create a low-pass filter that drastically slows what would be a fast micro-cell discharge pulse. Significant changes in the signal shape of the PS-SSPM cathode output as a function of position are observed, which result in a position-dependent time delay when using traditional time pick-off methods such as leading edge discrimination and constant fraction discrimination. The timing resolution and time delay, as a function of position, were characterized for two different PS-SSPM designs, a continuous 10 mm × 10 mm PS-SSPM and a tiled 2 × 2 array of 5 mm × 5 mm PS-SSPMs. After time delay correction, the block timing resolution, measured with a 6 × 6 array of 1.3 × 1.3 × 20 mm(3) LSO crystals, was 8.6 ns and 8.5 ns, with the 10 mm PS-SSPM and 5 mm PS-SSPM respectively. The effect of crystal size on timing resolution was also studied, and contrary to expectation, a small improvement was measured when reducing the crystal size from 1.3 mm to 0.5 mm. Digital timing methods were studied and showed great promise for allowing accurate timing by implementation of a leading edge time pick-off. Position-dependent changes in signal shape on the anode side also are present, which complicates peak height data acquisition methods used for positioning. We studied the effect of trigger position on signal amplitude, flood histogram quality, and depth-of-interaction resolution in a dual-ended readout detector configuration. We conclude that detector timing and positioning can be significantly improved by implementation of digital timing

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

    Directory of Open Access Journals (Sweden)

    D. Liu

    2012-11-01

    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 the gf

  16. Ground-State Properties of C, O, and Ne Isotopes in Hartree-Fock-Bogoliubov Calculation with Gogny Interaction

    Institute of Scientific and Technical Information of China (English)

    GUO Lu; ZHAO En-Guang; SAKATA Fumihiko

    2003-01-01

    Ground-state.properties of C, O, and Ne isotopes are described in the framework of Hartree-FockBogoliubov theory with density-dependent finite-range Gogny interaction D1S. We include all the contributions to the Hartree-Fock and pairing field arising from Gogny and Coulomb interaction as well as the center of mass correction in the numerical calculations. These ground-state properties of C, O, and Ne isotopes are compared with available experimental results, Hartree-Fock plus BCS, shell model and relativistic Hartree-Bogoliubov calculations. The agreement between experiments and our theoretical results is pretty well. The predicted drip-line is dependent strongly on the model and effective interaction due to their sensitivity to various theoretical details. The calculations predict no evidence for halo structure predicted for C, O, and Ne isotopes in a previous RHB study.

  17. Ground-State Properties ,of C, O, and Ne Isotopes in Hartree--Fock-Bogoliubov Calculation with Gogny Interaction

    Institute of Scientific and Technical Information of China (English)

    GUOLu; ZHAOEn-Guang; SAKATAFumihiko

    2003-01-01

    Ground-state properties of C, O, and Ne isotopes are described in the framework of Hartree-Fock-Bogoliubov theory with density-dependent finite-range Gogny interaction D1S. We include all the contributions to the Hartree-Fock and pairing feld arising from Gogny and Coulomb interaction as well as the center of mass correction in the numerical calcu/ations. These ground-state properties of C, O, and Ne isotopes are compared with available experimental results, Hartree-Fock plus BCS, shell model and relativistic Hartree--Bogoliubov calculations. The agreement between experiments and our theoretical results is pretty well. The predicted drip-line is dependent strongly on the model and effective interaction due to their sensitivity to various theoretical details. The calculations predict no evidence for halo structure predicted for C,O, and Ne isotopes in a previous RHB study.

  18. Two-mode excited entangled coherent states and their entanglement properties

    Institute of Scientific and Technical Information of China (English)

    Zhou Dong-Lin; Kuang Le-Man

    2009-01-01

    This paper introduces two types of two-mode excited entangled coherent states(TMEECSs)|Ψ±(α,m,n)>,studies their entanglement characteristics,and investigates the influence of photon excitations on quantum entanglement.It shows that for the state|Ψ+(α,m,m)>the two-mode photon excitations affect seriously entanglement character while the state |Ψ-(α,m,m)>is always a maximally entangled state,and shows how such states can be produced by using cavity quantum electrodynamics and quantum measurements.It finds that the entanglement amount of the TMEECSs is larger than that of the single-mode excited entangled coherent states with the same photon excitation number.

  19. Role of band states and trap states in the charge transport properties of organic semiconductors (Conference Presentation)

    Science.gov (United States)

    Coropceanu, Veaceslav

    2016-11-01

    In this contribution, we examine the main factors that define charge transport in organic semiconductors. We consider both crystals based on a single molecule building block, such as oligoacenes, and two-component donor-acceptor crystals in which one component acts as an electron donor and the other as an acceptor. We will first discuss the state-of-the-art methodologies used in the derivation of the microscopic parameters (electron-vibration couplings, transfer integrals, band gaps, bandwidths, and effective masses) describing charge transport. In particular, we will discuss the impact that the amount of nonlocal Hartree-Fock exchange included in a hybrid density functional has on these parameters. In order to understand the role of disorder we use a combination of electronic-structure calculations and molecular mechanics/molecular dynamics simulations complemented by ensemble and time average approaches to separate the static and dynamic disorder components. The temperature dependence of the charge carrier mobility is studied by treating the electron-phonon interaction as a perturbation (Boltzmann theory), in the static approximation (Kubo formalism) and in the framework of mixed quantum/classical dynamics. Finally, based on the results of the kinetic Monte Carlo simulations we will 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.

  20. Right-of-Way Acquisition and Property Condemnation: A Comparison of U.S. State Laws

    OpenAIRE

    Hakimi, Shadi; Kockelman, Kara M.

    2005-01-01

    Recommendations for improvements in U.S. right-of-way (ROW) acquisition processes should consider the environmental, social, political, and economic characteristics of individual states. These characteristics are reflected in state statutes and constitutions, which place restrictions on ROW staff in applying recommended strategies. This work compares state condemnation statutes, noting their weaknesses and strengths. It recommends modifications to current laws to expedite the acquisition proc...

  1. Terzan 5 transient IGR J17480-2446: variation of burst and spectral properties with spectral states

    CERN Document Server

    Chakraborty, Manoneeta; Mukherjee, Arunava

    2011-01-01

    We study the spectral state evolution of the Terzan 5 transient neutron star low-mass X-ray binary IGR J17480-2446, and how the best-fit spectral parameters and burst properties evolved with these states, using the Rossi X-ray Timing Explorer data. This is the second source which showed transitions between atoll state and `Z' state. We find hysteresis in the almost `C'-like hardness-intensity track of the source in the atoll state. Moreover, the source took at least a month to trace the softer banana state, as opposed to a few hours to a day, which is typical for an atoll source. Therefore, IGR J17480-2446, and two other sources, viz., EXO 1745-248 and Aql X-1 with hysteresis hardness-intensity tracks indicate that (1) the non-hysteresis `C'-like tracks of atolls might be a special case of a more general hysteresis behaviour, and (2) the spectral state evolution of neutron star systems and black hole systems might have a common origin. From the detailed spectral fitting we conclude that a blackbody+powerlaw m...

  2. Pressure--volume--temperature properties of perfluorocyclobutane: equations of state, virial coefficients, and intermolecular potential energy functions

    Energy Technology Data Exchange (ETDEWEB)

    Douslin, D.R.; Moore, R.T.; Waddington, G.

    1959-11-01

    Studies of the pressure-volume-temperature properties of perfluorocyclobutane, in the ranges 3-394 atm and 30-350/sup 0/, yielded values of gas compressibility, critical constants, vapor pressure and orthobaric liquid and vapor densities. The results were correlated by the Beattie Bridgeman, Benedict Webb Rubin, and Martin-Hou equations of state and by the Stockmayer and the Kihara intermolecular potential energy functions. The merits of the several correlational methods are discussed.

  3. A three-dimensional sectional representation of aerosol mixing state for simulating optical properties and cloud condensation nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Ping Pui; Zaveri, Rahul A.; Easter, Richard C.; Riemer, Nicole; Fast, Jerome D.

    2016-05-27

    Light absorption by black carbon (BC) particles emitted from fossil fuel combustion depends on the how thickly they are coated with non-refractory species such as ammonium, sulfate, nitrate, organics, and water. The cloud condensation nuclei (CCN) activation property of a particle depends on its dry size and the hygroscopicities of all the individual species mixed together. It is therefore necessary to represent both size and mixing state of aerosols to reliably predict their climate-relevant properties in atmospheric models. Here we describe and evaluate a novel sectional framework in the Model for Simulating Aerosol Interactions and Chemistry, referred to as MOSAIC-mix, that represents the mixing state by resolving aerosol dry size (Ddry), BC dry mass fraction (wBC), and hygroscopicity (κ). Using ten idealized urban plume scenarios in which different types of aerosols evolve over 24 hours under a range of atmospherically relevant environmental conditions, we examine errors in CCN concentrations and optical properties with respect to a more explicit aerosol mixing state representation. We find that only a small number of wBC and κ bins are needed to achieve significant reductions in the errors, and propose a configuration consisting of 24 Ddry bins, 2 wBC bins, and 2 κ bins that gives 24-hour average errors of about 5% or less in CCN concentrations and optical properties, 3-4 times lower than those from size-only-resolved simulations. These results show that MOSAIC-mix is suitable for use in regional and global models to examine the effects of evolving aerosol mixing states on aerosol-radiation-cloud feedbacks.

  4. A Review of the Properties of Nb3Sn and Their Variation with A15Composition, Morphology and Strain State

    Energy Technology Data Exchange (ETDEWEB)

    Godeke, Arno

    2006-03-27

    Significant efforts can be found throughout the literature to optimize the current carrying capacity of Nb{sub 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 accurately possible 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{sub 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{sub 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 this 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 briefly summarized.This is followed by a review on the effects of grain size and strain. The article is concluded with a summary of the main results.

  5. 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.

  6. Classification of 4-qubit Entangled Graph States According to Bipartite Entanglement, Multipartite Entanglement and Non-local Properties

    Science.gov (United States)

    Assadi, Leila; Jafarpour, Mojtaba

    2016-07-01

    We use concurrence to study bipartite entanglement, Meyer-Wallach measure and its generalizations to study multi-partite entanglement and MABK and SASA inequalities to study the non-local properties of the 4-qubit entangled graph states, quantitatively. Then, we present 3 classifications, each one in accordance with one of the aforementioned properties. We also observe that the classification according to multipartite entanglement does exactly coincide with that according to nonlocal properties, but does not match with that according to bipartite entanglement. This observation signifies the fact that non-locality and multipartite entanglement enjoy the same basic underlying principles, while bipartite entanglement may not reveal the non-locality issue in its entirety.

  7. Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation

    Science.gov (United States)

    Ericson, Fredric; Honarfar, Alireza; Prakash, Om; Tatsuno, Hideyuki; Fredin, Lisa A.; Handrup, Karsten; Chabera, Pavel; Gordivska, Olga; Kjær, Kasper S.; Liu, Yizhu; Schnadt, Joachim; Wärnmark, Kenneth; Sundström, Villy; Persson, Petter; Uhlig, Jens

    2017-09-01

    The electronic structure and excited state properties of a series of iron carbene photosensitizers are elucidated through a combination of X-ray absorption measurements and density functional theory calculations. The X-ray absorption spectra are discussed with regard to the unusual bonding environment in these carbene complexes, highlighting the difference between ferrous and ferric carbene complexes. The valence electronic structure of the core excited FeIII - 3d5 complex is predicted by calculating the properties of a CoIII - 3d6 carbene complex using the Z+1 approximation. Insight is gained into the potential of sigma-donating ligands as strategy to tune properties for light harvesting applications.

  8. Forest property rights, the role of the state, and intitutional exigency

    OpenAIRE

    2003-01-01

    The assumed reasons provided for the current grim situation in Ethiopian forestry are diverse. This study identified forest property rights as the most important (defining) research entry point to understand the problem. The aim was to generate knowledge by studying past experiences and contemporary outcomes in forest property rights and draw lessons for the future. Moreover, through interviews, the study attempted to capture the experiences and perceptions, responses and preferences (in fore...

  9. Electrical, optical, and magnetic properties of organic solid-state materials IV. Materials Research Society, symposium proceedings Volume 488

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, J.R.; Jen, A.K.Y.; Rubner, M.F.; Chiang, L.Y.; Dalton, L.R. [eds.

    1998-07-01

    The symposium, Electrical, Optical, and Magnetic Properties of Organic Solid-State Materials IV, was sponsored by the Materials Research Society and held December 1--5, 1997, in Boston, Massachusetts. Early studies of charge transport in conducting polymers have evolved from the elucidation of fundamental structure/function relationships to applications as batteries, simple electrical devices such as diodes, chemical sensors, antistatic coatings, microwave and millimeter wave-absorbing materials, and photochromic devices. A particularly exciting evolution has been the discovery and development of organic light-emitting diodes (OLEDs) which appear to be nearing commercialization in an amazingly short period of time. This application is of particular interest because both electrical and optical properties must be considered, and these have been important parallel themes of the conference. Moreover, nanostructure control is important for OLEDs, and nanoscale architectural engineering has been an increasingly important theme of the conference. Indeed, not only has the study of conjugated (quasidelocalized) electrons in organic solid-state materials resulted in interesting physical properties and device applications, but the desire to exploit these properties has promoted the development of new synthesis and processing methodologies to achieve special nanoscale and microscale structures. One hundred five papers have been processed separately for inclusion on the data base.

  10. The Effects of Groundnut Shell Addition on The Insulating Properties of Clay Samples From Kogi State Nigeria

    Directory of Open Access Journals (Sweden)

    Manukaji John U

    2013-01-01

    Full Text Available Clay samples from three towns in Kogi state were examined with the aim of determining their chemical composition as well as testing for their suitability as refractory insulating materials for local furnaces. Refractories are required for many other industries in Nigeria like in chemical, ceramic, petrochemical, oil,foundry and iron and steel industries. The presence of air in these pores reduces the conductive capacity of the refractories and therefore increasing their insulating characteristics. Apart from the natural occurring fire clays which has been adjudged an insulating refractories, other clays can have their insulating characteristics improved by the addition of materials like saw dust, rice husks and other farm wastes. Experiments were carried out to determine how the addition of groundnut shell could improve the refractory properties of clay samples from Kogi State. The experiments were carried out on the four mechanical properties that enhance the insulating properties of clay which are linear shrinkage, thermal conductivity, apparent porosity and solid density .The results showed significant improvement in these properties

  11. Summary of property damage control programs of the United States Department of Energy CY 1979

    Energy Technology Data Exchange (ETDEWEB)

    Dix, George P.; Maybee, Walter W.

    1980-10-01

    Calendar year 1979 was the second full year of operation of the Department of Energy. This report summarizes the loss experience in overall terms and itemizes facility and program achievements in property protection. Planned projects for CY 1980 are included and several subjects of interest to loss-control specialists are discussed in detail. Property damage from all causes was $2.5 million, of which $0.65 million was due to fire, the major cause of losses in both the Department of Energy and its predecessor agencies. Combined losses for the 2 full years of Department of Energy experience total over $20 million, of which over $13 million is due to fire. The fire loss ratio for 1979 was 0.13 cents for each $100 of property values at risk, more than an order-of-magnitude less than that expeienced by the better class of insured private property. Final decontamination and cleanup costs necessitated by a product spill at a solvent-refined coal pilot plant at the end of 1979 may exceed $2 million. Even including this estimate, the total loss from all causes (fire, explosion, mechanical or electrical damage, acts of nature, radioactive and non-radioactive contamination/cleanup costs, and a variety of miscellaneous causes), would yield a loss ratio of about 1 cent for each $100 of property. This indicated the overall property protection program is exemplary.

  12. Steady-state properties of a finite system driven by a chemical-potential gradient

    DEFF Research Database (Denmark)

    Andersen, Jørgen Vitting; Mouritsen, Ole G.

    1990-01-01

    A two-dimensional lattice-gas model with repulsive interactions periodically infinite in one dimension and finite in the other is driven into a mass-transporting steady state by asymmetric chemical potentials applied at the open edges. By computer-simulation techniques the steady-state current...

  13. Measuring fluctuations in paranoia: Validity and psychometric properties of brief state versions of the Paranoia Checklist.

    Science.gov (United States)

    Schlier, Björn; Moritz, Steffen; Lincoln, Tania M

    2016-07-30

    Research increasingly assesses momentary changes in paranoia in order to elucidate causal mechanisms. Observed or manipulated changes in postulated causal factors should result in fluctuations in state paranoid ideation. Previous studies often employed a state-adapted Paranoia Checklist (Freeman et al., 2005) to measure state paranoia. This study examined whether the Paranoia Checklist or subsets of its items are appropriate for this purpose. Thirteen studies (N=860) were subjected to meta-analyses of each Paranoia Checklist item. We selected items based on (1) whether they showed pre-to-post change in the expected direction and (2) whether this effect was larger in experimental vs. control conditions. All resulting item selections were cross-validated on a hold-out sample (n=1893). Finally, we explored how much variation in paranoia was captured by the state-adapted version in a brief ambulatory assessment study (N=32). A thirteen item State Paranoia Checklist as well as a five item and a three item Brief State Paranoia Checklist were extracted. Cross validation revealed better model fit and increased sensitivity to change. Multilevel analysis indicated 25-30% of the variance in the Brief State Paranoia Checklists to be due to intra-individual daily fluctuations in paranoia. Our analyses produced reliable and valid revised scales. Increases in change sensitivity indicate that future assessment of state paranoia in experimental and ambulatory assessment studies can be optimized by using the revised scales.

  14. Universal properties of the FQH state from the topological entanglement entropy and disorder effects

    Science.gov (United States)

    Jiang, Na; Li, Qi; Zhu, Zheng; Hu, Zi-Xiang

    2017-09-01

    The topological entanglement entropy (TEE) is a robust measurement of the quantum many-body state with topological order. In fractional quantum Hall (FQH) state, it has a connection to the quantum dimension of the state itself and its quasihole excitations from the conformal field theory (CFT) description. We study the entanglement entropy (EE) in the Moore-Read (MR) and Read-Rezayi (RR) FQH states. The non-Abelian quasihole excitation induces an extra correction of the TEE which is related to its quantum dimension. With considering the effects of the disorder, the ground state TEE is stable before the spectral gap closing and the level statistics seems to have significant change with a stronger disorder, which indicates a many-body localization (MBL) transition.

  15. Singlet and triplet excited state properties of natural chlorophylls and bacteriochlorophylls

    Energy Technology Data Exchange (ETDEWEB)

    Niedzwiedzki, Dariusz; Blankenship, R. E.

    2010-11-18

    Ten naturally occurring chlorophylls (a, b, c{sub 2}, d) and bacteriochlorophylls (a, b, c, d, e, g) were purified and studied using the optical spectroscopic techniques of both steady state and time-resolved absorption and fluorescence. The studies were carried out at room temperature in nucleophilic solvents in which the central Mg is hexacoordinated. The comprehensive studies of singlet excited state lifetimes show a clear dependency on the structural features of the macrocycle and terminal substituents. The wide-ranging studies of triplet state lifetime demonstrate the existence of an energy gap law for these molecules. The knowledge of the dynamics and the energies of the triplet state that were obtained in other studies allowed us to construct an energy gap law expression that can be used to estimate the triplet state energies of any (B)chlorophyll molecule from its triplet lifetime obtained in a liquid environment.

  16. 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

  17. Effect of midgap defect states on the optical properties of Ge20Se70Te10 nano colloids

    Science.gov (United States)

    Cheruvalath, Ajina; Sebastian, Indu; Sebastian, Mathew; Nampoori, V. P. N.; Thomas, Sheenu

    2017-10-01

    In this work, we report the linear and nonlinear optical studies on a pseudo binary chalcogenide glass of composition Ge20 Se70 Te10 in its nano colloidal form. The possibility of tuning the band gap, nonlinear refractive index and nonlinear absorption of the material by changing the glass loading in the colloid has been revealed. A red shift in the band edge along with an intermediate peak in the band tail due to defect states is observed with increasing concentration. Photoluminescence studies confirm the existence of intermediate defect states in the bandgap. Nonlinear properties analyzed with open and closed aperture z scan technique reveal that the nonlinear refraction enhances due to resonant effects as the band gap of the colloid gets near the one photon absorption edge. The nonlinear absorption is prominent in the concentrated sample due to the presence of defect states which acts as an intermediate level in two step photon absorption.

  18. Ground state properties of spinless extended Falicov-Kimball model on a triangular lattice with finite magnetic field

    Science.gov (United States)

    Yadav, Umesh K.

    2017-07-01

    Combined effects of correlated electron hopping, electron correlations and orbital magnetic field are studied on ground state properties of spinless Falicov-Kimball model (FKM). Results are obtained for finite size triangular lattice with periodic boundary conditions using numerical diagonalization and Monte-Carlo simulation techniques. It is found that the ground state configurations of electrons strongly depend on correlated electron hopping, onsite Coulomb interaction and orbital magnetic field. Several interesting configurations e.g. regular, segregated, axial and diagonal striped and hexagonal phases are found with change in correlated hopping and magnetic field. Study of density of states reveals that magnetic field induces a metal to insulator transition accompanied by segregated phase to an ordered phase. These results are applicable to the systems of recent interest like GdI2, NaTiO2 and MgV2O4 and can also be seen experimentally in cold atomic set up.

  19. Prediction of transport properties of dense gases and liquids by the Peng-Robinson (PR) equation of state

    Science.gov (United States)

    Sheng, W.; Chen, G.-J.; Lu, H.-C.

    1989-01-01

    An attempt is made in this work to combine the Enskog theory of transport properties with the simple cubic Peng-Robinson (PR) equation of state. The PR equation of state provides the density dependence of the equilibrium radial distribution function. A slight empirical modification of the Enskog equation is proposed to improve the accuracy of correlation of thermal conductivity and viscosity coefficient for dense gases and liquids. Extensive comparisons with experimental data of pure fluids are made for a wide range of fluid states with temperatures from 90 to 500 K and pressures from 1 to 740 atm. The total average absolute deviations are 2.67% and 2.02% for viscosity and thermal conductivity predictions, respectively. The proposed procedure for predicting viscosity and thermal conductivity is simple and straightforward. It requires only critical parameters and acentric factors for the fluids.

  20. Property and provenance study of fancy celadon samples excavated from the Noble Burials of the Yue State at Hongshan, China

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The Noble Burials of the Yue State at Hongshan in Wuxi City with many fancy burial objects were excavated by Archaeology Institute of Jiangsu Province and Xishan District Committee for Administration of Cultural Relics of China. It was appraised as one of the ten major archaeological excavations in 2004. Some precious ceramic samples excavated from this site are very important for studying the development history of Chinese ceramics, especially for studying the origin of porcelain. With the cooperation of Archaeology Institute of Nanjing Museum, the ceramic samples excavated from the Noble Burials of the Yue State at Hongshan were collected and systematically analyzed. Compared with the celadon samples produced in Yue-kiln site during later Eastern Han Dynasty (25–220 A.D.), some important topics such as the provenance and properties of the ceramic samples excavated from the Noble Burials of the Yue State at Hongshan were deeply studied.

  1. 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.

  2. 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.

  3. 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.

  4. 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...

  5. Increased firing irregularity as an emergent property of neural-state transition in monkey prefrontal cortex.

    Science.gov (United States)

    Sakamoto, Kazuhiro; Katori, Yuichi; Saito, Naohiro; Yoshida, Shun; Aihara, Kazuyuki; Mushiake, Hajime

    2013-01-01

    Flexible behaviors are organized by complex neural networks in the prefrontal cortex. Recent studies have suggested that such networks exhibit multiple dynamical states, and can switch rapidly from one state to another. In many complex systems such as the brain, the early-warning signals that may predict whether a critical threshold for state transitions is approaching are extremely difficult to detect. We hypothesized that increases in firing irregularity are a crucial measure for predicting state transitions in the underlying neuronal circuits of the prefrontal cortex. We used both experimental and theoretical approaches to test this hypothesis. Experimentally, we analyzed activities of neurons in the prefrontal cortex while monkeys performed a maze task that required them to perform actions to reach a goal. We observed increased firing irregularity before the activity changed to encode goal-to-action information. Theoretically, we constructed theoretical generic neural networks and demonstrated that changes in neuronal gain on functional connectivity resulted in a loss of stability and an altered state of the networks, accompanied by increased firing irregularity. These results suggest that assessing the temporal pattern of neuronal fluctuations provides important clues regarding the state stability of the prefrontal network. We also introduce a novel scheme that the prefrontal cortex functions in a metastable state near the critical point of bifurcation. According to this scheme, firing irregularity in the prefrontal cortex indicates that the system is about to change its state and the flow of information in a flexible manner, which is essential for executive functions. This metastable and/or critical dynamical state of the prefrontal cortex may account for distractibility and loss of flexibility in the prefrontal cortex in major mental illnesses such as schizophrenia.

  6. Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na{sub 3}VF{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [New Technologies—Research Center, University of West Bohemia, Univerzitni 8, 30614 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Azam, Sikander, E-mail: sikander.physicst@gmail.com [New Technologies—Research Center, University of West Bohemia, Univerzitni 8, 30614 Pilsen (Czech Republic)

    2014-05-01

    The electronic structure, charge density and Fermi surface of Na{sub 3}VF{sub 6} compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel–Vosko GGA (EVGGA) to treat the exchange correlation potential to solve Kohn–Sham equations. The calculation show that Na{sub 3}VF{sub 6} compound has metallic nature and the Fermi energy (E{sub F}) is assessed by overlapping of V-d state. The calculated density of states at the E{sub F} are about 18.655, 51.932 and 13.235 states/eV, and the bare linear low-temperature electronic specific heat coefficient (γ) is found to be 3.236 mJ/mol-K{sup 2}, 9.008 mJ/mol-K{sup 2} and 2.295 mJ/mol-K{sup 2} for LDA, GGA and EVGGA, respectively. The Fermi surface is composed of two sheets. The chemical bonding of Na{sub 3}VF{sub 6} compound is analyzed through the electronic charge density in the (1 1 0) crystallographic plane. The optical constants and thermal properties were also calculated and discussed. - Highlights: • DFT-FPLAPW method used for calculating the properties of investigated compounds. • For predicting the chemical bonding the charge density behavior is studied in 2D. • The optical properties were also calculated and analyzed. • The Fermi surface is composed of two bands crossing along the EF level. • The thermoelectric properties have also calculated.

  7. Investigation on the electronically excited state properties of multiwalled carbon nanotube (MDDA) in solution

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Sub-microsecond time-resolved absorption spectroscopy has been used to study the electronically excited state behavior of soluble multiwalled carbon nanotube (MWNTsCON((CH2)9- CH3)2, denoted as MDDA) in chloroform, toluene and cyclohexane. Following pulsed photo-excitation of MDDA at 355 nm, three major spectral components are clearly identified with the help of global analysis carried out over 7 representative kinetics curves from 450 to 700 nm. The solvent dependence of decay associated difference spectra (DADS) and the corresponding lifetimes help to assign these transient species to singlet state (S1), triplet state (T1) and charge-separated state (CS), respectively. Preliminary discussion had been made to explore the involved photophysical and electron transfer processes.

  8. Statistical Properties of Photon-Added Two-Mode Squeezed Coherent States

    Science.gov (United States)

    Wang, Zhen; Li, Heng-Mei; Yuan, Hong-Chun; Wan, Zhi-Long; Meng, Xiang-Guo

    2016-12-01

    The nonclassical and non-Gaussian quantum states—photon-added two-mode squeezed coherent states have been theoretically introduced by adding multiple photons to each mode of the two-mode squeezed coherent states. Starting from the new expression of two-mode squeezing operator in entangled states representation, the normalization factor is obtained, which is directly related to bivariate Hermite polynomials. The sub-Poissonian photon statistics, cross-correlation between two modes, partial negative Wigner function are observed, which fully reflect the nonclassicality of the target states. The negative Wigner function often display non-Gaussian distribution meanwhile. The investigations may provide experimentalists with some better references in quantum engineering.

  9. Reprogramming factor stoichiometry influences the epigenetic state and biological properties of induced pluripotent stem cells

    NARCIS (Netherlands)

    Carey, B.W.; Markoulaki, S.; Hanna, J.H.; Faddah, D.A.; Buganim, Y.; Kim, J.; Ganz, K.; Steine, E.J.; Cassady, J.P.; Creyghton, M.P.; Welstead, G.G.; Gao, Q.; Jaenisch, R.

    2011-01-01

    We compared two genetically highly defined transgenic systems to identify parameters affecting reprogramming of somatic cells to a pluripotent state. Our results demonstrate that the level and stoichiometry of reprogramming factors during the reprogramming process strongly influence the resulting pl

  10. Dynamical properties induced by state-dependent delays in photonic systems

    Science.gov (United States)

    Martínez-Llinàs, Jade; Porte, Xavier; Soriano, Miguel C.; Colet, Pere; Fischer, Ingo

    2015-06-01

    In many dynamical systems and complex networks time delays appear naturally in feedback loops or coupling connections of individual elements. Moreover, in a whole class of systems, these delay times can depend on the state of the system. Nevertheless, so far the understanding of the impact of such state-dependent delays remains poor with a particular lack of systematic experimental studies. Here we fill this gap by introducing a conceptually simple photonic system that exhibits dynamics of self-organised switching between two loops with two different delay times, depending on the state of the system. On the basis of experiments and modelling on semiconductor lasers with frequency-selective feedback mirrors, we characterize the switching between the states defined by the individual delays. Our approach opens new perspectives for the study of this class of dynamical systems and enables applications in which the self-organized switching can be exploited.

  11. Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo.

    Science.gov (United States)

    Booth, George H; Chan, Garnet Kin-Lic

    2012-11-21

    In this communication, we propose a method for obtaining isolated excited states within the full configuration interaction quantum Monte Carlo framework. This method allows for stable sampling with respect to collapse to lower energy states and requires no uncontrolled approximations. In contrast with most previous methods to extract excited state information from quantum Monte Carlo methods, this results from a modification to the underlying propagator, and does not require explicit orthogonalization, analytic continuation, transient estimators, or restriction of the Hilbert space via a trial wavefunction. Furthermore, we show that the propagator can directly yield frequency-domain correlation functions and spectral functions such as the density of states which are difficult to obtain within a traditional quantum Monte Carlo framework. We demonstrate this approach with pilot applications to the neon atom and beryllium dimer.

  12. Some properties of asymmetric Hopfield neural networks with finite time of transition between states

    Science.gov (United States)

    Suleimenov, Ibragim; Mun, Grigoriy; Panchenko, Sergey; Pak, Ivan

    2016-11-01

    There were implemented samples of asymmetric Hopfield neural networks which have finite time of transition from one state to another. It was shown that in such systems, various oscillation modes could occur. It was revealed that the oscillation of the output signal of certain neuron could be treated as extra logical variable, which describes the state of the neuron. Asymmetric Hopfield neural networks are described in terms of ternary logic. Such logic may be employed in image recognition procedure.

  13. Electronic structure and optical properties of rare earth hexaborides RB{sub 6} (R = La, Ce, Pr, Nd, Sm, Eu, Gd)

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Nirpendra [Department of Physics, Indian Institute of Technology Roorkee, Roorkee-247667 (India); Saini, Sapan Mohan [Department of Physics, Indian Institute of Technology Roorkee, Roorkee-247667 (India); Nautiyal, Tashi [Department of Physics, Indian Institute of Technology Roorkee, Roorkee-247667 (India); Auluck, S [Department of Physics, Indian Institute of Technology Roorkee, Roorkee-247667 (India)

    2007-08-29

    The optical and electronic properties of the rare earth hexaborides RB{sub 6} (R = La, Ce, Pr, Nd, Sm, Eu, Gd) are studied using the full potential linearized augmented plane wave method. To account better for the on-site f-electron correlation, we adopted the Coulomb corrected local spin density approximation (LSDA+U) to the exchange correlation functional in the calculations. Our electronic structure calculation shows the overlapping of R 5d states and B 2p states at the X symmetry point. The magnetic moment of the ferromagnetic rare earth hexaborides increases with increasing 4f occupation. The calculated reflectivity and optical conductivity spectra are in agreement with the experimental data, although the structures in the calculated optical spectra are sharper.

  14. 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

  15. 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

  16. A novel electronic configuration of the 5f states in {delta}-plutonium as revealed by the photo-electron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Wills, J.M.; Eriksson, O. E-mail: olle.eriksson@fysik.uu.se; Delin, A.; Andersson, P.H.; Joyce, J.J.; Durakiewicz, T.; Butterfield, M.T.; Arko, A.J.; Moore, D.P.; Morales, L.A

    2004-04-01

    We present a theoretical model, the mixed-level model, aiming at describing metals with very complex, strongly correlated, electronic structures. As a demonstration, it is applied to the electronic structure of {delta}-Pu. The model reproduces the electronic-structure related properties of this complex metal; in particular, the theory is capable of reproducing the valence band photoemission spectrum of {delta}-Pu. We also report new experimental photoemission spectra at several photon energies. Taken together, our results provide strong evidence that the electronic structure of {delta}-Pu involves a 5f shell with four electrons in a localized multiplet hybridizing with valence states, and approximately one 5f electron forming a completely delocalized band state.

  17. Genetic and serologic properties of Zika virus associated with an epidemic, Yap State, Micronesia, 2007.

    Science.gov (United States)

    Lanciotti, Robert S; Kosoy, Olga L; Laven, Janeen J; Velez, Jason O; Lambert, Amy J; Johnson, Alison J; Stanfield, Stephanie M; Duffy, Mark R

    2008-08-01

    Zika virus (ZIKV) is a mosquito-borne flavivirus first isolated in Uganda from a sentinel monkey in 1947. Mosquito and sentinel animal surveillance studies have demonstrated that ZIKV is endemic to Africa and Southeast Asia, yet reported human cases are rare, with Micronesia. We report the genetic and serologic properties of the ZIKV associated with this epidemic.

  18. 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

  19. 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.

  20. Conformational properties of the unfolded state of Im7 in nondenaturing conditions.

    Science.gov (United States)

    Pashley, Clare L; Morgan, Gareth J; Kalverda, Arnout P; Thompson, Gary S; Kleanthous, Colin; Radford, Sheena E

    2012-02-17

    The unfolded ensemble in aqueous solution represents the starting point of protein folding. Characterisation of this species is often difficult since the native state is usually predominantly populated at equilibrium. Previous work has shown that the four-helix protein, Im7 (immunity protein 7), folds via an on-pathway intermediate. While the transition states and folding intermediate have been characterised in atomistic detail, knowledge of the unfolded ensemble under the same ambient conditions remained sparse. Here, we introduce destabilising amino acid substitutions into the sequence of Im7, such that the unfolded state becomes predominantly populated at equilibrium in the absence of denaturant. Using far- and near-UV CD, fluorescence, urea titration and heteronuclear NMR experiments, we show that three amino acid substitutions (L18A-L19A-L37A) are sufficient to prevent Im7 folding, such that the unfolded state is predominantly populated at equilibrium. Using measurement of chemical shifts, (15)N transverse relaxation rates and sedimentation coefficients, we show that the unfolded species of L18A-L19A-L37A deviates significantly from random-coil behaviour. Specifically, we demonstrate that this unfolded species is compact (R(h)=25 Å) relative to the urea-denatured state (R(h)≥30 Å) and contains local clusters of hydrophobic residues in regions that correspond to the four helices in the native state. Despite these interactions, there is no evidence for long-range stabilising tertiary interactions or persistent helical structure. The results reveal an unfolded ensemble that is conformationally restricted in regions of the polypeptide chain that ultimately form helices I, II and IV in the native state.

  1. 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.

  2. Nicotine Content and Physical Properties of Large Cigars and Cigarillos in the United States.

    Science.gov (United States)

    Koszowski, Bartosz; Thanner, Meridith Hill; Pickworth, Wallace B; Taylor, Kenneth M; Hull, Lynn C; Schroeder, Megan J

    2017-03-04

    Cigars are combusted tobacco products consisting of filler, binder, and wrapper, which are derived from tobacco. Despite the abundance of literature on the composition of traditional combusted cigarettes, research is limited on the physical and chemical properties of cigars. Therefore, research on cigar properties may be useful to better understand their health impact. In this study, twenty large cigar and cigarillo products were characterized for physical properties (ie, weight, length, and diameter), filler nicotine content, and tobacco pH. Tobacco pH was used to calculate free nicotine content, free nicotine concentration, and percent free nicotine for all cigars using the Henderson-Hasselbach equation. An additional analysis was performed on a second batch of two large cigar and two cigarillo brands to determine within-brand consistency. All analyses were performed in triplicate. The initial analysis of the twenty cigars showed that cigars exhibited wide variation in product size and nicotine content, although tobacco pH was similar across cigars. Furthermore, in the two large cigar and cigarillo brands analyzed a second time, there was considerable within-brand variance in nicotine content and concentration between the first and second analyses. While only a small sample of commercially-available cigars was analyzed, our data suggest there is wide variability in nicotine content and some physical properties in the domestic cigar market. The data may help to inform potential future regulatory decisions related to these products. This study reveals some of the challenges to experimental cigar research and illustrates the need to characterize cigar products (eg, nicotine and tobacco content) before use in clinical studies. Additional studies and characterization of the physical and chemical properties of cigars may be useful to further understand these products' toxicity, abuse potential, and public health impact.

  3. Microwave solid state synthesis and luminescence properties of green-emitting Gd2O2S:Tb3+ phosphor

    Science.gov (United States)

    He, Can; Xia, Zhiguo; Liu, Quanlin

    2015-04-01

    Gd2-xO2S:xTb3+ phosphors were prepared by the microwave solid state method, and its phase formation and morphologies were studied by the X-ray powder diffraction (XRD) and scanning electron microscope (SEM) techniques. The photoluminescence (PL) properties, cathodoluminescence (CL) properties and PL thermal stability of the samples were investigated, which indicated that better luminescence properties can be obtained via the microwave method compared to the conventional high temperature solid-state method. The composition-optimized Gd1.85O2S:15%Tb3+ exhibited strong green emission peaking at 546 nm upon excitation at 254 nm with the CIE coordinates of (0.238, 0.382). Different electric voltage and current dependent CL spectra investigations of Gd1.85O2S:15%Tb3+ phosphor shows similar green spectral profile as PL emission and it also demonstrates the good luminescence stability suggesting its potential application as green emission component in cathode ray tube (CRT).

  4. Altered topological properties of functional network connectivity in schizophrenia during resting state: a small-world brain network study.

    Science.gov (United States)

    Yu, Qingbao; Sui, Jing; Rachakonda, Srinivas; He, Hao; Gruner, William; Pearlson, Godfrey; Kiehl, Kent A; Calhoun, Vince D

    2011-01-01

    Aberrant topological properties of small-world human brain networks in patients with schizophrenia (SZ) have been documented in previous neuroimaging studies. Aberrant functional network connectivity (FNC, temporal relationships among independent component time courses) has also been found in SZ by a previous resting state functional magnetic resonance imaging (fMRI) study. However, no study has yet determined if topological properties of FNC are also altered in SZ. In this study, small-world network metrics of FNC during the resting state were examined in both healthy controls (HCs) and SZ subjects. FMRI data were obtained from 19 HCs and 19 SZ. Brain images were decomposed into independent components (ICs) by group independent component analysis (ICA). FNC maps were constructed via a partial correlation analysis of ICA time courses. A set of undirected graphs were built by thresholding the FNC maps and the small-world network metrics of these maps were evaluated. Our results demonstrated significantly altered topological properties of FNC in SZ relative to controls. In addition, topological measures of many ICs involving frontal, parietal, occipital and cerebellar areas were altered in SZ relative to controls. Specifically, topological measures of whole network and specific components in SZ were correlated with scores on the negative symptom scale of the Positive and Negative Symptom Scale (PANSS). These findings suggest that aberrant architecture of small-world brain topology in SZ consists of ICA temporally coherent brain networks.

  5. Geobiochemistry of metabolism: Standard state thermodynamic properties of the citric acid cycle

    Science.gov (United States)

    Canovas, Peter A.; Shock, Everett L.

    2016-12-01

    Integrating microbial metabolism into geochemical modeling allows assessments of energy and mass transfer between the geosphere and the microbial biosphere. Energy and power supplies and demands can be assessed from analytical geochemical data given thermodynamic data for compounds involved in catabolism and anabolism. Results are reported here from a critique of the available standard state thermodynamic data for organic acids and acid anions involved in the citric acid cycle (also known as the tricarboxylic acid cycle or the Krebs cycle). The development of methods for estimating standard state data unavailable from experiments is described, together with methods to predict corresponding values at elevated temperatures and pressures using the revised Helgeson-Kirkham-Flowers (HKF) equation of state for aqueous species. Internal consistency is maintained with standard state thermodynamic data for organic and inorganic aqueous species commonly used in geochemical modeling efforts. Standard state data and revised-HKF parameters are used to predict equilibrium dissociation constants for the organic acids in the citric acid cycle, and to assess standard Gibbs energies of reactions for each step in the cycle at elevated temperatures and pressures. The results presented here can be used with analytical data from natural and experimental systems to assess the energy and power demands of microorganisms throughout the habitable ranges of pressure and temperature, and to assess the consequences of abiotic organic compound alteration processes at conditions of subsurface aquifers, sedimentary basins, hydrothermal systems, meteorite parent bodies, and ocean worlds throughout the solar system.

  6. 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...

  7. Sulfur and ash reduction potential and selected chemical and physical properties of United States coals. [Contains glossary

    Energy Technology Data Exchange (ETDEWEB)

    Cavallaro, J.A.; Deurbrouck, A.W.; Killmeyer, R.P.; Fuchs, W. (USDOE Pittsburgh Energy Technology Center, PA (USA). Coal Preparation Div.); Jacobsen, P.S. (Burns and Roe Services Corp., Pittsburgh, PA (USA))

    1991-02-01

    This report presents the washability and comprehensive characterization results of 184 raw coal channel samples, including anthracite, bituminous and lignite coals, collected from the Central Region of the United States. This is the second of a three volume report on the coals of the United States. All the data are presented in six appendices. Statistical techniques and definitions are presented in Appendix A, and a glossary of terms is presented in Appendix B. The complete washability data and an in-depth characterization of each sample are presented alphabetically by state in Appendix C. In Appendix D, a statistical evaluation is given for the composited washability data, selected chemical and physical properties and washability data interpolated at various levels of Btu recovery. This presentation is shown by state, section, and region where four or more samples were collected. Appendix E presents coalbed codes and names for the Central Region coals. Graphical summations are presented by state, section and region showing the effects of crushing on impurity reductions, and the distribution of raw and clean coal samples meeting various levels of SO{sub 2} emissions. 35 figs., 5 tabs.

  8. Sulfur and ash reduction potential and selected chemical and physical properties of United States coals. [Contains glossary

    Energy Technology Data Exchange (ETDEWEB)

    Cavallaro, J.A.; Deurbrouck, A.W.; Killmeyer, R.P.; Fuchs, W. (USDOE Pittsburgh Energy Technology Center, PA (USA)); Jacobsen, P.S. (Burns and Roe Services Corp., Pittsburgh, PA (USA))

    1990-01-01

    This report presents the washability and comprehensive characterization results of 543 raw coal samples collected from the Eastern Region of the United States. This is the first volume of a three-volume report on the coals of the United States. All the data are presented in six appendices. Statistical techniques and definitions are presented in Appendix A, and a glossary of terms is presented in Appendix B. The complete washability data and an in- depth characterization of each sample are presented alphbetically by state in Appendix C. In Appendix D, a statistical evaluation is given for the composited washability data, selected chemical and physical properties, and washability data interpolated at various levels of Btu recovery. This presentation is shown by state, section, and region where four or more samples were collected. Appendix E presents coalbed codes and names for the Eastern Region coals. Graphical summations are presented by state, section, and region showing the effects of crushing on impurity reductions, and the distribution of raw and clean coal samples meeting various levels of SO{sub 2} emissions. 14 refs., 27 figs., 3 tabs.

  9. Properties of a polaron in a quantum dot: a squeezed-state variational approach

    Institute of Scientific and Technical Information of China (English)

    Yin Jiwen; Li Weiping; Yu Yifu

    2013-01-01

    The ground-state energy and the average number of virtual phonons around the electron in a parabolic quantum dot for the entire range of the electron-phonon coupling constant are obtained using the single-mode squeezed-state variational approach.The variational approach we applied is based on two successive canonical transformations and using a displaced-oscillator type unitary transformation to deal with the bilinear terms which are usually neglected.In order to study the relationship between the ground-state energy and the average number of virtual phonons around the electron ofa polaron in a parabolic quantum dot with the electron-LO-phonon coupling constant and the confinement length,numerical calculations are carried out in the electron-LO-phonon strong-and weak-coupling regions.

  10. 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 $\

  11. 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.

  12. Physical states and properties of barium titanate films in a plane electric field

    Science.gov (United States)

    Shirokov, V. B.; Kalinchuk, V. V.; Shakhovoi, R. A.; Yuzyuk, Yu. I.

    2016-07-01

    The influence of a plane electric field on the phase states of barium titanate thin films under the conditions of forced deformation has been studied. The field dependence of a complete set of material constants has been taken in the region of the c-phase, where polarization losses are absent. The material constants are calculated using equations of the piezoelectric effect derived by linearizing the nonlinear equations of state from the phenomenological; theory for barium titanate. It has been shown that there is a critical value of the field at which the electromechanical coupling coefficient reaches a maximum.

  13. Localized states of flattened quantum elliptic rings and their optical properties

    Institute of Scientific and Technical Information of China (English)

    Situ Shu-Ping

    2009-01-01

    A flattened elliptic ring containing an electron is studied.The emphasis is placed on clarifying the effect of the flattening.The localized states are classified into four types according to their inherent nodes.When the ring becomes more flattened,the total probability of dipole absorption of each state is found to be reduced.Furthermore,each spectral line of absorption is found to shift towards red and may split into a few lines,and these lines as a whole become more diffusive.

  14. Four-State Model for Three-Branch Molecule's Two-Photon Absorption Properties

    Institute of Scientific and Technical Information of China (English)

    SU Yan; WANG Pei-Ji; ZHAO Peng; RONG Zhen-Yu

    2006-01-01

    @@ We present a four-state model for calculating the two-photon absorption of multi-branched molecules by using the time-depended function method. The numerical results indicate that the two-photon absorption cross section has a strong enhancement for three-branch molecules compared to two-branch structures. The maximal two-photon-absorption cross section is 2.358 × 10-47 cm 4 s/photon. At the same time, the charge-transfer process for the charge-transfer states is visualized in order to explain mechanism about the maximal TPA cross section.

  15. Ergodic Properties of Local Spectral Density for a Conservative System of Coupled Quantum States

    CERN Document Server

    Starovoitov, V S

    2002-01-01

    The shape and the inverse participation ratio (IPR) of local spectral density (LSD) are studied for a generic isolated system of coupled quantum states, the Hamiltonian of which is represented by a band random matrix with the disordered leading diagonal. We find for the matrices with arbitrary small band that the lack of ergodicity for LSD can be associated with an exponential increase in IPR with the ratio $v/\\Delta_c$ ($v$ - the root of mean square for off-diagonal matrix elements, $\\Delta_c$ - the energy spacing between directly coupled basis states). Criterions specifying transition to localization and ergodicity for LSD are considered.

  16. 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.

  17. 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...... in the electrical field surrounding ions. Kinetic depolarization may explain 25–75% of the observed decrease in the permittivity of solutions containing salts, but since this is a dynamic property, this effect should not be included in the thermodynamic modeling of electrolytes. Kinetic depolarization has, however...... 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...

  18. 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.

  19. Elastic properties of the ferromagnetic heavy fermion system SmOs{sub 4}Sb{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Nakanishi, Y [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Tanizawa, T [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Fujino, T [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Sun, P [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Nakamura, M [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Sugawara, H [Faculty of Integrated Arts and Sciences, University of Tokushima, Tokushima, 770-8502 (Japan); Kikuchi, D [Department of Physics, Tokyo Metropolitan University, Hachioji, 192-0397 (Japan); Sato, H [Department of Physics, Tokyo Metropolitan University, Hachioji, 192-0397 (Japan); Yoshizawa, M [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan)

    2006-11-15

    Ultrasonic measurements were made on a single crystal of the filled skutterudite compound SmOs{sub 4}Sb{sub 12}. A remarkable elastic softening toward low temperature was observed in the elastic constants C{sub 11} (C{sub 11}-C{sub 12})/2 and C{sub 44} as a function of temperature, followed by a sharp drop which is associated with the onset of ferromagnetic ordering, and then display a monotonic increase below T{sub c}. The present results indicate that the crystalline electric field (CRF) effect would not support straightforward the observed elastic softening toward low temperature. We suggest that this fact is originated from valence instability of the Sm ion at low temperature in SmOs{sub 4}Sb{sub 12}. The 4f electronic ground state of the Sm ion and its elastic property are discussed.

  20. THE SPATIAL STRUCTURE OF YOUNG STELLAR CLUSTERS. III. PHYSICAL PROPERTIES AND EVOLUTIONARY STATES

    Energy Technology Data Exchange (ETDEWEB)

    Kuhn, Michael A.; Feigelson, Eric D.; Getman, Konstantin V. [Department of Astronomy and Astrophysics, 525 Davey Laboratory, Pennsylvania State University, University Park, PA 16802 (United States); Sills, Alison [Department of Physics, McMaster University, 1280 Main Street West, Hamilton, ON L8S 4M1 (Canada); Bate, Matthew R. [Department of Physics and Astronomy, University of Exeter, Stocker Road, Exeter, Devon EX4 4SB (United Kingdom); Borissova, Jordanka [Instituto de Fisica y Astronomía, Universidad de Valparaíso, Gran Bretaña 1111, Playa Ancha, Valparaíso (Chile)

    2015-10-20

    We analyze the physical properties of stellar clusters that are detected in massive star-forming regions in the MYStIX project—a comparative, multiwavelength study of young stellar clusters within 3.6 kpc that contain at least one O-type star. Tabulated properties of subclusters in these regions include physical sizes and shapes, intrinsic numbers of stars, absorptions by the molecular clouds, and median subcluster ages. Physical signs of dynamical evolution are present in the relations of these properties, including statistically significant correlations between subcluster size, central density, and age, which are likely the result of cluster expansion after gas removal. We argue that many of the subclusters identified in Paper I are gravitationally bound because their radii are significantly less than what would be expected from freely expanding clumps of stars with a typical initial stellar velocity dispersion of ∼3 km s{sup −1} for star-forming regions. We explore a model for cluster formation in which structurally simpler clusters are built up hierarchically through the mergers of subclusters—subcluster mergers are indicated by an inverse relation between the numbers of stars in a subcluster and their central densities (also seen as a density versus radius relation that is less steep than would be expected from pure expansion). We discuss implications of these effects for the dynamical relaxation of young stellar clusters.

  1. Coupled-cluster Green's function: Analysis of properties originating in the exponential parametrization of the ground-state wave function

    Science.gov (United States)

    Peng, Bo; Kowalski, Karol

    2016-12-01

    In this paper we derive basic properties of the Green's-function matrix elements stemming from the exponential coupled-cluster (CC) parametrization of the ground-state wave function. We demonstrate that all intermediates used to express the retarded (or, equivalently, ionized) part of the Green's function in the ω representation can be expressed only through connected diagrams. Similar properties are also shared by the first-order ω derivative of the retarded part of the CC Green's function. Moreover, the first-order ω derivative of the CC Green's function can be evaluated analytically. This result can be generalized to any order of ω derivatives. Through the Dyson equation, derivatives of the corresponding CC self-energy operator can be evaluated analytically. In analogy to the CC Green's function, the corresponding CC self-energy operator can be represented by connected terms. Our analysis can easily be generalized to the advanced part of the CC Green's function.

  2. Properties of field quantum entropy evolution in the Jaynes-Cummings model with initial squeezed coherent states field

    Institute of Scientific and Technical Information of China (English)

    Liu Wang-Yun; An Yu-Ying; Yang Zhi-Yong

    2007-01-01

    The properties of the field quantum entropy evolution in a system of a single-mode squeezed coherent state field interacting with a two-level atom is studied by utilizing the complete quantum theory, and we focus our attention on the discussion of the influences of field squeezing parameter γ, atomic distribution angle θ and coupling strength g between the field and the atom on the properties of the evolution of field quantum entropy. The results obtained from numerical calculation indicate that the amplitude of oscillation of field quantum entropy evolution decreases with the increasing of squeezing parameter γ, and that both atomic distribution angle θ and coupling strength g between the field and the atom can influence the periodicity of field quantum entropy evolution.

  3. 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.

  4. 77 FR 65048 - Privacy Act; System of Records: Personal Property Claims, State-27

    Science.gov (United States)

    2012-10-24

    ... printing audit trails of access from the computer media, thereby permitting regular and ad hoc monitoring of computer usage. When it is determined that a user no longer needs access, the user account is... computer system. Remote access to the Department of State network from non-Department owned systems...

  5. Pharmacokinetic Steady-States Highlight Interesting Target-Mediated Disposition Properties.

    Science.gov (United States)

    Gabrielsson, Johan; Peletier, Lambertus A

    2017-05-01

    In this paper, we derive explicit expressions for the concentrations of ligand L, target R and ligand-target complex RL at steady state for the classical model describing target-mediated drug disposition, in the presence of a constant-rate infusion of ligand. We demonstrate that graphing the steady-state values of ligand, target and ligand-target complex, we obtain striking and often singular patterns, which yield a great deal of insight and understanding about the underlying processes. Deriving explicit expressions for the dependence of L, R and RL on the infusion rate, and displaying graphs of the relations between L, R and RL, we give qualitative and quantitive information for the experimentalist about the processes involved. Understanding target turnover is pivotal for optimising these processes when target-mediated drug disposition (TMDD) prevails. By a combination of mathematical analysis and simulations, we also show that the evolution of the three concentration profiles towards their respective steady-states can be quite complex, especially for lower infusion rates. We also show how parameter estimates obtained from iv bolus studies can be used to derive steady-state concentrations of ligand, target and complex. The latter may serve as a template for future experimental designs.

  6. 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.

  7. Giftedness as Property: Troubling Whiteness, Wealth, and Gifted Education in the United States

    Science.gov (United States)

    Mansfield, Katherine Cumings

    2015-01-01

    The purposes of this article are to illumine the racist genealogy of gifted education policies and practices in the United States, to demonstrate how deficit discourses continue today, and to provide personal examples from the field of how educators can begin to question the status quo, resist taken-for-granted assumptions, and alternatively make…

  8. N-particle N-level singlet states Properties and applications

    CERN Document Server

    Cabello, A

    2002-01-01

    Three apparently unrelated problems which have no solution using classical tools are described: the ``N-strangers'', ``secret sharing'', and ``liar detection'' problems. A solution for each of them is proposed. Common to the three solutions is the use of quantum states of total spin zero of N spin-(N+1)/2 particles.

  9. Properties of $^{152}$Gd Collective States (Comparison of Experimental and Theoretical Results)

    CERN Document Server

    Adam, J; Honusek, M; Kalinnikov, V G; Mrazek, J; Pronskikh, V S; Caloun, P; Lebedev, N A; Stegailov, V I; Tsoupko-Sitnikov, V M

    2002-01-01

    The experimental level energies and reduced probabilities of the transitions decoupling the ^{152}Gd excited states are compared with the calculations using a number of phenomenological formulae, as well as the Q-phonon model, IBA-2, phase transitions U(5)-SO(6) and U(5)-SU(3). A comparison with the calculations made by other authors is also given.

  10. Neutron irradiation damage effect on superconducting and normal state properties of the YBa 2Cu 3O 7 system

    Science.gov (United States)

    Przysłupski, P.; Wiśniewski, A.; Koleśnik, S.; Dobrowolski, W.; Pajączkowska, A.; Pytel, K.; Pytel, B.

    1988-06-01

    Effect of irradiation by fast neutrons on superconducting and normal state properties of the YBa 2Cu 3O 7 samples is presented. Transport measurements showed a degradation of all superconducting parameters, especially the transport critical current density. Critical current densities obtained from magnetization data exhibited a substantial increase / about 15 times at 77 K and H = 10 kOe/ after the irradiation with the fluence in the range 2.4·10 17 ÷ 8.7 · 10 17 n/cm 2. Such an anomalous bahavior is explained in terms of neutron created defects at intergrain regions and improved intragrain pinning.

  11. Ground State Properties of Many-Body Systems in the Two-Body Random Ensemble and Random Matrix Theory

    CERN Document Server

    Santos, L F; Jacquod, P; Kusnezov, Dimitri; Jacquod, Ph.

    2002-01-01

    We explore generic ground-state and low-energy statistical properties of many-body bosonic and fermionic one- and two-body random ensembles (TBRE) in the dense limit, and contrast them with Random Matrix Theory (RMT). Weak differences in distribution tails can be attributed to the regularity or chaoticity of the corresponding Hamiltonians rather than the particle statistics. We finally show the universality of the distribution of the angular momentum gap between the lowest energy levels in consecutive J-sectors for the four models considered.

  12. Structural, Optical, and Magnetic Properties of Co Doped CdTe Alloy Powders Prepared by Solid-State Reaction Method

    Directory of Open Access Journals (Sweden)

    M. Rigana Begam

    2013-01-01

    Full Text Available Co doped CdTe powder samples were prepared by solid-state reaction method. In the present work effect of Co doping on structural, optical, and magnetic properties has been studied. X-ray diffraction studies confirm zinc blend structure for all the samples. The lattice parameter showed linear increase with the increase in Co content. The elemental constituents were characterized by EDAX. Optical studies showed the increase in band gap with increase in Co level. The samples were diluted magnetic semiconductors and exhibited clear hysteresis loop showing room temperature ferromagnetism as confirmed by vibrating sample magnetometer.

  13. 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)

  14. ALGEBRAIC PROPERTIES OF MATRIX COMPONENTS OF CONTROL PLANT MODELS IN PLACEMENT STATE MATRIX MODES OF SYSTEM ALGORITHMS FOR DESIGNED SYSTEM

    Directory of Open Access Journals (Sweden)

    N. A. Vunder

    2016-03-01

    Full Text Available Subject of Research.The paper deals with the problem of required placement of state matrix modes in the system being designed.Methods.The problem has been solved with the use of vector matrix formalism of state space method with the dominant attention at the algebraic properties of the object control matrix. Main Results. Algebraic conditions have been obtained imposed on the matrix components of control plant and system models, which has helped to create the algorithms for solving the tasks without necessarily resorting to matrix Sylvester equation and Ackermann's formula. Practical Relevance. User’s base of algorithms for synthesis procedures of control systems with specified quality indices has been extended.

  15. Scaling properties of net information measures for bound states of spherical model potentials confined with finite barrier

    Indian Academy of Sciences (India)

    S H Patil; K D Sen

    2012-01-01

    Using dimensional analyses, the scaling properties of the Heisenberg uncertainty relationship as well as the various information theoretical uncertainty-like relationships are derived for the bound states corresponding to the superposition of the power potential of the form () = + $^{n_{i}}, where , , , are parameters, in the free state as well as in the additional presence of a spherical penetrable boundary wall located at radius The uncertainty product and all other net information measures are shown here to depend only on the parameters [] defined by the ratios /$^{(n_{i}+2)/(n+2)}$. Introduction of a finite potential, V at the radial distance ≥ results in a complete set of scaling parameters given by [, 1, 2], where 1 is given by 1/(n+2) and 2 = V/()2/(+2).

  16. Anode properties of silicon-rich amorphous silicon suboxide films in all-solid-state lithium batteries

    Science.gov (United States)

    Miyazaki, Reona; Ohta, Narumi; Ohnishi, Tsuyoshi; Takada, Kazunori

    2016-10-01

    This paper reports the effects of introducing oxygen into amorphous silicon films on their anode properties in all-solid-state lithium batteries. Although poor cycling performance is a critical issue in silicon anodes, it has been effectively improved by introducing even a small amount of oxygen, that is, even in Si-rich amorphous silicon suboxide (a-SiOx) films. Because of the small amount of oxygen in the films, high cycling performance has been achieved without lowering the capacity and power density: an a-Si film delivers discharge capacity of 2500 mAh g-1 under high discharge current density of 10 mA cm-2 (35 C). These results demonstrate that a-SiOx is a promising candidate for high-capacity anode materials in solid-state batteries.

  17. Even and odd coherent states of a harmonic oscillator in a finite-dimensional Hilbert space and their squeezing properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhu Jiuyun (Department of Physics, Hunan Normal University, Hunan 410006 (China)); Kuang Leman (Theoretical Physics Division, Nankai Institute of Mathematics, Tianjin 300071 (China) Department of Physics and Institute of Physics, Hunan Normal University, Hunan 410081 (China))

    1994-10-03

    The even and odd coherent states (CSs) of a finite-dimensional Hilbert space harmonic oscillator (FDHSHO) are constructed and some properties of these states are studied. Their quadrature squeezing and amplitude-squared squeezing are investigated in detail. It is shown that, while the squeezing behaviour of the even and odd CSs of the FDHSHO approaches that of the even and odd CSs of the usual harmonic oscillator as the dimension of the Hilbert space tends to infinity, this behaviour is nontrivally different if the dimension of the Hilbert space is finite. In the latter case, it is found that the even and odd CSs exhibit both amplitude-squared squeezing and quadrature squeezing. ((orig.))

  18. Water properties in fern spores: sorption characteristics relating to water affinity, glassy states, and storage stability.

    Science.gov (United States)

    Ballesteros, Daniel; Walters, Christina

    2007-01-01

    Ex situ conservation of ferns may be accomplished by maintaining the viability of stored spores for many years. Storage conditions that maximize spore longevity can be inferred from an understanding of the behaviour of water within fern spores. Water sorption properties were measured in spores of five homosporeous species of ferns and compared with properties of pollen, seeds, and fern leaf tissue. Isotherms were constructed at 5, 25, and 45 degrees C and analysed using different physicochemical models in order to quantify chemical affinity and heat (enthalpy) of sorption of water in fern spores. Fern spores hydrate slowly but dry rapidly at ambient relative humidity. Low Brunauer-Emmet-Teller monolayer values, few water-binding sites according to the D'Arcy-Watt model, and limited solute-solvent compatibility according to the Flory-Huggins model suggest that fern spores have low affinity for water. Despite the low water affinity, fern spores demonstrate relatively high values of sorption enthalpy (DeltaH(sorp)). Parameters associated with binding sites and DeltaH(sorp) decrease with increasing temperature, suggesting temperature- and hydration-dependent changes in volume of spore macromolecules. Collectively, these data may relate to the degree to which cellular structures within fern spores are stabilized during drying and cooling. Water sorption properties within fern spores suggest that storage at subfreezing temperatures will give longevities comparable with those achieved with seeds. However, the window of optimum water contents for fern spores is very narrow and much lower than that measured in seeds, making precise manipulation of water content imperative for achieving maximum longevity.

  19. Properties of Closed-Loop Reference Models in Adaptive Control: Part I Full States Accessible

    CERN Document Server

    Gibson, Travis E; Lavretsky, Eugene

    2012-01-01

    This paper explores the properties of adaptive systems with closed-loop reference models. Historically, reference models in adaptive systems run open-loop in parallel with the plant and controller, using no information from the plant or controller to alter the trajectory of the reference system. Closed-loop reference models on the other hand use information from the plant to alter the reference trajectory. We show that closed-loop reference models have one more free design parameter as compared to their open-loop counterparts. Using the extra design freedom, we study closed--loop reference models and their impact on transient response and robustness in adaptive systems.

  20. RHEOLOGICAL PROPERTIES OF POLY(VINYLIDENE FLUORIDE)IN MOLTEN STATE

    Institute of Scientific and Technical Information of China (English)

    Lie Shen; Yi-hu Song; Yu-jian Qian; Fei Qiao; Jie-lai Zhang; Qiang Zheng

    2008-01-01

    The rheological behavior of poly(vinylidene fluoride)(PVDF)samples of different molecular weights was investigated by means of high pressure capillary rheometer and rotational rheometer.Information on the rheological properties of such materials above melt temperatures is of interest as this can lead to an improved understanding of polymer behavior in processing and fabrication technologies.Shift factors derived from time-temperature superposition showed good fit to the Arrhenius equation with a flow activation energy E of almost 74 kJ/mol.which was essentially independent of polymer molecular weight suggesting the unit of flow was a collective motion of chain segments rather than the whole chain itself.

  1. Properties of the ground-state baryons in chiral perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Martin Camalich, J., E-mail: camalich@ific.uv.e [Departamento de Fisica Teorica and IFIC, Universidad de Valencia-CSIC (Spain); Geng, L.S., E-mail: lisheng.geng@ph.tum.d [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Physik Department, Technische Universitaet Muenchen, D-85747 Garching (Germany); Vicente Vacas, J.M., E-mail: vicente@ific.uv.e [Departamento de Fisica Teorica and IFIC, Universidad de Valencia-CSIC (Spain)

    2010-10-15

    We review recent progress in the understanding of low-energy baryon structure by means of chiral perturbation theory. In particular, we discuss the application of this formalism to the description of various properties such as the baryon-octet magnetic moments, the electromagnetic structure of decuplet resonances and the hyperon vector coupling f{sub 1}(0). Moreover, we present the results on the chiral extrapolation of recent lattice QCD results on the lowest-lying baryon masses and we predict the corresponding baryonic sigma-terms.

  2. Properties of the ground-state baryons in chiral perturbation theory

    CERN Document Server

    Martin-Camalich, J; Vacas, M J Vicente

    2010-01-01

    We review recent progress in the understanding of low-energy baryon structure by means of chiral perturbation theory. In particular, we discuss the application of this formalism to the description of various properties such as the baryon-octet magnetic moments, the electromagnetic structure of decuplet resonances and the hyperon vector coupling $f_1(0)$. Moreover, we present the results on the chiral extrapolation of recent lattice QCD results on the lowest-lying baryon masses and we predict the corresponding baryonic sigma-terms.

  3. 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

  4. Steady-state properties of a totally asymmetric exclusion process with periodic structure

    Science.gov (United States)

    Lakatos, Greg; Chou, Tom; Kolomeisky, Anatoly

    2005-01-01

    We study the steady-state behavior of totally asymmetric simple exclusion processes (TASEPs) that contain periodically varying movement rates. In this model, particles move to the right at one of two rates: p2 if the particle occupies one of a periodically arranged set of lattice sites; p1 otherwise. Approximate mean field approaches are used to study the steady-state currents and bulk densities of this model. These mean field methods are found to provide results in good agreement with data derived from Monte Carlo simulations. Finally, the condition for particle-hole symmetry in the TASEP with periodically varying movement rates is specified, and the changes in the locations of the boundary-limited to maximal-current transition lines due to symmetry violation are investigated.

  5. Emergent Conformal Symmetry and Geometric Transport Properties of Quantum Hall States on Singular Surfaces

    Science.gov (United States)

    Can, T.; Chiu, Y. H.; Laskin, M.; Wiegmann, P.

    2016-12-01

    We study quantum Hall states on surfaces with conical singularities. We show that the electronic fluid at the cone tip possesses an intrinsic angular momentum, which is due solely to the gravitational anomaly. We also show that quantum Hall states behave as conformal primaries near singular points, with a conformal dimension equal to the angular momentum. Finally, we argue that the gravitational anomaly and conformal dimension determine the fine structure of the electronic density at the conical point. The singularities emerge as quasiparticles with spin and exchange statistics arising from adiabatically braiding conical singularities. Thus, the gravitational anomaly, which appears as a finite size correction on smooth surfaces, dominates geometric transport on singular surfaces.

  6. 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.)

  7. Charmed partner of the exotic X (5568 ) state and its properties

    Science.gov (United States)

    Agaev, S. S.; Azizi, K.; Sundu, H.

    2016-05-01

    The mass, decay constant, and width of a hypothetical charmed partner Xc of the newly observed exotic Xb(5568 ) state are calculated using the technique of the QCD sum rule method. The Xc=[s u ][c ¯ d ¯ ] state with JP=0+ is described, employing two types of the diquark-antidiquark interpolating currents. The evaluation of the mass mXc and decay constant fXc is carried out utilizing the two-point sum rule method by including vacuum condensates up to eight dimensions. The widths of the decay channels Xc→Ds-π+ and Xc→D0K0 are also found. To this end, the strong couplings gXcDsπ and gXcDK are computed by means of QCD sum rules on the light-cone and soft-meson approximation.

  8. Local statistical properties of Schmidt eigenvalues of bipartite entanglement for a random pure state

    CERN Document Server

    Liu, Dang-Zheng

    2009-01-01

    Consider the model of bipartite entanglement for a random pure state emerging in quantum information and quantum chaos, corresponding to the fixed trace Laguerre unitary ensemble (LUE) in Random Matrix Theory. We focus on correlation functions of Schmidt eigenvalues for the model and prove universal limits of the correlation functions in the bulk and also at the soft and hard edges of the spectrum, as these for the LUE. Further we consider the bounded trace LUE and obtain the same universal limits.

  9. Steady-state properties of driven magnetic reconnection in 2D electron magnetohydrodynamics.

    Science.gov (United States)

    Chacón, L; Simakov, Andrei N; Zocco, A

    2007-12-07

    We formulate a rigorous nonlinear analytical model that describes the dynamics of the diffusion (reconnection) region in driven systems in the context of electron magnetohydrodynamics (EMHD). A steady-state analysis yields allowed geometric configurations and associated reconnection rates. In addition to the well-known open X-point geometry, elongated configurations are found possible. The model predictions have been validated numerically with two-dimensional EMHD nonlinear simulations, and are in excellent agreement with previously published work.

  10. 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

  11. Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor

    Directory of Open Access Journals (Sweden)

    Robert C. Haddon

    2012-05-01

    Full Text Available We report the preparation, crystallization and solid state characterization of a cyclohexanemethylamine substituted spirobiphenalenyl radical; in the solid state the compound is iso-structural with its dehydro-analog (benzylamine-substitued compound, and the molecules packed in a one-dimensional fashion that we refer to as a π-step stack. Neighboring molecules in the stack interact via the overlap of one pair of active (spin bearing carbon atoms per phenalenyl unit. The magnetic susceptibility measurement indicates that in the solid state the radical remains paramagnetic and the fraction of Curie spins is 0.75 per molecule. We use the analytical form of the Bonner-Fisher model for the S = 1/2 antiferromagnetic Heisenberg chain of isotropically interacting spins with intrachain spin coupling constant J = 6.3 cm−1, to fit the experimentally observed paramagnetism [χp (T] in the temperature range 4–330 K. The measured room temperature conductivity (σRT = 2.4 × 10–3 S/cm is comparable with that of the iso-structural benzyl radical, even though the calculated band dispersions are smaller than that of the unsaturated analog.

  12. Properties of the homogeneous cooling state of a gas of inelastic rough particles

    Science.gov (United States)

    Reyes, Francisco Vega; Santos, Andres; Kremer, Gilberto M.

    2014-12-01

    In this work we address the question of whether a low-density system composed of identical rough particles may reach hydrodynamic states (also called normal states), even if energy is not conserved in particle collisions. As a way to measure the ability of the system to present a hydrodynamic behavior, we focus on the so-called homogeneous cooling state of the granular gas and look at the corresponding relaxation time as a function of inelasticity and roughness. We report computer simulation results of the sixth- and eighth-order cumulants of the particle velocity distribution function and study the influence of roughness on their relaxation times and asymptotic values. This extends the results of a previous work [Phys. Rev. E 89, 020202(R) (2014], where lower-order cumulants were measured. Our results confirm that the relaxation times are not necessarily longer for stronger inelasticities. This implies that dissipation by itself does not preclude hydrodynamics. It is also observed that the cumulants associated with the angular velocity distribution may reach very high values in a certain region of (small) roughness and that these maxima coincide with small orientational correlation points.

  13. Localization of Si/SiO2 Interface States: Properties and Physical Implications

    Science.gov (United States)

    Koiller, Belita; Dusko, Amintor; Saraiva, Andre

    2013-03-01

    Interface states (IS) form spontaneously at some semiconductor-barrier interfaces and they may improve or hinder electronic control and coherence for semiconductor-based qubits. Intrinsic Si/SiO2 IS and its hybridization to the Si bulk states were recently investigated within tight binding (TB) models. From the simplest model (1D), new insights emerge regarding the IS's energy and hybridization with the band states. In this work the 1D TB Hamiltonian is further explored, here within a Green's function formalism. The problem is solved exactly via a decimation technique based on renormalization group ideas. The IS thus obtained are strictly related to the junction of two semi-infinite chains modeling the Si material and the SiO2 barrier, excluding possible contributions from parameters (e.g. chain length) previously invoked. We obtain the energy of IS as well as the exponential longer (shorter) localization lengths into the Si (barrier) material. The IS may be probed experimentally by an external electric field, which modulates the capacitance of the system, or by the spacing between the two lowest levels, related to the valley splitting. Work partially supported by FAPERJ, CNPq, CAPES.

  14. Nonclassical properties and decoherence of fields in photon-added squeezing-enhanced thermal states

    Science.gov (United States)

    Wang, Zhen; Meng, Xiang-Guo; Li, Heng-Mei; Yuan, Hong-Chun

    2014-04-01

    We put forward the photon-added squeezing-enhanced thermal states (PASETS) theoretically by adding photon to the squeezed enhancing thermal states (SETS) repeatedly. Based on the normally ordered density operator of PASETS, we investigate the nonclassical behavior of the PASETS by evaluating, both analytically and numerically, Mandel's Q-parameter, photon-number distribution (PND), and Wigner function (WF). It is found that smaller squeezing parameter r and thermal photon number nc can lead to more chance of the appearance of sub-Poissonian statistics. And it is shown that the PND of PASETS exhibit more remarkable oscillations than that of SETS in stronger squeezing case. The WF exhibit partial negativity in phase space and the squeezing parameter r can result in both squeezing and rotating effect. By investigating the fidelity between PASETS and SETS shows that the fidelity tender to steady values in the high value of squeezing parameter or thermal photon number. In addition, the decoherence effect on the PASETS is examined by the time-evolution of the analytical WF in thermal channel. The results show that the PASETS shall lose nonclassicality and non-Gaussianity and reduce to classical states with Gaussian distribution after sufficient time interaction with the thermal noise. And larger photon-added number or thermal photon number shall render shorter decoherence time.

  15. 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.

  16. 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.

  17. Solvent Effects on Spectral Property and Dipole Moment of the Lowest Excited State of Coumarin 343 Dye

    Institute of Scientific and Technical Information of China (English)

    Li-lin Jiang; Wei-long Liu; Yun-fei Song; Xing He; Yang Wang; Hong-lin Wu; Yan-qiang Yang

    2012-01-01

    Steady-state absorption and fluorescence spectra,and time-resolved fluorescence spectra of coumarin 343 (C343) were measured in different solvents.The effect of the solvent on the spectral properties and dipole moment of the lowest excited state of C343 were investigated.It was found that the absorption and fluorescence spectra red-shifted slightly and strongly with increasing solvent polarity,respectively,because the charge distribution of the excited state leaded to the increasing difference between the absorption and fluorescence spectra with increasing solvent polarity.The dipole moment of the lowest excited state of C343 was determined from solvatochromic measurements and the quantum chemical calculation,and the results obtained from these two methods were fully consistent.Investigations of the time-resolved fluorescence of C343 in different solvents indicated that the fluorescence lifetimes increased nearly linearly with increasing solvent polarity from 3.09 ns in toluene to 4.45 ns in water.This can be ascribed to the intermolecular hydrogen bonding interactions between C343 and hydrogen donating solvents.

  18. Cotunneling spectroscopy and the properties of excited-state spin manifolds of Mn12 single molecule magnets

    Science.gov (United States)

    Rostamzadeh Renani, Fatemeh; Kirczenow, George

    2014-10-01

    We study charge transport through single molecule magnet (SMM) junctions in the cotunneling regime as a tool for investigating the properties of the excited-state manifolds of neutral Mn12 SMs. This study is motivated by a recent transport experiment [S. Kahle et al., Nano Lett. 12, 518 (2012), 10.1021/nl204141z] that probed the details of the magnetic and electronic structure of Mn12 SMMs beyond the ground-state spin manifold. A giant spin Hamiltonian and master equation approach is used to explore theoretically the cotunneling transport through Mn12-Ac SMM junctions. We identify SMM transitions that can account for both the strong and weak features of the experimental differential conductance spectra. We find the experimental results to imply that the excited spin-state manifolds of the neutral SMM have either different anisotropy constants or different g factors in comparison with its ground-state manifold. However, the latter scenario accounts best for the experimental data.

  19. Microsolvated transition state models for improved insight into chemical properties and reaction mechanisms.

    Science.gov (United States)

    Sunoj, Raghavan B; Anand, Megha

    2012-10-05

    Over the years, several methods have been developed to effectively represent the chemical behavior of solutes in solvents. The environmental effects arising due to solvation can generally be achieved either through inclusion of discrete solvent molecules or by inscribing into a cavity in a homogeneous and continuum dielectric medium. In both these approaches of computational origin, the perturbations on the solute induced by the surrounding solvent are at the focus of the problem. While the rigor and method of inclusion of solvent effects vary, such solvation models have found widespread applications, as evident from modern chemical literature. A hybrid method, commonly referred to as cluster-continuum model (CCM), brings together the key advantages of discrete and continuum models. In this perspective, we intend to highlight the latent potential of CCM toward obtaining accurate estimates on a number of properties as well as reactions of contemporary significance. The objective has generally been achieved by choosing illustrative examples from the literature, besides expending efforts to bring out the complementary advantages of CCM as compared to continuum or discrete solvation models. The majority of examples emanate from the prevalent applications of CCM to organic reactions, although a handful of interesting organometallic reactions have also been discussed. In addition, increasingly accurate computations of properties like pK(a) and solvation of ions obtained using the CCM protocol are also presented.

  20. Mechanical Properties of Solid-State Recycled 4xxx Aluminum Alloy Chips

    Science.gov (United States)

    Tokarski, Tomasz

    2016-08-01

    The direct production of aluminum from bauxite ores is known to be a very energetic-intensive operation compared to other metallurgical processes. Due to energy issues and the rapid increase in aluminum demand, new kinds of aluminum production processes are required. Aluminum waste recycling, which has an advantage of lowering the cost of electric power consumption, is considered to be an alternative route for material manufacturing. In this work, the way of reusing aluminum EN-AC 44000 alloy scraps by hot extrusion was presented. Metal chips of different sizes and morphology were cold compacted into billet form and then hot extruded. Mechanical properties investigations combined with microstructure observations were performed. Mechanical anisotropy behavior of material was evaluated on the base of tensile test experiments performed on samples machined at 0°, 45°, and 90°, respectively, to the extrusion direction. It was found that the initial size of the chips has an influence on the mechanical properties of the received profiles. Samples produced from fine chips revealed higher tensile strength in comparison to larger chips, which can be attributed to a refined microstructure containing fine, hard Si particles and Fe-rich intermetallic phases. Finally, it was found that anisotropic behavior of chip-based profiles is similar to conventionally cast and extruded materials which prove good bonding quality between chips.