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We have measured the frequency-dependent dielectric function of semi-crystalline polybutylene terephthalate (PBT) in the terahertz region between 100?GHz and approximately 2.8?THz. A characteristic band is observed around 2.38?THz. The intensity of this band is a good indicator of the degree of crystallinity of the different samples. A potential assignment of this band is proposed, based on the comparison with spectroscopic data of the structurally very similar polyethylene terephtalate (PET). Furthermore, the frequency-dependent index of refraction of PBT reveals more insight about the morphology and different thermal history of the samples under investigation.

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High-spin states in {sup 177}Ta were produced using the {sup 170}Er({sup 11}B, 4{ital n}) reaction at 55 and 60 MeV. Considerable extensions have been made to the previously known level scheme, and new structures have been found. {ital B}({ital M}1)/{ital B}({ital E}2) ratios have been extracted for strongly coupled bands. The behavior of the different rotational cascades, in particular the anomalous crossing frequency observed in the [541]1/2{sup {minus}} proton {ital h}{sub 9/2} band and the occurrence of ``identical bands,`` is discussed. Comparisons are made with projected shell model calculations.

International Nuclear Information System (INIS)

Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).

International Nuclear Information System (INIS)

Fermi radii and velocities are determined by deconvoluting de Haas-van Alphen data. Comparison of these data with accurate augmented-plane-wave band-structure results establishes the reliability of the augmented-plane-wave calculations and allows a determination of the anisotropic many-body enhancement factor lambda(k). The Fermi-surface average of 1.33 suggests a large electron-electron contribution. Our anisotropic lambda(k) porvides a detailed test and guide for model calculations of many-body enhancement.

International Nuclear Information System (INIS)

We present first-time measurements of the Fermi surface and low-energy electronic structure of intermetallic compounds Gd_2PdSi_3 and Tb_2PdSi_3 by means of angle-resolved photoelectron spectroscopy (ARPES). We show that the Fermi surface in both compounds consists of an electron barrel at the #GAMMA# point surrounded by spindle-shaped electron pockets originating from the same band, with the band bottom of both features lying at 0.5 eV below the Fermi level. From the experimentally measured band structure, we estimate the momentum-dependent RKKY coupling strength and demonstrate that it is peaked at the 1/2#GAMMA# K wave vector. Comparison with neutron diffraction data from the same crystals shows perfect agreement of this vector with the propagation vector of the low-temperature in-plane magnetic order, thereby demonstrating the decisive role of the Fermi ...

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We develop a continuum description for the axial segregation of granular materials in a long rotating drum based on the dynamics of the thin near-surface granular flow coupled to bulk flow. The equations of motion are reduced to the one-dimensional system for two local variables only, the concentration difference and the dynamic angle of repose, or the average slope of the free surface. The parameters of the system are established from comparison with experimental data. The resulting system describes both initial transient traveling wave dynamics and the formation of quasi-stationary bands of segregated materials. A long-term evolution proceeds through slow logarithmic coarsening of the band structure which is analogous to the spinoidal decomposition described by the Cahn-Hilliard equation. {copyright} {ital 1999} {ital The American Physical Society}

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The electronic structure of small niobium clusters Nb/sub n/ (n = 2, 4, 6, 9) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-X/sub alpha/ method). It was found that both the methods led to the same results concerning equilibrium structures, energy level schemes, Fermi energies and band widths as well as the densities of states of the clusters. In solving solid state problems of transition metals with the aid of the cluster model a better adaptation of the EH method should be expected by adjusting the EH parameters to the SW-X/sub alpha/ results.

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... deformed nuclei eigenvalues even-odd nuclei gold 195 hamiltonians iridium

International Nuclear Information System (INIS)

Local-density-functional calculations of the energy bands, equilibrium lattice constant, bulk modulus, and cohesive energy have been performed using a newly developed self-consistent full-potential linearized augmented-plane-wave (LAPW) program. Scalar-relativistic effects are included for the band states, and the core-level states are treated fully relativistically in a central-field approximation. Excellent agreement is obtained with the experimental lattice constant and bulk modulus. Generally good agreement is obtained with the scalar-relativistic pseudopotential results of Bylander and Kleinman. In this context, the impact of various approximations used in including the core states is assessed, and these findings are related to the frozen-core and pseudopotential approximations, especially with regard to the treatment of the somewhat overlapping 5p semicore states and their effect on ground-state properties. Comparison ...

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High-spin states in the mirror pair nuclei {sup 49}Cr and {sup 49}Mn and their cross-conjugate partners, the mirror pair {sup 47}V and {sup 47}Cr have been investigated using experimental {gamma}-ray spectroscopic techniques. The combination of high-efficiency EUROBALL cluster Germanium detectors and clean exit-channel gating afforded by a 31-element silicon ball used in conjunction with a 15-detector neutron wall allowed a revision and extension to the energy level schemes of all four nuclei up to J{sup {pi}}=31{sup -}/2. The difference in excitation energy between states of equivalent spin in the parent nucleus and its analogue partner have thus been established for both mirror pairs up to the f{sub 7/2}-shell band terminating state for the first time. This difference is assumed to be due almost entirely to the Coulomb effect and is therefore called the Coulomb energy difference (CED). The variation in the CED with spin has been interpreted as reflecting the ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# X-ray intensity ratios of Ti, Cr, Fe and Co in pure metals and in Cr_0_._2_6Fe_0_._7_4, Cr_0_._8_0Co_0_._2_0 and Ti_0_._8_0Cr_0_._2_0 alloys have been measured following excitation by 59.54 keV #gamma#-rays from a 7400 MBq (200 mCi) "2"4"1Am point-source. The valence electronic structure of Ti, Cr, Fe and Co in the samples have been evaluated by the comparison of the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations performed for various electronic configurations of these metals. The 3d-electron populations obtained for pure metallic Ti, Cr, Fe and Co agree well with the results of band structure calculations of Papaconstantopoulos (Handbook of band structure of elemental solids, Plenum Press, New York, 1986). Our analysis indicates significant increase of 3d-electron population of ...

CERN Document Server

The recently measured experimental data of Argonne National Laboratory for high-spin states in neutron-rich $^{71,73,75,77}$Ga isotopes have been interpreted in the framework of large-scale shell model. Calculations have been performed in $f_{5/2}pg_{9/2}$ model space with two recent effective shell model interactions, JUN45 and jj44b. We also predict high-spin states for $^{79,81}$Ga, where very little is known experimentally. The calculated results show that existence of band structure built on top of the 3/2$^-$, 5/2$^-$ and 9/2$^+$ levels in $^{71-77}$Ga. The collective structure reflected in experimental data is not well reproduced in calculated values. The calculated positive parity states in $^{71,73,75}$Ga are higher in energy in comparison to experimental finding, while for $^{77,79}$Ga, the positive parity states are in better agreement. Both the interactions predict, leading configuration of ...

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There is considerable interest in the use of silicon devices as qubits for quantum computing. The existence of nuclear spin in a silicon isotope and the complex band structure of silicon are unfavourable for this application of silicon devices. (viewpoint)

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Energy band diagrams of LaCuOCh (Ch = S, Se and Te) were calculated by a full-potential linearized augmented plane-wave method. The calculations, based on the local density approximation with/without an on-site Coulomb repulsion parameter, were to examine the energy levels of La 4f states. The results of the calculations showed that the on-site correlation parameter is necessary for evaluating the energy levels of La 4f states appropriately. The calculations for LaCuOCh with the on-site correlation parameter revealed that LaCuOS and LaCuOSe have almost the same energy band structure with a direct allowed-type band gap, while LaCuOTe has significantly different conduction band structure that exhibits an indirect-type band gap. This difference in electronic structure between LaCuOCh (Ch = S, Se and Te) is consistent with ...

International Nuclear Information System (INIS)

The measurements obtained here indicate ways in which micro-Raman spectroscopy can be used to elucidate structural characteristics and distribution of carbon in meteorites and interplanetary dust particles (IDPs). Existing information about structurally significant aspects of Raman measurements of graphite is combined with structurally relevant findings from the present micro-Raman studies of carbons prepared by carbonization of polyvinylidine chloride (PVDC) at various temperatures and natural material, as well as several acid residues from the Allende and Murchison meteorites in order to establish new spectra-structure relationships. Structural features of many of the materials in this study have been measured by x ray analysis and electron microscopy: thus, their structural differences can be directly correlated with differences in the Raman spectra. The ...

Science.gov (United States)

The visible absorption spectra of 1,4-(dihydroxy)-9,10-anthraquinone and of Co(II), Ni(II), Cu(II) and Zn(II) chelates have been studied in different organic solvents. This system provides a model for the anthracycline antibiotics and their metal chelates. The band structure of the spectrum has been determined using the second and fourth derivatives of the spectrum. The visible absorption band of the parent molecule can be assigned to a single electronic state with a reduced dipole moment in the excited state; structure in this band is ascribed to two overlapping vibrational progressions. In contrast, the dianion (hydroxy protons removed) shows a single electronic state with an increased dipole moment in the excited state; structure in this band can be assigned to a single vibrational progression. All of the metal chelates show spectra which ...

International Nuclear Information System (INIS)

Ab initio calculations of the electronic structure were performed for the silver palladium oxide, Ag_2PdO_2, by the full potential mixed linearized augmented plane wave and augmented plane wave plus local orbitals method (mixed LAPW/APW+lo) within the density functional theory and using the generalized gradient approximation (GGA96, Phys. Rev. Lett. 77 (1996) 3865) for the exchange-correlation potential. The lattice parameters were calculated from the ground-state total energy versus volume curve, and are in good agreement with the available experimental results. Our calculations of band structure predicted that the compound Ag_2PdO_2 has indirect band gap, and the Pd 4d states strongly hybridize with the O 2p states all over the valence bands and conduction bands. The valence bands are composed mainly of Ag, Pd 4d states and O 2p states, ...

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A phenomenological simulation was carried out for 41 experimental crystal-field (CF) levels within the {sup 4}I{sub 9/2-15/2}, {sup 4}F{sub 3/2-9/2}, {sup 4}S{sub 3/2} and {sup 2}H{sub 9/2} J manifolds, including the available infrared (IR) data up to {approx}15 000 cm{sup -1} for the Nd{sup 3+} ions in the Nd{sub 2}CuO{sub 4} single crystals. The CF Hamiltonian for the tetragonal C{sub 4v} symmetry was diagonalized together with the free-ion Hamiltonian in a basis that spans the entire 4f{sup 3} configuration. A rms error of 9 cm{sup -1} between the calculated and experimental energy level schemes was obtained. A comparison of the spectra in the visible region between the insulating Nd{sub 2}CuO{sub 4} and the metallic Nd{sub 2-x}Ce{sub x}CuO{sub 4}, allowed identifying the absorption bands associated with the development of the charge-doping induced local structural distortions in the superconducting regime.

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M-type hexagonal ferrite composition, Ba(1-x)SrxFe12O19 (x=0.0, 0.2, 0.4, 0.6, 0.8 and 1.0), was prepared by a two route ceramic method. Complex permittivity (?'-j?'') and complex permeability (?'-j?'') have been measured using a network analyzer from 8.2 to 12.4 GHz X-ray diffraction confirmed the M-type hexagonal structure and a scanned electron micrograph was used to analyze the grain size distribution of ferrite. Substitution of Sr2+ ions causes an increase in porosity that deteriorates the electromagnetic and microstructural properties in the doped samples. Both dielectric constant and dielectric loss are enhanced in comparison to the permeability and magnetic loss over the entire frequency region. This is due to a resistivity variation and the formation of Fe2+ ions, which increases the hopping mechanism between Fe2+ and Fe3+ ions.

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It has recently been found that many buildings in Taiwan were constructed with radioactively contaminated rebar, which raised great concern among the residents as well as governmental officials. In order to investigate the possible cytogenetic damage to the residents of contaminated buildings, a G-banding method was carried out on the lymphocytes of 30 radiation-exposed individuals from four families and one office building, as well as 15 control individuals from laboratory personnel. The estimated cumulative radiation doses for the exposed people range from 19.63 to 280.50 mSv. Altogether, 13 females and 17 males belonging to the radiation-exposed group, and 7 females and 8 males in the control group, were included in this study. With the exception of one sample, at least 500 metaphase spreads were scored and analyzed for each individual. All the recognizable structural aberrations of chromosomes or chromatids were recorded and statistically ...

International Nuclear Information System (INIS)

The purified integral membrane protein, band 3, from human erythrocytes was inserted into egg lecithin liposomes. The insertion of band 3 was determined from thermal transition data from the analysis of the C-H stretching region bands recorded at temperatures from 25 to -22"oC. Raman spectra show that band 3 considerably broadens and lowers the thermal transition of egg lecithin liposomes, suggesting the insertion of band 3. The band 3-inserted liposomes were irradiated with gamma-rays (40 Gy) and the radiation target groups were determined by the analysis of the structural sensitive Raman bands in the 1600-1700 cm"-"1 (amide I), 1200-1300 cm"-"1 (amide III) and 550-1030 cm"-"1 (side chain amino groups) regions. The radiation-sensitive groups as identified from Raman spectra in the region 550-1030 cm"-"1 are tyrosines ...

CERN Document Server

A new constraint of clustering for the AMD calculation is proposed. This new constraint gives us large improvement in studying the cluster structure by AMD which sometimes meets difficulty in giving rise to some specific cluster configurations. The usefulness of this new constraint is verified by applying it to the the study of the third $K^\\pi = 0^+$ band of $^{20}$Ne which has been discussed to have $2\\alpha$-$^{12}$C structure. This band has not been easy even to construct by AMD. We see that the AMD+GCM calculation by the use of the new constraint gives rise to the third $K^\\pi = 0^+$ band which contains the $2\\alpha$-$^{12}$C structure as an important component.

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This work is a theoretical investigation on the physical properties of semiconductor-based two-dimensional photonic crystals, in particular for what concerns systems embedded in planar dielectric waveguides (GaAs/AlGaAs, GaInAsP/InP heterostructures, and self-standing membranes) or based on macro-porous silicon. The photonic-band structure of photonic crystals and photonic-crystal slabs is numerically computed and the associated light-line problem is discussed, which points to the issue of intrinsic out-of-lane diffraction losses for the photonic bands lying above the light line. The photonic states are then classified by the group theory formalism: each mode is related to an irreducible representation of the corresponding small point group. The optical properties are investigated by means of the scattering matrix method, which numerically implements a variable-angle-reflectance experiment; comparison ...

International Nuclear Information System (INIS)

The method of augmented plane wave (APW) is used to obtain the band structure of the SmS compound in the semiconductor and metal phases. The noncentral part of the Coulomb electron-electron interaction is taken into account in the first order perturbation theory. In this case the radial part of the wave APW-function is taken as a zero approximation function. A multiplet structure of the excited configuration f"5d, which provides a good description of the X-ray photoelectron spectrum and optical spectrum epsilon_2(#omega#), is obtained. The configuration fd is calculated for the interpretation of the optical absorption spectrum of the samarium monosulfide metal phase. (author).

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Nonrelativistic band calculations of Mattheiss for Nb and Petroff and Viswanathan for Mo are used to calculate the imaginary part epsilon_2 of the dielectric function for these metals. The structure resulting from interband transitions in the frequency range 0.1--0.5 Ry is found to give fairly good agreement with experiment. The calculation indicates that structure in epsilon_2 can arise from transitions away from symmetry points and lines in the Brillouin zone. The difficulty in distinguishing between the direct and indirect transition models for epsilon_2 is shown to arise from a lack of strong optical critical points. Predictions of the rigid-band model for the optical properties of Nb-Mo alloys are presented.

British Library Electronic Table of Contents (United Kingdom)

We present a comparative study on the acoustic tunneling through artificial periodical composites, from phononic crystals to acoustic metamaterials. We find that the features of the acoustic tunneling are closely related with the origins of band gaps. In particular, the band gap associated with the negative effective material parameter in the metamaterial results in a better analog of the tunneling effect to the quantum system.

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Cretaceous and Tertiary strata are known from outcrop in the northeast part of the area, while older rocks are presented in the southwest. The major structures are, from north to south: the Pedley Thrust, Coalspur Triangle Zone (formerly called Coalspur Anticline), Entrance Syncline, Mercoal Thrust, Brazeau Flats, Brazeau Thrust, Brazeau Syncline, Grave Flats Thrust, Cadomin syncline and Nikanassin Thrust. The economic coal seams of the Tertiary Coalspur Formation are of high volatile C rank and are present in three parallel bands in the Entrance Syncline and Coalspur Triangle Zone, where they have been mined extensively in the past. The Mercoal band is the southernmost and dips about 30[degree] to the northeast. The Coalspur band is in the middle and dips generally to the southwest. The Robb band is the northernmost band, contains northeast dipping strata and ...

International Nuclear Information System (INIS)

Superconductivity in A-15 compounds is examined in terms of electron pairing induced by exchange of acoustic plasmons. The electronic band structure of Nb_3Sn, V_3Si, and similar materials favor transition temperatures of Tsub(c)approximately20 K. (Auth.).

Science.gov (United States)

Generally the photonic band gap (PBG) is a multi-variable function of several parameters related to the shape and size of the dielectric columns of photonic crystals (PhCs), and a time-consuming step-by-step scanning process for each parameter has to be used to find their best combination yielding maximum PBG. In this letter, the widely used Nelder-Mead simplex algorithm is introduced to optimize these parameters simultaneously to find a larger PBG for a new kind of two-dimensional (2D) hexagonal GaAs-Air PhC. This structure can be conveniently produced by the single-exposure holographic lithography, and the specific holographic design is also systematically investigated. This study reveals that the band gaps of PhCs made by holographic lithography may be widened by introducing irregularity of the columns and lowering the symmetry of the structure.

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The electronic structure of the C15, or cubic-Laves-phase material, UAl/sub 2/ has been calculated using the linearized relativistic augmented-plane-wave method. The anomalous behavior of the electrical resistivity, specific heat, and magnetic susceptibility can be explained by the fine structure of the density of states near the Fermi energy alone, without the necessity of the introduction of drastic spin fluctuations or many-body effects.

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The purpose of this work was to investigate the optical properties of several high T/sub c/ compounds in the form of sputtered films. The measurements are used toward this end: optical absorptance (using a calorimetric technique near 4.2K), which yields (after Kramers-Kronig analysis) the complex dielectric function, and thermoreflectance (which measures the change in reflectance in the optical range when a 1 to 10/sup 0/K temperature wave is applied), performed at two ambient temperatures (80 and 300/sup 0/K), yielding the differential dielectric function. The sputtered films included Nb/sub 3/Ge, Nb/sub 3/Al, V/sub 3/Ga and Nb/sub 3/Ir. It is noted that Nb/sub 3/Ir is not a high T/sub c/ superconductor. The thermoreflectance on the bulk samples V/sub 3/Si, V/sub 3/Ge and single crystal Cr/sub 3/Si were not performed because the samples were not in the form of thin films. The thermomodulation studies are correlated with the absorptance measurements in comparison ...

International Nuclear Information System (INIS)

Angle resolved valence shell photoelectron spectra of chloromethane and iodomethane have been recorded using synchrotron radiation in the photon energy range 14-120eV. These have allowed photoelectron angular distributions and branching ratios to be determined not only for the main bands associated with the single-hole states but also for the satellite structure due to many-electron effects. The continuum multiple scattering approach has been used to calculate photoelectron asymmetry parameters and branching ratios for the valence orbitals of CH_3Cl and CH_3I, and also for the I 4d subshell. A comparison between the experimental data and the theoretical predictions has enabled the influence of Cooper minima, shape resonances and intershell coupling to be assessed. The asymmetry parameters and branching ratio for the spin-orbit split components of the CH_3I"+X-bar "2E state have been measured and exhibit a spectral behaviour ...

International Nuclear Information System (INIS)

We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing ...

Science.gov (United States)

The author compares the UHF Follow-On and MILSTAR satellite communication systems. The comparison uses an analytical hierarchy process. Although the two systems have been tasked with different missions, a comparison of cost, capability, and orbit is conducted. UFO provides many of the same capabilities as MILSTAR, but on a smaller scale. Since UFO is also a new space system acquisition, it is used to compare dollars spent to field a viable communication system. A review of frequency bands, losses, and problems is conducted to establish the relationship. Cost data is provided to establish the major difference in the systems. While MILSTAR does possess more total capability than UFO, it is 10 times more costly. Additionally, UFO is a satellite that will evolve with new technology while MILSTAR is built to full capability immediately. In the author's opinion, the incremental performance of MILSTAR does not justify its ...

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The difficulty in making good Ohmic contact at the interfaces with p-doped ZnSe is an important problem hindering the realization of blue-light-emitting diode lasers based on the II-VI semiconductor technology. So far no metal or semiconductor material has been found to have a low enough barrier at the (001) interface with ZnSe. A possible solution to this problem is the insertion of a so-called {ital barrier-reduction layer} at the interface with ZnSe. We have investigated the interface formation energies and valence-band offsets at the (001) interface between Al{sub x}Ga{sub 0.5{minus}x}In{sub 0.5}P and ZnSe. The results of our calculations show the existence of a strong interdependence between the valence-band offset and the interface geometric structure. The interface is found to have structural and electronic similarities to the GaAs-ZnSe(001) system. The very low values obtained for the ...

International Nuclear Information System (INIS)

We give a theoretical design for a locally resonant two-dimensional cylindrical structure involving a pair of C-shaped voids in an elastic medium which we term as double 'C' resonators (DCRs) and imbedded thin stiff bars, that displays the negative refraction effect in the low frequency regime. DCRs are responsible for a low frequency band gap which hybridizes with a tiny gap associated with the presence of the thin bars. Using an asymptotic analysis, typical working frequencies are given in closed form: DCRs behave as Helmholtz resonators modeled by masses connected to clamped walls by springs on either side, while thin bars behave as a periodic bi-atomic chain of masses connected by springs. The discrete models give an accurate description of the location and width of the stop band in the case of the DCR and the first two dispersion bands for the periodic thin bars. We then combine our asymptotic ...

International Nuclear Information System (INIS)

Excited states in the T_z=(1/2) nucleus "8"5Mo have been observed for the first time with the reaction "5"8Ni("3"2S,#alpha#n#gamma#) at 105 MeV. #gamma#-ray transitions in this nucleus have been assigned unambiguously by combining the information from the GASP #gamma#-ray array, the ISIS silicon ball, and the n-Ring neutron detector. Two band structures have been observed in this nucleus; they continue the smooth evolution of the known bands from the lighter N=43 isotones and have been tentatively assigned spins and parity on this basis. After reaching a maximum of collectivity at "8"3Zr, the trend with increasing mass is reversed, showing a smaller collectivity at "8"5Mo. The rotational behavior of the observed bands is discussed on the basis of the projected shell model calculations.

International Nuclear Information System (INIS)

The electronic structure and optical properties in tetragonal ceramics PbTiO_3, are studied by using full-potential linearized augmented plane wave method in density functional theory with the generalized gradient approximation by WIEN2K package. The theoretical calculated optical properties and energy loss spectrum yield a static refractive index of 2.59 and a plasmon energy of 22.7eV for the tetragonal phase. The effective electron number at low energy saturates near 22-23eV with the value of 50 for the effective electron number. The results show a indirect band gap of 2.2eV at the I' point in the Brillouin zone. The :calculated band structure and density of states of PbTiO_3 agree with previous experimental and theoretical results.

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

International Nuclear Information System (INIS)

Calculations of the Compton profiles for the transition metals Ta and W are performed, using electron wave functions obtained from self-consistent augmented plane wave (APW) band structure calculations within the local density formalism of Hedin-Lundqvist. Relativistic effects are included except for the spin-orbit interaction. The observed structures of the Compton profiles in these metals are understood in terms of the topology of their Fermi surfaces. (author).

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The development of structural barriers for nuclear waste packages involves selection of candidate materials, their screening by mechanical and corrosion testing, rigorous accelerated testing, and evaluation and comparison with other package elements. This document presents results from work conducted on titanium and ferrous alloys.

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Spectroscopic constants and absolute intensities from more than 2150 transitions belonging to 52 bands of 7 isotopic species of carbon dioxide have been determined using a multispectrum nonlinear least-squares fitting technique. The spectral data (0.01 cm{sup -1} resolution) were obtained at room temperature and low pressure (<10 Torr) using the McMath-Pierce Fourier transform spectrometer of the National Solar Observatory on Kitt Peak, Arizona. A natural sample of carbon dioxide with absorption path lengths between 24 and 385m were used in recording the spectra. The first measurements have been made of the theoretically predicted 2v{sub 2}{sup 2} 2+v{sub 3} {open_quotes}forbidden{close_quotes} band of {sup 12}CO{sub 2}. Two bands which have not been predicted so far, one belonging to {sup 13}CO{sub 2} and the other to {sup 13}C{sup 16}O{sup 18}O, have been identified. The measured line intensities obtained for each ...

International Nuclear Information System (INIS)

The effects of hydrostatic pressure on the electronic band structure of the semiconductor mineral iron pyrite FeS_2 have been investigated theoretically by an ab initio full-potential linearized-augmented plane wave (FPLAPW) method within a local approximation (LDA/GGA) to the density functional theory. The calculations predict that at a pressure of 94.1 GPa the indirect band gap of pyrite FeS_2 vanishes and the material becomes a metal. This is due to the presence of the S-S and Fe-S bonds, which provide novel energy band distortions in the process of attaining the metallic state. Analysis indicates that, under increasing high pressure, the conduction bands (3p_z of sulfur and 3d_x_"2_-_y_"2+3d_x_y of iron) intrude downwards into the valence bands, which are predominantly 3d in nature. At normal pressure, the lattice constant, the bulk modulus, sulfur position ...

International Nuclear Information System (INIS)

The detailed energy-band structure of hexagonal-close-packed technetium, corresponding to the atomic configuration 4d"55s"2 of its seven outermost valence electrons, has been obtained throughout the Brillouin zone using the composite-wave variational version of the augmented-plane-wave (APW) method in conjunction with the X#alpha# (#alpha# = 0.702 99) exchange approximation for obtaining the potentials. From the band-structure data the electronic density of states (DOS) and the angular-momentum--decomposed DOS were calculated by the accurate Gilat-Raubenheimer method. These quantities were used to calculate the electron-phonon coupling constant and the transition temperature (T/sub c/) using the theories of Gaspari and Gyorffy and of McMillan. Also studied were the Fermi surface and the optical properties of Tc via the imaginary part of the interband dielectric constant for bound electrons, the latter being the first of ...

International Nuclear Information System (INIS)

We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in silver, despite the fact ...

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for three intermetallic compounds of dysprosium. e.g., DyZn, DyCu and DyRh, following the augmented plane wave method. Density of states results are given and have implications for the stability of the structure of the intermetallic compounds of dysprosium. The charge densities and the number of conduction electrons inside and outside the APW spheres in each of these compounds are calculated; it is shown that the character of conduction electrons within the Dy APW sphere is principally of d type for all the compounds. The consequence of the predominance of d electron in the conduction bands on the various physical parameters is discussed. (author).

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New rare earth oxide emitters show greater efficiency than previous emitters. As a result, based on a simple model the efficiency of these emitters was calculated. Results indicate that the emission band of the selective emitter must be at relatively low energy (less than or equal to .52 eV) to obtain maximum efficiency at moderate emitter temperatures (less than or equal to 1500 K). Thus low bandgap energy PV materials are required to obtain an efficient thermophotovoltaic (TPV) system. Of the 4 specific rare earths (Nd, Ho, Er, Yb) studied Ho has the largest efficiency at moderate temperatures (72 percent at 1500 K). A comparison was made between a selective emitter TPV system and a TPV system that uses a thermal emitter plus a band pass filter to make the thermal emitter behave like a selective emitter. Results of the comparison indicate that only for very optimistic filter and thermal emitter ...

International Nuclear Information System (INIS)

The high-spin states in transitional odd-mass nuclei are studied in terms of an odd quasi-particle coupled to an asymmetric rotor with a variable moment of inertia (VMI). In order to take into account the VMI, the basis states are expanded in terms of the core eigenfunctions. Excitation energies, quadrupole moments, magnetic moments, B(E2) values and B(M1) values are calculated and compared with the experimental data for nuclei in Au and La regions. On comparison with other descriptions it is found that the treatment with VMI provides a more satisfactory explanation of the data. (Auth.).

Energy Technology Data Exchange (ETDEWEB)

The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.

British Library Electronic Table of Contents (United Kingdom)

A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb visible light with wavelength up to about 480nm. From the band structure calculation, we found that the top of the valence band consists of the hybridized Ag 4d and O 2p orbitals and the bottom of the conduction band mainly consists of the Ag 5s and the Sb 5s orbitals. Photocatalytic activities were evaluated using O2 evolution from an aqueous silver nitrate solution and decomposition of gaseous 2-propanol under visible light irradiation. We found that AgSbO3 shows a higher O2 evolution activity than WO3 and 2-propanol can be mineralized by the AgSbO3 photocatalysis under visible light irradiation.

International Nuclear Information System (INIS)

The electronic structure of UPd_3 has been determined by means of XPS and BIS experiments. The core level line shapes and the valence band spectra of occupied and empty states clearly reveal the localized character of the 5f electrons in this actinide compound. From these spectra their Coulomb correlation energy is found to be about 2 eV. (author).

Energy Technology Data Exchange (ETDEWEB)

The structural and electronic properties of the A-15 compounds Nb{sub 3}Rh and Nb{sub 3}Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb{sub 3}Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A{sub 3}B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter {lambda} as well as of the electronic specific-heat coefficient {gamma} were obtained for both Nb{sub 3}Rh and Nb{sub 3}Nb, which confirms that this latter is a low-temperature superconductor with T{sub c} - 10K.

International Nuclear Information System (INIS)

The self-consistent relativistic linearized-augmented-plane-wave method is applied to local-density calculation of electronic structure of TmS. It is found that thulium monosulphide is a compound with a trivalent state of thulium. The influence of spin-orbital interaction is shown for different symmetry states of electrons. Calculated densities of states are used for the estimation of the electron-phonon coupling constant. And in conclusion it is shown that TmS is a high temperature Kondo-like system. (author).

Energy Technology Data Exchange (ETDEWEB)

Ultraviolet photoelectron spectra were measured for vanadyl phthalocyanine (VOPc) ultrathin films prepared on graphite to study effects of the molecular orientation and the electric dipole layer on the organic electronic states. VOPc has a permanent electric dipole perpendicular to the molecular plane, hence a well-defined electric dipole layer could be intentionally prepared by using the oriented monolayer. The observed binding-energy difference of the highest occupied molecular orbital (HOMO) bands between the oriented monolayer and the double layer was found to agree with the vacuum level shift, leading to a conclusion that the molecular energy level with respect to the substrate Fermi level is changed when the molecule is in the electric dipole layer.

British Library Electronic Table of Contents (United Kingdom)

We investigate two routes to obtain negative group velocity bands in two-dimensional phononic crystal structures. The negative dispersion originates from the resonances of sub-wavelength building blocks and as such, the system should be regarded as acoustic metamaterials. The first kind of acoustic metamaterial exhibits effectively negative bulk modulus and negative mass density simultaneously. Monopolar and dipolar Mie resonances are combined to achieve an effective medium with negative refractive index. In particular, we present a double negative metamaterial for airborne sonic waves. We then show that we can obtain negative group velocity from quadrupole resonances, and the result is explained using the quasi-static approximation. The negative dispersion in quadrupole bands cannot be de...

International Nuclear Information System (INIS)

The band crossing in "1"3"2Ba has been investigated by using the interacting boson model. A broken neutron pair has been coupled to a collective boson core. The boson-fermion interaction hamiltonian contains terms which can transform a boson into a pair of quasiparticles and vice versa. The parameters were partly determined by fitting the collective states of "1"3"2","1"3"4Ba and the yrast states of "1"3"1Ba. The energy backbending has been satisfactorily reproduced. Good agreement of the electromagnetic moments has been reached. The structure of the wave functions has been discussed. (author)

Energy Technology Data Exchange (ETDEWEB)

We present the recent results of our research on the high power ultra-fast silicon RF switches. This switch is composed of a group of PIN diodes on a high purity silicon wafer. The wafer is inserted into a cylindrical waveguide under TE{sub 01} mode, performing switching by injecting carriers into the bulk silicon. Our current design uses a CMOS compatible process and the device was fabricated at SNF (Stanford Nanofabrication Facility). 300 ns switching time has been observed, while the switching speed can be improved further with 3-D device structure and faster driving circuit. Power handling capacity of the switch is at the level of 10 MW. The switch was designed for active X-band RF pulse compression systems--especially for NLC, but it is also possible to be modified for other applications and other frequencies.

International Nuclear Information System (INIS)

A new study on the pressure-induced phase transitions of TiO_2 has been performed using all-electron density-functional theory based computations with the projector augmented wave and the linearized augmented plane wave methods considering five experimentally observed structures. The static results yield a picture that is consistent with experiments, i.e., phase transitions with pressure are predicted as rutile #-># monoclinic baddeleyite (MI) #-># orthorhombic I (OI) #-># cotunnite (OII) on compression, and OII #-># OI #-># MI #-># columbite (TiO_2II) on decompression. The elasticities of these five polymorphs are compared. Except for the baddeleyite structure, which is considerably softer than the other polymorphs, all phases show a zero pressure bulk modulus in the range of 200-240 GPa, consistent with compression results and the single crystal elastic constant; on the basis of these results we can say that the cotunnite ...

DEFF Research Database (Denmark)

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas (2DEG) at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

Science.gov (United States)

Graphene nanosheets (GNSs) were synthesized and used as cathode active materials in a nonaqueous lithium-oxygen battery. The GNSs electrode delivered an extremely high discharge capacity in comparison to carbon powders, which is attributed to its unique morphology and structure. PMID:21779551

Science.gov (United States)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al{sub 0.5}Ga{sub 0.5}As and In{sub 0.53}Ga{sub 0.47}As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, {ital E}({Gamma}{sub 1{ital c}}) of AlP, {ital E}({ital L}{sub 1{ital c}}) of AlAs, and {ital E}({ital L}{sub 1{ital c}}) of AlSb are discussed and attributed to various experimental uncertainties. Several other ...

International Nuclear Information System (INIS)

GaAs1-xPx p-n junction structures were grown on the epi-ready n-type GaAs(100) substrate by solid source MBE system for different phosphor compositions. To obtain the lattice-match sample structure was applied graded growth procedure. The structural and optical properties of the sample structures with different P concentration were investigated by using X-ray diffraction (XRD), spectroscopic ellipsometry (SE). In addition, The range of lattice parameters in the graded epilayer and phosphorous composition were determined from the HRXRD rocking curve simulation. We analyse dielectric function spectra of disordered GaAs1-xPx junction structures measured using spectroscopic ellipsometry at room temperature in the 0.6-4.7 eV photon energy region. The critical energy points such as band gap energy and spin-orbit-split energy of these structures ...

International Nuclear Information System (INIS)

We have already developed three conventional and one periodic permanent (PPM) type 50-MW class klystrons, a smart modulator, and the first HOM-free accelerator structure (Choke-mode type, full-scale high power model). A very stable ceramic high voltage monitor was successfully tested up to 367-kV with a 4.5-#mu#sec pulse. A new C-band SiC type high power rf-load, advancing the power handling capability up to 50-MW is now being designed. It should have excellent mass production characteristics as it uses circularly symmetric TM_0_1_1 chained cavities. The first high power prototype of an rf compressor cavity made of a low thermal expansion material (super Invar) was designed to provide stable operation even with a very high Q of 200-k, it was successfully tested the output rf power up to 135-MW, 0.5-#mu#sec pulse width and 50-pps repetition rate. The C-band linac rf-system will be used for the SASE-FEL (SCSS) production ...

International Nuclear Information System (INIS)

The CaWO_4:Ln"3"+ SiO_2 (Ln=Tb, Dy and Ho) nanoparticles were synthesized via a combustion process at 800 "oC, using citric acid as chelating agent and fuel, ammonium nitrate as fuel, boric acid as flux material and silica as supports. The persistent phosphor nanoparticles were characterized by X-ray diffraction (XRD), reflectance UV-vis and fluorescence spectroscopy (PL) and transmission electron microscopy (TEM) techniques. XRD patterns indicated that crystalline calcium tungstate with scheelite structure was produced. The reflectance UV-vis spectra showed the broad absorption band of WO_4"2"- groups and the PL spectra showed the WO_4"2"- wide excitation band, broad emission band of WO_4"2"- and characteristic emissions of Ln"3"+ ions. The average particle sizes were determined by TEM, which are about 50 nm.

International Nuclear Information System (INIS)

Molar heat capacities have been measured for VHsub(n) and NbHsub(n) with n up to 1.93 at temperatures between 1.5 and 16 K. The height of the peak in plots of the electronic specific heat, indicating superconductivity, diminishes with increasing hydrogen content in the #alpha# + #beta# two-phase region, and can be taken as a measure of the fractional amount of #alpha#-phase present (lever-rule). In NbHsub(n) accordingly, the two-phase region presumably extends up to n = approximately 0.9 at helium temperatures. No hydride phase, including VH_2 and NbH_2, showed superconductivity above 1.5 K. The measured #gamma#-coefficients of the V/H-alloys agree with APW band-structure calculations for V metal in the range 5 =< nsub(e) =< 7 of band electron concentration. They coincide with the #gamma#-coefficients of V/Cr-alloys reported in the literature. Hence VHsub(n) represents another example of the 'shifting bands' concept ...

International Nuclear Information System (INIS)

We report the results of a linearized augmented-plane-wave calculation of the electronic structure of fcc La at three lattice constants corresponding to ambient pressure, 50, and 120 kbars. The Kohn-Sham-Gaspar approximation for exchange and correlation is used and the potential is allowed a fully non-muffin-tin form. The f bands lie approx.2--2.5 eV above the Fermi level and are approx.1 eV wide, resulting in a very small (0.05 electrons) localized f occupation. Under pressure the f bands rise and broaden appreciably, resulting in only a slight increase in f occupation. The rigid-muffin-tin approximation for the electron-phonon interaction lambda overestimates the superconducting transition temperature T/sub c/ by 40%, but we find that the drastic increase in T/sub c/ under pressure can be attributed primarily to changes in the electronic stiffness eta. Structural transitions which occur at 25 and 53 ...

International Nuclear Information System (INIS)

We have performed self-consistent (SC) band structure calculations for the A15 compounds V_3X and Nb_3X, X = Al, Ga, Si, Ge, and Sn, using the augmented-plane-wave (APW) method. Relativistic effects (except the spin-orbit interaction) have been included in each SC cycle, along with corrections to the usual muffin-tin approximation. The latter apply the APW wave functions outside of the muffin-tin spheres to compute the interstitial charge densities and potentials. The resulting interstitial potential has full cubic symmetry (no spherical averaging), although a spherically averaged muffin-tin form is retained inside the spheres. The final SC potentials were used to generate energies and wave functions on a cubic mesh of 35 k points in 1/48th of the Brillouin zone. These results were interpolated onto a finer mesh of 969 k points using a symmetrized Fourier method; the densities of states (DOS), N (E), were determined using tetrahedral ...

Energy Technology Data Exchange (ETDEWEB)

The structure of hydroxylated oxide films (passive films) formed on Cr(110) in 0.5 M H{sub 2}SO{sub 4} at +0.35, +0.55, and +0.75 V/SHE has been investigated by in situ scanning tunneling microscopy (STM). Cathodic reduction pretreatments at {minus}0.54, {minus}0.64, and {minus}0.74 V/SHE destroy the well-defined topography of the single-crystal electrode and they have been excluded from the passivation procedure. Two different passive film structures have been observed, depending on the potential and time of passivation. At low potential (+0.35 V/SHE), the passive film, consisting mostly of chromium hydroxide, has a noncrystalline and granular structure whose roughness suggests local variations of thickness of ca. {+-} 0.5 nm. A similar structure is observed at higher potential (+0.55 V/SHE), but only for a short polarization time. For longer polarization at 0.55 V/SHE, and at higher potentials (+0.75 ...

Energy Technology Data Exchange (ETDEWEB)

The passive films formed on 316L stainless steel in various NaCl solutions have been investigated by capacitance measurements (Mott-Schottky). Pitting parameters have been determined using the galvano-kinetic polarisation method. The obtained results reveal the existence of a shallow and a deep donor level localised in the band gap of the semiconducting oxide film. These energy levels are due to iron ions in the tetrahedral and octahedral positions. It also appears that the participation of the deep donor level effects the electric field. The study developed allows us to compare characteristic parameters of the electronic structure of the passive film to those related to pitting susceptibility. (authors) 25 refs.

International Nuclear Information System (INIS)

Cluster calculations of the electronic structure and charge distribution in V_3Si have been performed using two different molecular orbital methods: a semiempirical LCAO and the MS X#alpha# model. The results are compared with X-ray emission spectra and band structure calculations. An analysis of the calculated electronic distribution reveals a charge transfer from Si-atoms to V-atoms, the additional charge on a V-atom being 0.6e (LCAO) and 0.4e (MS X#alpha# method). The results are in good agreement with experiment, which indicates that the cluster approach is adequate for the description of charge distributions and spectra characteristics of the A-15 compounds. (author).

Energy Technology Data Exchange (ETDEWEB)

Water vapor is well known to be a critical component in many aspects of atmospheric research, such as radiative transfer and cloud and aerosol processes. This requires both improved measurements of the columnar water vapor and its profiles in the atmosphere in a wide range of conditions, and adjustment of water vapor parameterizations in radiation codes including the perfection of spectroscopic parameters. In this paper we will present the results of comparison of our calculations and downward solar fluxes measured with Rotating Shadowband Spectroradiometer under conditions of horizontally homogeneous clouds. We also will discuss the sensitivity of atmospheric radiation characteristics to variations of water vapor in the band 940 nm: these results may be useful for development of new methods of retrieval of the total column water vapor content (WVC) in the atmosphere from data of radiation observations.

International Nuclear Information System (INIS)

The electron structure of the A-15 compounds is studied by accounting for the Hubbard energy as the highest energy parameter. The conditions for the Cooper instability origination are obtained. The superconducting transition temperature dependence on the degree of filling the d- and p-shells of the transition and nontransition elements is determined. The relationship between the transition temperature and the energy jumpover along the chains, which allows comparison with the experiment, is established. Qualitative explanation of the Mattias empiric rules is presented

International Nuclear Information System (INIS)

In this study, free electron laser (FEL) with selective wavelength was used to induce structure changes of biomolecules, which were characterized by FTIR spectroscopy. For understanding of the interactions between FEL and biomolecules as well as biological tissues, the biomolecules investigated are ATP, ADP, AMP, t-RNA, D-ribose and the complex of SmCl_3-D-ribose. Their FTIR spectra before and after irradiation of FEL show molecular structure variations of the samples after irradiation of FEL, especially the rearrangement of their hydrogen bond networks. Along with the various irradiation wavelengths, irradiation time and molecular structures, the changes after irradiation are different for these molecules. In the FTIR spectra after irradiation, the phenomenon that the bands split into several peaks indicates the existence of several structures, conformations and configurations, ...

International Nuclear Information System (INIS)

The band structure (BS) of crystalline Bi_2Se_2Te both pure as well as deposited on Si or SiO_2 (substrates) was calculated for the first time. The calculation approach consists of an orthogonalization of the plane wave basis set with respect to the core-like orbitals and the application of the Perdew-Alder exchange-correlation scheme. In addition, a virtual crystal approach was applied. Experimental ellipsometric spectra were used as a criterion of the advantages of the different calculation techniques. The results of traditional one-electron methods of BS calculations, using norm-conserving pseudo-potential (NCPP), and full linear augmented plane wave (FLAPW), were compared with the experimental data. Better agreement with experiment is achieved when the NCPP wave functions are orthogonalized to the 4dBi core-like states. Concerning the LMTO and the FLAPW all-electron methods, only appropriate application of the virtual crystal approximation ...

Science.gov (United States)

Charge flow and valence/d-band behavior in ion-beam-mixed (IBM) Pd1-xAgx (x = 0.5-0.9) alloys have been studied by X-ray photoemission measurement of the valence bands and of core-level binding energy shifts and X-ray absorption near-edge structure. We correlated the observed Ag 3d5/2 core-level shifts in these IBM alloys, relative to the elemental Ag, with the White Line area changes at the Pd and Ag L3-edge to investigate the charge redistribution at the Ag site. The results indicate that there is a decrease in sp-like conduction electron and a negligible change in the number of d-electrons at the Ag site upon alloying. These results are in line with our previous results in which Pd gains d-charges and loses sp-type charges. This electron redistribution due to hybridization in the alloy leads small net charge transfer from the Ag site to the Pd site in accordance with electronegativity predictions. This result is ...

Energy Technology Data Exchange (ETDEWEB)

The existence of a narrow peak in the electronic density of states in A-15 compounds is explained by a strong electron--phonon interaction that leads to the polaron narrowing of the band. An analytic expression relating the transition temperature T/sub c/ to the phonon spectrum is derived under the assumption of a weak and an intermediate-strength coupling. The model allows the explanation of the correlation of T/sub c/ with the number of electrons per atom, the temperature dependence of the resistance, the magnitude and temperature dependence of the magnetic susceptibility, and the electronic specific heat.

International Nuclear Information System (INIS)

The results of the study of dimensionally dependent fluorescence of boron difluoride ?-diketonates of general formula (R1COCHCOR2)BF2 are presented. The fact that for most of the compounds studied a noticeable hypsochrome shift of the luminescence band maximum is characteristic during transition from bulk crystals to microcrystals was detected. However, for boron difluoride dibenzoylmethanate having a unique supramolecular structure, a bathochromic shift of luminescence due to the crustal size reduction is observed. The dimensionally dependent luminescence properties of the complexes have been analyzed within the exciton mechanism

Energy Technology Data Exchange (ETDEWEB)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu{sub 2}Si{sub 2} and EuPd{sub 2}Si{sub 2} ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value {nu}{sup cr}{sub eff}=2.1, corresponding to degeneration of the 4f{sup 7} and 4f{sup 6} configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

CERN Document Server

(abridged) We present a study of stellar population of LAEs at z=4.86 in GOODS-N and its flanking field. With the publicly available IRAC data in GOODS-N and further IRAC observations in the flanking fields, we select five LAEs which are not contaminated by neighboring objects in IRAC images and construct their observed SEDs with I_c, z', IRAC 3.6micron, and 4.5micron band photometry. The SEDs cover the rest-frame UV to optical wavelengths. We derive stellar masses, ages, color excesses, and star formation rates of five LAEs using SED fitting method. Assuming the constant star formation history, we find that the stellar masses range from 10^8 to $10^{10} Msun with the median value of 2.5x10^9 Msun. The derived ages range from very young ages (7.4 Myr) to 437 Myr with a median age of 25 Myr. The color excess E(B-V) are between 0.1-0.4 mag. Star formation rates are 55-209 Msun/yr. A comparison of the stellar populations is made between three LAEs ...

International Nuclear Information System (INIS)

We report the results of a theoretical study of the electronic and structural properties of the hexagonal beryllium nitride, using first principle pseudopotential plane wave (PP-PW) as well as full potential linearized augmented plane wave (FP-LAPW) methods within density functional theory. In the case of PP-PW we generated the pseudopotential by the highly optimized Q_c-tuning method and used the local density approximation and generalized gradient approximation (GGA) for the exchange-correlation potential. We applied pressure on the unit cell by the Wentzcovitch and traditional methods. In the FP-LAPW approach only the GGA was used for the exchange-correlation potential. Our calculated values for structural properties, based on both approaches are in reasonable agreement with experimental and other theoretical (Hartree Fock) results. By applying the above two approaches and also the Tight Binding Linear Muffin Thin Orbital method, the ground ...

International Nuclear Information System (INIS)

The phase transition behaviour of polyethylene-b-poly(ethylene oxide) (PE-b-PEO) diblock copolymer with relatively short chain lengths has been studied on the basis of temperature dependent infrared and Raman spectral measurements and synchrotron WAXD/SAXS simultaneous measurements, from which the concrete structural changes were deduced successfully from the various levels of molecular chain conformation, chain packing mode and higher-order structure. The higher-order structure has been found to transform between lamella, perforated lamella, gyroid, cylinder and sphere structures. The inner structural changes occurring in the polyethylene and poly(ethylene oxide) parts have been related with these morphological changes. The morphological transition from lamella to gyroid occurs with keeping the crystalline state of polyethylene parts. This apparently curious transition can be ...

Science.gov (United States)

The vortex-excited dynamics of a uniform pivoted cylinder in uniform and sheared flow was investigated experimentally. The experiments were numerically simulated using a diffusive Van der Pol oscillator model developed by Balasubramanian & Skop recently. Salient features of the experimental investigations and the numerical simulations are presented here. Comparisons between the experimentally recorded and numerically predicted structural response to vortex-excited vibrations, power spectral density measurements of near-wake velocity fluctuations and lock-in ranges are made. A comparison of the numerical predictions and the experimental data reveals good agreement.

Energy Technology Data Exchange (ETDEWEB)

Fourier transform infrared absorption spectroscopy has been used for the determination of the line strengths of 41 CO and CO[sub 2] absorption lines at temperatures between 295 and 1250 K. The CO vibrational-rotational lines were from the [ital P] branch of the fundamental absorption band (2150--1950 cm[sup [minus]1]) while the CO[sub 2] vibrational-rotational lines were from the far wing of the [ital R] branch of the [nu][sub 3] fundamental band (2395--2380 cm[sup [minus]1]). The intensities of the lines were measured from absorption spectra recorded in a high-temperature gas cell containing known concentrations of CO/CO[sub 2]/N[sub 2] gas mixtures at atmospheric pressure. Absorption spectra were recorded through the cell with the use of a moderate-resolution Fourier transform infrared spectrometer. The absorption spectra were mathematically corrected for distortions resulting from the finite resolution of the spectrometer and for peak ...

Energy Technology Data Exchange (ETDEWEB)

A new class of one-dimensional active acoustic metamaterials (AAMMs) with programmable effective densities is presented. The proposed AAMM is capable of producing densities that are orders of magnitudes lower or higher than the ambient fluid. Such characteristics are achieved by using an array of fluid cavities separated by piezoelectric diaphragms that are controlled to generate constant densities over wide frequency bands. The piezodiaphragms are augmented with passive electrical components to broaden the operating frequency bandwidth and enable densities higher than the fluid medium to be generated. The use of these components is shown to be essential to maintain the closed-loop compliance of the piezodiaphragm away from the zone of elastic instabilities. The values of the passive components are selected on a rational basis in order to ensure a balance between the frequency bandwidth and control voltage. With this unique structure of the ...

International Nuclear Information System (INIS)

Moss-Schottky plots and photoelectrochemical measurements were made on films formed at different potentials on AISI 304 stainless steel in a borate/boric acid solution, pH 9.2. The results allowed the determination of the semiconductive properties and band structure of the films, which account for the existence of two kinds of films depending on the formation potential. For potentials below 0 V (SCE), the results point out for a film with an inverse spinel structure constituted by Cr-substituted magnetite with two donor levels. Above 0 V only one donor level is detected, which should be Fe"2 "+ on tetrahedral sites.

Energy Technology Data Exchange (ETDEWEB)

AZ31 magnesium alloy was friction-welded to AM60 and the microstructures and the friction welding process were studied. The microstructures changed near the weld interface. The AZ31 was refined to a grain size of several {mu}m near the weld interface. The nucleation occurred in the shear bands that were introduced during the welding process. On the other hand, the eutectic structure was deformed and the lamellar structure which was composed of {alpha}-Mg and Mg{sub 17}Al{sub 12} was formed near the weld interface in AM60 alloy. In the friction process, the adhesion and peel off occurred alternately between AZ31 and AM60. Eventually, bonding was completed during upset process. (orig.)

International Nuclear Information System (INIS)

O.K. Andersen has recently introduced a linear augmented plane wave method (LAPW) for the calculation of electronic structure that was shown to be computationally fast. A more general formulation of an LAPW method is presented here. It makes use of a freely disposable number of eigenfunctions of the radial Schroedinger equation. These eigenfunctions can be selected in a self-consistent way. The present formulation also results in a computationally fast method. It is shown that Andersen's LAPW is obtained in a special limit from the present formulation. Self-consistent test calculations for copper show the present method to be remarkably accurate. As an application, scalar-relativistic self-consistent calculations are presented for the band structure of FCC lanthanum. (author).

International Nuclear Information System (INIS)

Passive films formed on Alloy 690 in different pH solutions at high temperatures were studied by potentiodynamic polarization, Auger electron spectroscopy, thermodynamic diagrams and the Mott-Schottky relation. The chemical compositions and electronic structures of the passive films were found to be strongly pH-dependent. In alkaline solutions, a secondary passivation was clearly observed on potentiodynamic polarization curves. The passive films were a mixture of Cr2O3 and FeCr2O4 below the flat band potential of nickel oxide and were NiFe2O4 above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.

Energy Technology Data Exchange (ETDEWEB)

The 4025/2 bands in [sup 177]Ta which are ''identical'' to the neighboring even-even [sup 176]Hf groundstate band have been extended to higher angular momentum. These bands in the two nuclei are seen to diverge from each other in the region of the first i[sub 13/2] neutron alignment. The lower observed crossing frequency for the 4025/2 bands indicates a lower deformation for these bands compared to [sup 176]Hf. Extensions to the h[sub 9/2] 5411/2 yrast band are also reported. (orig.)

International Nuclear Information System (INIS)

For the intermetallic system CaCdsub(1-x)Tlsub(x), 0 <= x <= 1, the Knight shift Ksub(s) of the Cd-NMR and the Tl-NMR were calculated as a function of x, Ksub(s) = Ksub(s)(x). The theoretical investigations were performed on the basis of relativistic augmented-plane-wave (RAPW) band-structure calculations for the boundary phases CaCd and CaTl respectively, and by using the rigid band model for the ternary phases. The density of states and the matrix elements of the relativistic hyperfine operator for electron states at the Fermi surface were calculated in detail. The obtained values were compared with nonrelativistic calculations. The effect of using different exchange potentials was studied for Ksub(s)(Tl). For the Cd-NMR the relativistic effects enhance the nonrelativistic results by a factor of about 1.4. The theoretical value for the Knight shift is smaller than the experimental one by a factor of 1.13. The band ...

International Nuclear Information System (INIS)

Indoline dye sensitizers were designed and studied theoretically to increase molar extinction coefficients in the visible to near infrared region for solar-cell devices. To gain insight into dye sensitizers' structural, electronic, and optical properties, DFT/TDDFT calculations were performed on a series of dye sensitizers derived from the D149. The good agreement between the experimental and TDDFT calculated absorption spectra of the D149 sensitizer allowed us to provide a detailed assessment of the main spectral features of a series of dye sensitizers. Increase in the conjugation length resulted in a more red-shifted spectral response and less positive oxidation potential than that of the D149. The dye with the dimethylfluorene group showed stronger absorption bands due to a large dipole moment. The calculated dipoles for the dye series correlate well with the observed strong absorption bands of the electronic spectra. ...

Energy Technology Data Exchange (ETDEWEB)

Silver silica nanocomposites were obtained by the sol-gel technique using tetraethyl orthosilicate (TEOS) and silver nitrate (AgNO{sub 3}) as precursors. The silver nitrate concentration was varied for obtaining composites with different nanoparticle sizes. The structural and microstructural properties were determined by x-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM). X-ray photoelectron spectroscopic (XPS) studies were done for determining the chemical states of silver in the silica matrix. For the lowest AgNO{sub 3} concentration, monodispersed and spherical Ag crystallites, with an average diameter of 5 nm, were obtained. Grain growth and an increase in size distribution was observed for higher concentrations. The occurrence of surface plasmon resonance (SPR) bands and their evolution in the size range 5-10 nm is studied. For decreasing nanoparticle size, a redshift and ...

International Nuclear Information System (INIS)

We report, for the first time to our knowledge, on the active optical planar waveguides in Nd : YAG laser crystals fabricated by O3+ ion implantation at low doses of ?1014 ions cm-2. The reconstructed refractive index profiles based on the measured dark-mode spectroscopy show that an enhanced refractive index well is created in the near-surface region, forming a non-leaky waveguide structure. With thermal annealing treatment at 260 0C for 90 min, the propagation losses of the waveguides could be reduced to ?3 dB cm-1 at a wavelength of 632.8 nm. The micro-luminescence investigation reveals that the emission bands of Nd3+ ions are not significantly affected by the waveguide formation processing, which shows promising potentials for efficient waveguide laser operations at near-infrared wavelength bands.

International Nuclear Information System (INIS)

Nitrogen doped Diamond-like carbon thin films were deposited on n-Si and SiO_2 substrates by rf magnetron sputtering using pure graphite (99.999%) as the target material and mixtures of Ar, N_2 and H_2 for plasma generation. The dependence of structural and optical properties on nitrogen content was investigated using XPS, Raman spectroscopy, FT-IR spectroscopy, and Ellipsometry studies. It was found that as the nitrogen content was increased in the plasma, sp"2 bonding favored. Also it was observed that oxygen contamination increased with nitrogen content. Typical C-H stretching modes connected with diamond-like carbon could be seen in FT-IR spectra. The I_D and I_G bands were well defined and it was observed that as nitrogen content increased I_G band was enhanced. Ellipsometry studies revealed that the optical constants like refractive index (n) and extinction co-efficient (k) increased with increase in nitrogen content ...

Energy Technology Data Exchange (ETDEWEB)

In this study, WO{sub 3} thin films were grown on glass substrates using an aqueous solution containing tungstate (NH{sub 4}){sub 2}WO{sub 4} as precursor. The substrate temperature incremented from 250 to 500 deg. C, by steps of 50 deg. C. The structural properties were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. Microprobe analyses showed that a balanced stoichiometric composition was obtained for thin films prepared at T{sub s} = 350 and 400 deg. C. The X-ray diffraction analyses showed different structure crystallography in function of the substrate temperature. Moreover, films deposited at 400 deg. C were annealed in air for 2 h at 450 and 500 deg. C, respectively and the structural changes due to heat treatment were studied. Finally, the optical properties of these films were carried out using optical measurements of transmittance T({lambda}) and reflectance ...

Science.gov (United States)

We describe the Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) Early Release Science (ERS) observations in the GOODS-South field. The new WFC3 ERS data provide calibrated, drizzled mosaics with FHWM=0.07--0.15" in the near-UV (filters F225W, F275W, and F336W) and near-IR (F098W, F125W, and F160W) in typically 2 orbits per filter. Together with the existing HST/ACS GOODS-S mosaics in the BVi'z' filters, the 10-band ERS data cover 40-50 sq. arcmin to AB=26-27.0 mag (10-sigma for point sources). In this poster, we describe the: (1) scientific rationale, data taking and reduction procedures of the WFC3 ERS mosaics; (2) object cataloging and star-galaxy separation techniques used in these 10 different filters; (3) reliability and completeness of the 10-band object catalogs from the ERS mosaics; (4) object counts in 10 different filters from 0.2-1.7 microns to AB=26.0-27.0 mag; and (5) the full-color 10-band ERS images. ...

Energy Technology Data Exchange (ETDEWEB)

A number of different theoretical approaches have been used to model to atomic structure and properties of solid-liquid interfaces. Most calculations indicate that ordering occurs in the first several layers of the liquid, adjacent to the crystal surface. In contrast to the numerous theoretical investigations, there have been no direct experimental observations of the atomic structure of a solid-liquid interface for comparison. Saka et al. examined solid-liquid interfaces in In and In-Sb at lattice-fringe resolution in the TEM, but their data do not reveal information about the atomic structure of the liquid phase. The purpose of this study is to determine the atomic structure of a solid-liquid interface using a highly viscous supercooled liquid, i.e., a crystal-amorphous interface.

Energy Technology Data Exchange (ETDEWEB)

We present the results of a comprehensive study of the temperature dependences of the quantum efficiency for ultraviolet detectors based on GaAs, GaP and 4H--SiC Schottky structures, and on Si, GaAs p-n structures. For ultraviolet detectors based on Schottky structures, the quantum efficiency increases with increasing temperature for all photon energies, even including the semiconductor intrinsic absorption region. On the other hand, for ultraviolet detectors based on p-n structures, the quantum efficiency is practically temperature independent in the semiconductor intrinsic absorption region. The change in the quantum efficiency for the GaAs and Si detectors is less than 0.01% per degree. To explain the measurements, a variable trap occupancy model is presented. Subsurface imperfections of the semiconductor cause fluctuations in the profile of the conduction band and the valence ...

International Nuclear Information System (INIS)

Exploration for epithermal Au has been active lately in the Aegean Sea of the eastern Mediterranean Basin, both in the islands of the Quaternary arc and in those of the back-arc region. The purpose of this study was the structural mapping and analysis for a preliminary investigation of possible epithermal gold mineralization, using remotely sensed data and techniques, structural and field data, and geochemical information, for a specific area on the Island of Lesvos. Therefore, Landsat-TM and SPOT-Pan satellite images and the Digital Elevation Model (DEM) of the study area were processed digitally using spatial filtering techniques for the enhancement and recognition of the geologically significant lineaments, as well as algebraic operations with band ratios and Principal Component Analysis (PCA), for the identification of alteration zones. Statistical rose diagrams and a SCHMIDT projection Stereo Net were generated from ...

International Nuclear Information System (INIS)

A computational procedure is proposed to perform uncertainty analysis for the calculation of the isotopic inventory and radiological quantities obtained as a linear function of it, due to uncertainties in the activation cross sections. The method is applied to determine the uncertainty of the calculated shallow burial index (SBI) from activated type 304 stainless steel (SS) in the most neutron-exposed zone of the HYLIFE-II vessel structure. Results are obtained by means of an element-by-element study. Some other types of steel are also investigated for comparison purposes. The SS304 is confirmed to be the most promising steel option. 16 refs., 2 tabs.

International Nuclear Information System (INIS)

A study is made into microhardness and structure of coatings on various system steels (37G2S, 25Kh5M, R6M5), obtained by ion nitriding in a low pressure (10"-"1 Pa) arc discharge plasma. A comparison of properties is accomplished for steels nitrided in an arc gas discharge and in a furnace. It is stated that ion-plasma nitriding in an arc gas plasma generator is an efficient method of alloy steels hardening which allows changing the structure and increasing the hardness of a surface layer up to rather great depth

Energy Technology Data Exchange (ETDEWEB)

Crystal structure of monoclinic telluric acid ammonium phosphate (TAAP) has been studied by an X-ray diffraction method in the paraelectric phase at 333 K and in the ferroelectric phase at room temperature. It is confirmed that the space group in the paraelectric phase is P2/n. Comparison of the results between the two temperatures suggests that the plane which is made by the PO{sub 4} tetrahedron linked by hydrogen bonds has an important role for the ferroelectric phase transition. This plane is almost parallel to the direction of spontaneous polarization.

International Nuclear Information System (INIS)

The properties of "1"7"7Ta and sup(181, 182, 187)Re states are discussed in the framework of the rotational model with the Coriolis coupling. The relations are obtained for calculating magnetic moments by this model in the jlK representation. The valent-nucleon spin polarization found on the basis of a comparison of the experimental values of magnetic moments with the calculated ones, is shown to depend on the number of nucleons of the same type.

Energy Technology Data Exchange (ETDEWEB)

Substantial changes in the radial distribution function of amorphous Si films have been observed in neutron-diffraction studies. The spectra indicate changes in short-range order associated with an approx.11% modification in the bond-angle distribution width. The results allow the first direct comparison of structural and vibrational Raman probes of variations in local order in thin-film amorphous solids. Good agreement is obtained between the measured bond-angle variation and that based on Raman estimates.

International Nuclear Information System (INIS)

The optical properties of uranium monochalcogenides and monopnictides are discussed in terms of their electronic structure. A comparison is made with corresponding rare earth compounds. It is shown that there are close similarities to mixed valence CeN. the results support the occurrence of a dip in the density of d states near Esub(F), where the f density of states has its maximum. Empirical energy level schemes are derived which are found to agree with the existing information from XPS measurements and recent theories. (orig.).

Science.gov (United States)

The advanced technologies of Ka-Band systems such as high gain spot .... sometimes used based on link requirements for a specific application. .... received at NASA LeRC from a Ku-band satellite and retransmitted to the USAT at Ka-Band. .... and to the Office of Management and Budget, Paperwork Reduction Project ...

International Nuclear Information System (INIS)

Tris(8-quinolinolato)aluminum(III) (Alq3) shows electronic absorption bands at 378, 360 (in a 1:1 mixed solvent of methanol and ethanol (ME) at 77 K), 334, 316, 300, 263, 255.8, and 233 nm in ethanol at room temperature. According to the polarized fluorescence excitation spectrum together with MO calculations, for instance, the 360 nm band is assigned to an LL CT transition (an intramolecular charge transfer transition between two ligands), and the 378 nm band to an LM/ML CT one (an intramolecular charge transfer transition between ligand and metal). Alq3 shows a broad fluorescence band peaking at around 478 nm in the ME matrix at 77 K. The emission spectrum measured with a phosphoroscope has two emission bands at 567 and 478 nm. The 567 nm band accompanies vibronic bands at 578 and 605 nm, being safely assigned to a phosphorescence of Alq3. ...

CERN Document Server

The existence of n-particle n-hole deformed yrare bands in the N=28 isotones is explored using full pf-shell diagonalizations and the Lanczos Strength Function method. We find different 2p-2h and 4p-4h collective bands that, when allowed to mix, more often disappear. Only the 2p-2h yrare band in Cr-52 and the 4p-4h yrare band in Ni-56 survive, and only in this latter case, due to the reduced density of 2p-2h states, can the band be seen as a gamma-cascade.

International Nuclear Information System (INIS)

Nonparabolicity of the heavy hole band in diamond-like semiconductors, which occurs within the framework of the three band model with the perturbation from the other bands taken into account according to the Loewdin procedure, is studied. A direct dependence of nonparabolicity on the band anisotropy (caused by the different effect of Gamma/sub 15c/ and Gamma/sub 12c/ bands) and the inverse dependence on the magnitude of the spin-orbit splittiing is established. A connection between the effective mass of heavy holes and their energy is obtained, which is valid for the majority of diamond-like semiconductors, except for materials with a very strong nonparabolicity of the band of silicon type.

International Nuclear Information System (INIS)

Three major monomeric hemoglobins have been isolated from the erythrocytes of Glycera dibranchiata. Their importance to structure-function studies of heme proteins lies in the fact that they have been shown to possess an exceptional amino acid substitution. In these proteins, the E-7 position is occupied by leucine rather than the more common distal histidine. This substitution alters the polarity of the heme ligand binding environment compared to myoglobin. Due to this, the G. dibranchiata monomer hemoglobins are attracting much attention. However, until now no purity criterion has been developed. Here the authors demonstrate that, for all of the Glycera momomer hemoglobins, multiple line patterns are shown on high-voltage isoelectric focusing (IEF) gels. Most of these lines are shown to be a consequence of heme-related phenomena and can be understood on the basis of changes in oxidation and ligation state of the heme iron. The multiple line pattern does not ...

Energy Technology Data Exchange (ETDEWEB)

Polycrystalline ZnS semiconducting films have been prepared in sandwich configuration by spray pyrolysis technique using ZnO-coated glass substrates and mixed aqueous solutions of ZnCl{sub 2} and thiourea. The sandwich structures have been produced successfully by means of ZnO-coated glass substrates. The produced ZnS films have been crystallized in a wurtzite structure and had a direct band gap energy of 3.62 eV. The electrical properties of the sample have been studied by an analysis based on the thermally stimulated current spectra in the temperature range of 40-300 K with various heating rates. A set of curves of I (T) for varying initial density of filled traps at a heating rate of {beta} {sub 2}=0.06 K s{sup -1} indicate that the observed peaks in the TSC curve of polycrystalline ZnS films have first-order features. In order to evaluate the trap parameters of ZnS films, we have used curve-fitting method. The values of ...

International Nuclear Information System (INIS)

Excitonic transitions in metalorganic vapor phase epitaxially grown In_xGa_1_-_xP/In_0_._4_8(Al_0_._7Ga_0_._3)_0_._5_2P strained single quantum-well structures are characterized using low-temperature photoluminescence and photoluminescence excitation (PLE) spectroscopies. The structures consist of several uncoupled quantum wells with thicknesses between 1.2 and 11.3 nm, and compositions x of 0.48 (nominally lattice matched) and 0.56 (#approx#0.6% biaxial compressive strain). The photoluminescence spectra exhibit intense peaks over the wavelength range 550--650 nm, with linewidths between 7 and 23 meV depending on the well thickness. The PLE spectra reveal strong heavy-hole and light-hole transitions, as well as higher-order (n=2) transitions in the thicker wells. The heavy-hole/light-hole splitting shows little dependence on well thickness in the strained structures, indicating a relatively large conduction ...

Energy Technology Data Exchange (ETDEWEB)

The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured emissions in the ...

Science.gov (United States)

Basic research of the structure and electronic properties of a-Si:H is reported with particular emphasis on the role of defects. The main findings are as follows: (1) low defect density material can be deposited at a high rate using SiH/sub 4/ diluted in He or Ne. Using Ar or Kr results in a high defect density and columnar material; (2) an electrical bias during deposition modifies the band gap, hydrogen concentration and structure; (3) the clustering of hydrogen in the regions between the columns is confirmed; (4) hydrogen diffusion is observed by NMR; (5) the oxidation of an a-Si:H surface results in approx. 3 x 10/sup 11/ cm/sup -2/ dangling bonds at the interface; (6) auger recombination of photoexcited carriers is a significant non-radiative mechanism at low temperatures; (7) non-radiative recombination by diffusion and capture at dangling bonds is observed at temperatures above 50 to 100/sup 0/K; (8) the defect ...

International Nuclear Information System (INIS)

We present results from the first studies of electric-field effects on optical transitions in visible-band-gap InGaP/InAlGaP multiple-quantum-well (MQW) structures. These structures, grown at 775 degree C by metalorganic vapor phase epitaxy on (100) GaAs substrates misoriented 6 degree towards P(111)right-angle left-angle 111 right-angle A, consist of nominally undoped MQWs surrounded by doped In_0_._4_9Al_0_._5_1P cladding layers to form p-i-n diodes. The Stark shifts of various allowed and forbidden quantum-well transitions were observed in bias-dependent electroreflectance spectra of In_0_._4_9Ga_0_._5_1P/In_0_._4_9(Al_0_._5Ga_0_._5)_0_._5_1P MQW samples with 10-nm-thick layers. We find the magnitude of these shifts to depend on the details of the Mg doping profile, confirming the importance of Mg diffusion and unintentional background doping in these materials. Our results show that (InAlGa)P materials are promising for ...

Science.gov (United States)

Space Network Ku-band service. ... Completed GLAST mission schedule and budget assessment .... Utilize Ku band SN link (TDRSS) for science data return ...

Energy Technology Data Exchange (ETDEWEB)

A micellar method has been used to prepare silver-coated cobalt (Co-Ag) nanoparticles. The synthesized particles have been deeply characterized by several methods, i.e., XRD, UV-Vis, TEM, XPS, and electrochemical techniques. There is every indication that the obtained particles show a truly core-shell structure. All the nanoparticles obtained under different conditions are in the size range 3-5 nm. High-resolution TEM (HRTEM), Fast Fourier Transformation (FFT), and Selected Area Electron Diffraction (SAED) indicated that the presence of hcp-Co and fcc-Ag, in which cobalt is located in the central area; meanwhile silver is at the edges of the nanoparticle. The absorption band of the Co-Ag colloid shifts to a longer wavelength and broadens relative to that of pure silver colloid. Voltammetric characterization allowed to determine the coverage of the cobalt core.

DEFF Research Database (Denmark)

We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure and density of states for a periodic potential modulation, referred to as an antidot lattice, and find that localized states appear, when designed defects are introduced in the lattice. Such defect states may form the building blocks for quantum computing in a large antidot lattice, allowing for coherent electron transport between distant defect states in the lattice, and for a tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins.

CERN Document Server

We present mid-infrared spectro-imagery and high-resolution spectroscopy ofthe Orion bar and of a region in the Orion nebula. These observations have beenobtained in the Guaranteed Time with the Circular Variable Filters of the ISOcamera (CAM-CVF) and with the Short Wavelength Spectrometer (SWS), on board theEuropean Infrared Space Observatory (ISO). Our data shows emission fromamorphous silicate grains from the entire HII region and around the isolatedO9.5V star Theta2 Ori A. The observed spectra can be reproduced by a mixture ofinterstellar silicate and carbon grains heated by the radiation of the hotstars present in the region. Crystalline silicates are also observed in theOrion nebula and suspected around Theta2 Ori A. They are probably ofinterstellar origin. The ionization structure and the distribution of thecarriers of the Aromatic Infrared Bands (AIBs) are briefly discussed on thebasis of the ISO observations.

Science.gov (United States)

Homogenous Al{sub x}Ga{sub 1{minus}x}P liquid phase epitaxial layers have been obtained with the temperature difference method under controlled vapor pressure (TDM-CVP). Very clear fine structures near band edge in photoluminescence spectra have been observed at 77 K for the first time. Photoluminescence measurement results confirmed that the free exciton recombination without phonon assistance plays an important role in the luminescence at 77 K and becomes dominant at room temperature. It is considered that Zero-phonon assisted free exciton recombination is intensified by some local perturbations to electrical potentials against carriers or excitons introduced by Al atoms in Al{sub x}Ga{sub 1{minus}x}P layers, which can give momentum change necessary for recombination.

International Nuclear Information System (INIS)

Photocurrent and capacitance measurements of semiconductor passive films formed on metals and alloys can be used to study the electronic properties and reveal indirect information about structure and composition. The current work used these techniques to investigate the electronic properties of the passive films formed on three austenitic stainless steels, types 304L, 316L and 254SMO, in borate. Evidence was found for the existence of a large number of localised mid bandgap states, consistent with amorphous oxides. However, the flat-band potentials of the austenitic stainless steel passive films were found to be independent of both composition and measuring frequency. The most credible explanation for the bandgap values determined from photocurrent measurements is that the passive films are formed as dual layers, iron oxide outer layer and chromium oxide inner layer. This model does not need to evoke the potential dependent bandgaps used by ...

British Library Electronic Table of Contents (United Kingdom)

Abstract High-crystallinity hierarchical anatase TiO2 hollow spheres were prepared by a high-temperature (350 C) and non-aqueous solvothermal method in the absence of water, templates, or additives. The hollow structures were assembled from highly crystallized TiO2 nanoparticles and exhibit superior photocatalytic properties relative to those of Degussa P25 TiO2 under irradiation with UV light. The influence of reaction temperature on the crystallinity, morphology, crystallite shape and size, band gap, specific surface area, and pore size distribution of TiO2 has been studied in detail. It is evident that reaction temperature is the most important factor to increase the crystallinity of TiO2 in order to improve its charge transfer and transport properties, which are important in photocatal...

British Library Electronic Table of Contents (United Kingdom)

A two-dimensional (2D) lattice model with anisotropic resonant microstructures is found to provide an anisotropic band gap structure. A 2D continuum with anisotropic effective mass density is introduced to represent this lattice system. Two methods are proposed to derive the equivalent continuum. In the first method, the effective mass density of the equivalent continuum is obtained by matching the dispersion relations for harmonic waves propagating in the principal directions. The second approach employs an approximate estimation of the effective mass density by volume-averaging an effective mass that represents the resonant microstructure. For both equivalent continuum models, the effective mass density is frequency-dependent and may become negative in certain frequency ranges. Subsequen...

International Nuclear Information System (INIS)

Intermediate products of the conversions of 6-aminophenalenone in ethanol were investigated by pulse radiolysis. In alkaline medium the main product is the 6-aminophenalenone radical cation, the optical absorption spectrum of which contains two bands with maxima at 355 and 400 nm. The precursors of this particle are e_s, CH_3CHOH and CH_3CHO"- radicals. In neutral and acid medium, radical cations are protonated in reactions with alcohol and hydrogen ions. The H-adduct of 6-aminophenalenone that arises has optical absorption maxima at 350 and 390 nm. The presence of two maxima is due to two different structures of the product. The molar extinction coefficients of the radical anions and H-adducts of 6-aminophenalenone and the rate constants of the reactions involving them were estimated. 6 refs., 4 figs., 2 tabs.

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.

CERN Document Server

We study the ground state of an ideal coupled two-component gas of ultracold atoms in a one dimensional optical lattice, either bosons or fermions. Due to the internal two-level structure of the atoms, the Brillouin zone is twice as large as imposed by the periodicity of the lattice potential. This is reflected in the Bloch dispersion curves, where the energy bands regularly possess several local minima. As a consequence, when the system parameters are tuned across a resonance condition, a non-zero temperature topological first order phase transition occurs which arises from an interplay between initernal and kinetic atomic energies. It is shown that these phenomena are also captured for two and three dimensional optical lattices.

Science.gov (United States)

Using Pd and Ag L3,2-edge x-ray-absorption near edge structures (XANES) and x-ray photoemission spectroscopy, we have investigated the charge distribution in a series of Pd-Ag alloys (Pd3Ag, PdAg, and PdAg3) from a local perspective. It is found that, relative to the pure element, both Pd and Ag gain d and lose non-d (s and p) charge upon alloying. The results are discussed in terms of band filling, rehybridization, electronegativity, and electroneutrality considerations. The possibility of using the L3,2-edge XANES white line to circumvent the need of an appropriate volume for charge transfer discussions and for other applications are noted.

Energy Technology Data Exchange (ETDEWEB)

The low-power operation of a semiconductor buried-heterostructure Raman laser is reported. We are developing these devices for very wide-band optical communication in the terahertz frequency region. It has a structure with a GaP active layer and Al{sub {ital x}}Ga{sub 1{minus}{ital x}}P cladding layers, which are grown by the temperature-difference method under controlled vapor pressure. By making the stripe width 30--40 {mu}m, we have obtained a threshold pump power of 500 mW. A low-threshold semiconductor Raman laser can be pumped by semiconductor injection lasers. We have measured the optical loss of the waveguide and detected the contribution from scattering and leakage at heterointerfaces.

British Library Electronic Table of Contents (United Kingdom)

In the present study the optical properties of co-evaporated indium sulfide thin films are investigated. Before being optically characterized, the composition as well as the crystalline properties of the film have been checked with the help of energy dispersive spectroscopy (EDX) and X-Ray diffraction (XRD) analyses. The optical absorption coefficient ? of this indium sulfide film has been deduced from reflectivity R(?) and transmission T(?) measurements. The fit of the curve representing ?(h?) suggests that the ?-In2S3 has an indirect bandgap of 2.01?eV. Density functional theory (DFT) calculations are performed on this indium sulfide compound, using TB-LMTO code. Through these band structure investigations, an indirect bandgap is predicted as observed experimentally. The top of the valen...

International Nuclear Information System (INIS)

Complete text of publication follows. According to the new European regulations (Restrictions of Hazardous Substance Directive), there is an emerging demand for environmental friendly metal treatments instead on formerly used chromate conversion coating technique. The aim of the present investigations was to characterise and compare silicon containing protective thin layers on roughened galvanized steel surfaces (with average roughness of 0.7 microns), using FTIR microscopy and imaging techniques. The silicon containing coatings were produced either by Chemical Vapour Deposition (CVD) or by wet chemical treatment using liquid silane. FTIR techniques offer new possibilities in the characterisations and chemical mapping of differently coated thin films, besides SEM+EDS, AFM, nanoindentation, XPS measurements (P. Nemeth et al., Materials Science Forum, 589 (2008) 433-438). All measurements were carried out by a Varian FTS-7000 spectrometer with a 'Stingray' microscope configuration ...

Energy Technology Data Exchange (ETDEWEB)

The Oxycoal burner for pulverised coal combustion previously developed by the authors has been scaled up to typical power plant dimensions and a CFD study of pulverised coal combustion in a 1200 MWth oxy-firing furnace has been performed. The study revealed the importance of modelling the flue gas radiation behaviour for flue gas temperatures and wall heat transfer. This was done using a non-grey implementation of the Exponential Wide Band Model (EWBM). Typically, comparisons between air and oxy-fired furnaces point out that to obtain similar flame behaviour, the oxygen content in oxy-firing conditions should be increased until the same adiabatic flame temperature is reached. However, it was found that for these conditions, significantly increased wall heat fluxes can be the result. Furthermore, at gas temperatures comparable to air combustion, particle burnout is accelerated in oxy-firing due to the influence of heterogeneous gasification ...

CERN Document Server

Gemini North adaptive optics imaging spectroscopy is presented for the Galactic ultra-compact HII (UCHII) region K3-50A. Data were obtained in the K-band using the Near-infrared Integral Field Spectrograph (NIFS) behind the facility adaptive optics module ALTAIR in natural guide star mode. The NIFS data cube reveals a complex spatial morphology across the 0.1 pc scale of the 3'' UCHII region. Comparison of the nebular emission to Cloudy ionization models shows that the central source must have an effective temperature between about 37000 K and 45000 K with preferred values near 40000 K. Evidence is presented for sharp density variations in the nebula which are interpreted as a clearing of material nearest the central source. High excitation lines of FeIII and SeIV show that the ionization of the nebula clearly changes with distance from the central source. A double lobed kinematic signature (+/- 25 kms) is evident in the Br gamma line map which ...

International Nuclear Information System (INIS)

These experiments were performed on the Isocele separator, on-line with the Orsay synchrocyclotron; thulium isotopes were produced by bombarding natural erbium targets with 150nA beam of 157MeV protons. Two Ge(Li) detectors, with resolution of 2.3 and 2.5keV at 1332keV used for #gamma#-ray measurements; conversion electron spectra were measured using a Si(Li) detector. #gamma# spectra, #gamma#-#gamma# coincidence and conversion electron measurements were sufficient to build the flow energy level schemes of the transitional "1"5"8Er and "1"5"6Er nuclei. On both nuclei several quasi rotational bands have been identified. These results are compared with other even erbium isotopes and with the neighboring N=88 and 90 isotones. Comparisons with predictions issued from some classical models are also performed: "1"5"8Er appears as a deformed nucleus very similar to "1"6"0Er and "1"6"2Er; on the other hand "1"5"6Er seems to be a soft vibrational ...

CERN Document Server

We examine the observable properties of simulated barred galaxies including radial mass profiles, edge-on structure and kinematics, bar lengths and pattern speed evolution for detailed comparison to real systems. We have run several simulations in which bars are created through inherent instabilities in self-consistent simulations of a realistic disc+halo galaxy model with a disc-dominated, flat rotation curve. These simulations were run at high (N=20M particles) and low (N=500K) resolution to test numerical convergence. We determine the pattern speeds in simulations directly from the phase angle of the bar versus time and the Tremaine-Weinberg method. Fundamental dynamics do not change between the high and low resolution, suggesting that convergence has been reached in this case. We find the higher resolution is needed to simulate structural and kinematic properties accurately. The edge-on view of the higher-resolution ...

International Nuclear Information System (INIS)

Electron charge distributions are presented for Nb_3Ge, Nb_3Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb_3Ge is also investigated.

Science.gov (United States)

Electron charge distributions are presented for Nb/sub 3/Ge, Nb/sub 3/Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb/sub 3/Ge is also investigated.

British Library Electronic Table of Contents (United Kingdom)

Summary Dietary fibres are believed to reduce subjective appetite, energy intake and body weight. However, different types of dietary fibre may affect these outcomes differently. The aim of this review was to systematically investigate the available literature on the relationship between dietary fibre types, appetite, acute and long-term energy intake, and body weight. Fibres were grouped according to chemical structure and physicochemical properties (viscosity, solubility and fermentability). Effect rates were calculated as the proportion of all fibre-control comparisons that reduced appetite (n-=-58 comparisons), acute energy intake (n-=-26), long-term energy intake (n-=-38) or body weight (n-=-66). For appetite, acute energy intake, long-term energy intake and body weight, there were cl...

Science.gov (United States)

The bands may be classified as primary if they merge into the eyewall encircling the eye of the storm, or secondary if they are disconnected from the ...

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Lifetimes have been measured for a dipole band in {sup 139}Sm using DSAM. The deduced B(M1) and B(E2) values as well as B(M1)/B(E2) ratios are compared with calculations in the framework of the TAC (Tilted Axis Cranking) and SPAC (Shears mechanism with Principal Axis Cranking) models. The dipole band in {sup 139}Sm can be considered as a magnetic rotational band with a prolate or triaxial nuclear deformation. (orig.)

KoreaScience (Korea)

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J-STORE (Japan)

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International Nuclear Information System (INIS)

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn_2 and ZrV_2 have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at E/sub F/ in ZnZr_2. The most important difference between the materials ZrZn_2 and ZrV_2 is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the ...

Science.gov (United States)

Room-temperature continuous-wave (cw) operation is achieved in the MBE (molecular-beam epitaxy)-grown InGaP/InGaAlP double-heterostructure (DH) visible laser diodes with a threshold current of 110 mA. The lasing wavelength and threshold current density under pulsed operation are 666 nm and as low as 3.9 kA/cm/sup 2/, respectively. This result is achieved by the introduction of H/sub 2/ into the growth chamber during growth, the continuous growth from one layer to the next layer, and the introduction of a GaAs buffer layer. InGaP/InGaAlP quantum well structures are also grown. From photoluminescence measurements, the conduction-band discontinuity ..delta..E/sub c/ is estimated to be 0.43 of the band-gap difference ..delta..E/sub g/. Furthermore, the multiquantum-well (MQW) structure is found to be stable under thermal treatment at temperatures as high as 750 /sup 0/C. Room-temperature pulsed operation of ...

CERN Document Server

The design of a small injection linac for a compact medical synchrotron is discussed. The linac design is based on interdigital H-type (IH) drift-tube structure with alternative phase focusing (APhF). A high acceleration rate and an absence of magnetic lenses inside drift-tubes reduce the cost and length of APhF-IH linac in comparison with HIMAC linac based on Alvarez structure with magnet quadrupoles inside drift-tubes. To reduce effects of emittance growth, the RFQ structure is used in front of the APhF linac. In such linac layout, the current transmission of a carbon beam can reach up to 90-100%. In this report, the basic parameters of whole linac are presented, while the design of APhF structure is considered in details. Two reference designs of 4 MeV/u 200 MHz APhF linacs with different voltage distributions along the whole tank have been generated and analyzed numerically. For ...

International Nuclear Information System (INIS)

In this work, new LaSi3N5:Ce3+ phosphors have been synthesized by solid-state reaction. Rietveld refinement of the crystal structure of La1-xCexSi3N5 reveals that Ce atoms substituted for La atoms occupy 4a crystallographic positions. Broad emission and excitation bands observed were attributed to the transitions between the doublet ground state of the 4f1 configuration and the crystal field components of the 5d1 excited state. At 77 K, the centroid and crystal field splitting ?cfs of the 5d levels of Ce3+ in LaSi3N5:Ce3+ compounds were valuated at 33.4x103 and 11.3x103 cm-1, respectively. The zero-phonon line and the Stokes shift were measured to be 26.0x103 and 5.0x103 cm-1, respectively.

International Nuclear Information System (INIS)

Electrodeposition of semiconducting iron oxide (Fe_2O_3) thin film was carried out from an alkaline sulphate bath. A 0.1 M ferrous sulphate (FeSO_4#centre dot#7H_2O) was complexed with 0.1 M citric acid. By addition of 1 N NaOH, pH of the solution was made alkaline (pH=9) and deposition of iron oxide (Fe_2O_3) thin films was carried out potentiostatically at room temperature (300 K). From cyclic voltametry (CV), electrochemical studies were carried out for deposition of iron oxide thin films. The XRD studies reveal that Fe_2O_3 with epsilon (#epsilon#) phase having monoclinic crystal structure is formed. By observing scanning electron microscope (SEM), it is seen that iron oxide films were homogeneous, uniform and well covered to surface of the substrate. Grain size was found to be in nanometers range from XRD analysis. The optical band gap of Fe_2O_3 thin film was estimated to be 1.90 eV. Electrical resistivity was order of 10"4 #OMEGA# cm. ...

CERN Document Server

Context. We present a multi-wavelength, high-resolution observational survey of the young binary system Haro 6-10 (GV Tau, IRAS 04263+2426), which is harbouring one of the few known infrared companions. Aims. The primary goal of this project is to determine the physical and geometrical properties of the circumstellar and circumbinary material in the Haro 6-10 system. Methods. High-resolution optical (HST/WFPC2) and near-infrared (VLT/NACO) images in different bands were analysed to investigate the large-scale structures of the material around the binary.Mid-infrared interferometry (VLTI/MIDI) and spectroscopy (TIMMI2 at the 3.6m ESO telescope) were carried out to determine the structure and optical depth of the circumstellar material around the individual components. Results. The multi-wavelength observations suggest that both components of the binary system Haro 6-10 are embedded in a common envelope. The measured ...

International Nuclear Information System (INIS)

The crystal structure and phonon densities of states (DOS) of #beta#'-SiAlON ceramics, Si_6_-_zAl_zO"zN_8_-_z (0 #<=# z #<=# 4), prepared by a novel slipcast method, are studied by neutron-scattering techniques. The samples with z < 4 form a single-phase solid solution of Si-Al-O-N isostructural to #beta#-Si_3N_4 (space group P6_3/m). A consistent preferential occupation of the 2c sites by oxygen atoms and the 6h sites by nitrogen atoms exists within this structure. The phonon DOS of #beta#'-SiAlON displays phonon bands at #approx#50 and 115 meV. These features are considerably broader than the corresponding ones in #beta#-Si_3N_4 powder.

Science.gov (United States)

One-electron reduction of the square-planar nickel precursor (PNP)NiCl ( 1) (PNP (-) = N[2-P(CHMe 2) 2-4-methylphenyl] 2) with KC 8 effects ligand reorganization of the pincer ligand to assemble a Ni(I) dimer, [Ni(mu 2-PNP)] 2 ( 2), containing a Ni 2N 2 core structure, as inferred by its solid-state X-ray structure. Solution magnetization measurements are consistent with a paramagnetic Ni(I) system likely undergoing a monomer dimer equilibrium. The room-temperature and 4 K solid-state X-band electron paramagnetic resonance (EPR) spectra display anisotropic signals. Low-temperature solid-state X-band EPR data at 4 K reveal rhombic values g z = 1.980(4), g x = 2. 380(4), and g y = 2.225(4), as well as a forbidden signal at g = 4.24 for the Delta M S = 2 half field transition, in accord with 2 having two weakly interacting metal centers. Utilizing an S = 1 model, full spin Hamiltonian simulation of the ...

Energy Technology Data Exchange (ETDEWEB)

In marine seismic exploration, an approximately two-mile long hydrophone cable is towed behind the ship. The commonly employed cable consists of a kerosene-filled hose enclosing hydrophones, electrical wires, and steel ropes. The kerosene provides buoyancy while the steel ropes are for structural support. For deep-water operations, the cable is pulled through the water at a depth of 20-40 feet. For shallow water, a bottom reference configuration is used and the cable is dragged. This paper presents a comparison of electroacoustic properties between a newly designed, buoyant solid cable and those of the conventional kerosene-filled hose. The emphasis is on drag cable operations. Cable maintenance is a major problem. Jacket cuts occur because of improper handling or collisions with other ships, subsea structures, and debris. Kerosene leakage causes buoyancy loss and the need for immediate replacement. Salt water intrusion ...

International Nuclear Information System (INIS)

The crystal structure, electronic structure, and photoluminescence properties of EuxSi6-zAlz-xOz+xN8-z-x (x=0-0.1, 0xMySi6-zAlz-x-yOz+x+yN8-z-x-y (M=2Li, Mg, Ca, Sr, Ba) have been studied. Single-phase EuxSi6-zAlz-xOz+xN8-z-x can be obtained in very narrow ranges of x?0.06 (z=0.15) and z2+ ions can be incorporated into nitrogen-rich Si6-zAlzOzN8-z. The Eu2+ ion is found to occupy the 2b site in a hexagonal unit cell (P63/m) and directly connected by six adjacent nitrogen/oxygen atoms ranging 2.4850-2.5089 A. The calculated host band gaps by the relativistic DV-X? method are about 5.55 and 5.45 eV (without Eu2+ 4f5d levels) for x=0 and 0.013 in EuxSi6-zAlz-xOz+xN8-z-x (z=0.15), in which the top of the 5d orbitals overlap with the Si-3s3p and N-2p orbitals within the bottom of the conduction band of the host. EuxSi6-zAlz-xOz+xN8-z-x shows a strong green emission with a broad Eu2+ band ...

Energy Technology Data Exchange (ETDEWEB)

Forced vibration experiment has been conducted for the reactor building of Sendai Unit 1 nuclear power plant. The beam vibrational behaviors of the outer shielding building and the internal concrete structure have been observed by using a 50 tf vibration for low frequency region, and a 10 tf vibration for high frequency region, respectively. The outline of the experimental methods, the data handling system and the major results of experiment are described. The experimental results were simulated by an analytical model. The proper vibrational frequency and the vibration modes obtained by the analysis were compared with those obtained by the experiment. By these comparisons, the adequacy of the analytical method employed for the design was confirmed.

Science.gov (United States)

The metal-semiconductor solar cell is a potential candidate for converting solar energy to electrical energy for space and terrestrial application. In this paper, a method for obtaining parameters of practical antireflection (AR) coatings for the metal-semiconductor solar cells is given. This method utilizes the measured equivalent index of refraction obtained from ellipsometry, since the surface to be AR coated has a multilayer structure. Both the experimental results and theoretical calculations of optical parameters for Ta/sub 2/O/sub 5/ AR coatings on Au-GaAs and Au-GaAs/sub 0.78/P/sub 0.22/ solar cells are presented for comparison. (AIP)

CERN Document Server

A new metaheuristic optimisation algorithm, called Cuckoo Search (CS), was developed recently by Yang and Deb (2009). This paper presents a more extensive comparison study using some standard test functions and newly designed stochastic test functions. We then apply the CS algorithm to solve engineering design optimisation problems, including the design of springs and welded beam structures. The optimal solutions obtained by CS are far better than the best solutions obtained by an efficient particle swarm optimiser. We will discuss the unique search features used in CS and the implications for further research.

British Library Electronic Table of Contents (United Kingdom)

ObjectiveTo characterize global structural features of large-scale biomedical terminologies using currently emerging statistical approaches.DesignGiven rapid growth of terminologies, this research was designed to address scalability. We selected 16 terminologies covering a variety of domains from the UMLS Metathesaurus, a collection of terminological systems. Each was modeled as a network in which nodes were atomic concepts and links were relationships asserted by the source vocabulary. For comparison against each terminology we created three random networks of equivalent size and density.MeasurementsAverage node degree, node degree distribution, clustering coefficient, average path length.ResultsEight of 16 terminologies exhibited the small-world characteristics of a short average path le...

Energy Technology Data Exchange (ETDEWEB)

A number of materials of composition YSr{sub 2}Cu{sub 3-x}MxO{sub 7{+-}y} with M = Ti, Fe, Co, Al, Ga and Pb were prepared by solid state reactions. They belong to the tetragonal P4/mmm space group and their unit cell parameters were determined and refined from X-ray powder data. The infrared spectra of the compounds were also recorded and are briefly discussed on the basis of their structural characteristics and by comparison with those of related materials. (orig.) 23 refs.

Energy Technology Data Exchange (ETDEWEB)

An all-atom polarizable chloroform (CHCl{sub 3}) potential model has been developed using the classical molecular dynamics techniques. This potential is shown to reproduce reasonably well the structural, dynamical, and thermodynamic properties of bulk liquid CHCl{sub 3} at various temperatures and pressures. With this potential, we carried out computer simulations to investigate the CHCl{sub 3}-H{sub 2}O liquid/liquid interface. Detailed structural and electrical properties at the interface will be analyzed via the density profile, radial distribution functions, molecular orientation, hydrogen bonding, and the z-dependent dipole distributions. Comparison will also be made to the results of the CCl{sub 4}-H{sub 2}O liquid/liquid interface.

Energy Technology Data Exchange (ETDEWEB)

A model describes the effect of changes to the pore structure on the mechanical properties of semi-coke during coking. The gap tensile experiment makes it possible to determine the mechanical properties of the coke and semi-coke; a theoretical analysis is valid for the deformation of samples in the gap tensile test, by which the gap tensile strength of the coke can be determined, and by which a method for the simultaneous determination of the effective modulus of elasticity was developed. The effect of the pore structure on the mechanical properties is given in semi-empirical equations. The main point here is to check whether a pore in the coke can be regarded as a Griffith crack, and whether the interaction of pores can be neglected. A model which takes the pore distribution into account was also developed and tested. A model for the change of pore structure during coking, which includes the contraction of the semi-coke, ...

Energy Technology Data Exchange (ETDEWEB)

Authors retrospectively analyzed the CT findings of mediastinal lesions in surgically or clinically confirmed 37 cases at Kosin Medical College during recent 4 years from September 1979 to August 1983. 1. Among 37 caes, malignant lymphoma were 7 cases, thymoma and vascular lesion or anomaly were 5 cases respectively, benign teratoma and tuberculous mediastinal lymphadenitis and neurogenic tumor were 4 cases respectively, pericardial cyst were 2 cases, bronchogenic cyst, non-specific cyst, pancreatic pseudocyst, mesothelioma, Bochdalek hernia was 1 case respectively. 2. The sex ratio between male and female was about 1 : 1 and the majority of the patients with malignant lymphoma and teratoma was under 20 years old. 3. CT findings of the each mediastinal lesion. 1) Primary mediastinal malignant lymphoma. (1) A large, matted, continuous and midline-crossing mass was observed in the superior and the anterior mediastinums in all cases. (2) In 3 cases, irregular lower densities were seen in ...

British Library Electronic Table of Contents (United Kingdom)

The Formula Not Shown system of Formula Not Shown was first observed in auroral emissions by Meinel in 1950. Although the Formula Not Shown band system has been reinvestigated since this first spectral study, no laboratory spectrum of the (2,1) vibronic band has been obtained. We have recently built a continuous-wave cavity ringdown spectrometer, and as a first test of this spectrometer we observed the (2,1) band of Formula Not Shown in a positive column discharge cell. Many lines of the first positive band system of Formula Not Shown were also identified during the process of assigning this spectrum. The relative intensities of the Formula Not Shown and Formula Not Shown bands were found to change with discharge cell pressure, and so each spectral region was observed at two pressures to a...

International Nuclear Information System (INIS)

Uniform and transparent thin films of Zn_1_-_xCo_xO (0 #=# 0.035, CoO (cubic) was detected as the secondary phase. Influence of Co addition on the volume fraction of grain boundaries has been interpreted. Increase in Co content in the range 0 #<=# x #<=# 0.10 led to quenching of near-band edge and blue emissions, decrease in band gap energy (E_g) from 3.36 eV to 3.26 eV, decrease in film thickness and refractive index and an increase in extinction coefficient of Zn_1_-_xCo_xO thin films. The change in nature of stress from compressive to tensile with lower to higher doping of Co is corroborative with the angular peak shift of (002) plane of ZnO lattice. An overall increase in microhardness of Zn_1_-_xCo_xO thin films up to x = 0.05 is attributed to change in microstructure and evolution of secondary phase and as the secondary phase separates out the overall stress is released leading to lowering of hardness after this concentration. ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# x-ray intensity ratios of Fe and Ni in pure metals and in Fe_xNi_1_-_x alloys (x=0.20, 0.50, 0.58) exhibiting similar crystalline structure have been measured following excitation by 59.54 keV #gamma# rays from a 200 mCi "2"4"1Am point source to understand why the properties of the Fe_xNi_1_-_x (x=0.2) alloy are distinct from other alloy compositions. The valence electronic structure of Fe and Ni in the samples has been evaluated by comparing the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations. Significant changes in the 3d electron population (with respect to the pure metal) are observed for Fe and Ni for certain alloy compositions. These changes can be explained by assuming rearrangement of electrons between 3d and (4s,4p) band states of the individual metal atoms. It has been found that the valence electronic structure ...

Energy Technology Data Exchange (ETDEWEB)

An essential part of fire risk assessment is the analysis of fire hazards and fire propagation. In this work, models and tools for two different aspects of numerical fire simulation have been developed. The primary objectives have been firstly to investigate the possibility of exploiting state-of-the-art fire models within probabilistic fire risk assessments and secondly to develop a computationally efficient solver of thermal radiation for the Fire Dynamics Simulator (FDS) code. In the first part of the work, an engineering tool for probabilistic fire risk assessment has been developed. The tool can be used to perform Monte Carlo simulations of fires and is called the Probabilistic Fire Simulator (PFS). In Monte Carlo simulation, the simulations are repeated multiple times, covering the whole range of variability of the input parameters and thus resulting in a distribution of results covering what can be expected in reality. In practical applications, advanced simulation techniques ...

Energy Technology Data Exchange (ETDEWEB)

Subsurface and surface coalfires are a serious problem in many coal-producing countries. Combustion can occur within the coal seams (underground or surface), in piles of stored coal, or in spoil dumps at the surface. While consuming a non renewable energy source, coalfires promote several environmental problems. Among all GHGs that are emitted from coalfires, CO2 is the most significant because of its high quantity. In connection to this environmental problem, the core aim of the present research is to develop a hyperspectral remote sensing and radiative transfer based model that is able to estimate CO2 concentration (ppmv) from coalfires. Since 1960s remote sensing is being used as a tool to detect and monitoring coalfires. With time, remote sensing has proven a reliable tool to identify and monitor coalfires. In the present study multi-temporal, multi-sensor and multi-spectral thermal remote sensing data are being used to detect and monitor coalfires. Unlike the earlier studies, the ...

Energy Technology Data Exchange (ETDEWEB)

Full text of publication follows: Energy and environment are two major concerns in our modern society due to the coming shortage in fossil energy sources and the growing of greenhouse gas emissions. The challenge for the coming years is to discover new energy resources and to develop devices that are compatible with a sustainable development and generate few (or zero) emission. One of these devices is the fuel cell feed by hydrogen, whose application fields are very large. In particular, the proton exchange membrane fuel cell (PEMFC) is the most realistic device for automotive application. However, hydrogen storage remains one of the most important challenges regarding its development. Although different techniques are available for storing hydrogen, no ideal solution has been found yet. Compression needs elaborated tanks in shape for supporting high pressures, liquefaction requires an expensive hydrogen cooling and adapted tanks. Chemical storage by hydrides imposes heavy devices. A ...

Energy Technology Data Exchange (ETDEWEB)

Lithium isotope separation by displacement chromatography is studied using fundamental principles; the equations are derived assuming theoretical stages in lithium adsorption bands. The concentration profiles in the band are calculated numerically under unsteady state.

Science.gov (United States)

... to-noise density than the uplink budget has (74.2 ... in heav:, point-to-point link applications with ... 11.7 Expanded bands allocated (Ku band) (500 MHz ...

British Library Electronic Table of Contents (United Kingdom)

The pentenary compound semiconductor Cu(In,Ga)(Se,S)2 is one of the most attractive materials for high-efficiency solar cells due to its tunable band gap to match well the solar spectrum. In this study, semiconducting Cu(In,Ga)(Se,S)2 thin films were prepared by a classical two-step growth process, which involves the selenization and/or sulfurization of In/Cu?Ga precursor. During the precursor formation step metallic In/Cu?Ga alloys were deposited onto the Mo-coated soda-lime glass substrates by DC magnetron sputter process. The respective precursors were subsequently reacted with H2Se and/or H2S gasses, at elevated temperatures. By optimizing the selenization parameters, such as the gas concentrations, reaction time, reaction temperature, and the flow of H2Se and H2S, high quality, single...

British Library Electronic Table of Contents (United Kingdom)

Abstract P/2004 A1 (LONEOS) is one of the few active objects in the dynamical class of Centaurs. It has been recently injected into an inner orbit with a perihelion distance-q-= 5.5 au. The aim of this paper is to characterize the dust coma of this peculiar object, 2.5 yr after its first -new- perihelion passage inside the Solar system. Broad-band visible images taken at the TNG telescope in 2007 February were analysed in order to characterize the dust coma of the Centaur: it was still quite active at-rh-= 6.5 au post-perihelion, with a coma and a well-developed wide tail-like structure, with a measured-R-Af= 162 10-cm in an aperture radius = 104 km. The (V---R) colour and the reddening values depict a scenario of a slightly red dust coma. A dust mass-loss rate of--= 133 kg-s-1 is derived ...

Energy Technology Data Exchange (ETDEWEB)

The Sloan Digital Sky Survey (SDSS) started a new phase in August 2008, with new instrumentation and new surveys focused on Galactic structure and chemical evolution, measurements of the baryon oscillation feature in the clustering of galaxies and the quasar Ly{alpha} forest, and a radial velocity search for planets around {approx}8000 stars. This paper describes the first data release of SDSS-III (and the eighth counting from the beginning of the SDSS). The release includes 5-band imaging of roughly 5200 deg{sup 2} in the Southern Galactic Cap, bringing the total footprint of the SDSS imaging to 14,555 deg{sup 2}, or over a third of the Celestial Sphere. All the imaging data have been reprocessed with an improved sky-subtraction algorithm and a final, self-consistent recalibration and flat-field determination. This release also includes all data from the second phase of the Sloan Extension for Galactic Understanding and Evolution (SEGUE-2), ...

International Nuclear Information System (INIS)

The millimeter microwave source of gyrotron-traveling-wave amplifier (gyro-TWT) is capable of generating high power coherent radiation in a broad bandwidth, while its performance is severely deteriorated by the stability problems. This paper focuses on modeling and the stability analysis of the Naval Research Laboratory (NRL) Ka-band TE01 mode gyro-TWT based on an interaction circuit alternately loaded with lossy ceramic shells and metal rings. The propagation characteristics of the interaction circuit is analyzed first, based on which the boundary impedance method is employed to build an equivalent uniform lossy circuit. Then the stability of the interaction system is studied using linear and nonlinear theories. The analysis reveals that, due to the special waveguide structure and the dielectric loss, the propagation characteristics of the complex waveguide are similar to that of a uniform lossy circuit. The analysis of the absolute ...

Energy Technology Data Exchange (ETDEWEB)

New oxomolybdenum(V) complexes MoOClL (where LH/sub 2/ = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, I.R. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm/sup -1/ due to the transitions dsub(xy)- > dsub(xz,yz) (/sup 2/B/sub 2/- > /sup 2/E) and dsub(xy)- > dsub(x2-y2) (/sup 2/B/sub 2/- > /sup 2/B/sub 1/), respectively. The ..nu..(Mo = O) frequency of the complexes is observed in the 900-970 cm/sup -1/ region. On ...

International Nuclear Information System (INIS)

The nuclear structure of A #propor to# 100 nuclei has been studied in the frame of this thesis with a recently developed #beta# - #gamma# - #gamma# triple coincidence fast timing technique and different models such as shell model, hydrodynamic model, Nilsson and particle-rotor models. This technique which allows the measurement of the level lifetimes in the ps range has been applied at JOSEF at the research reactor DIDO of KFA Juelich in studes of the short-lived neutron-rich nuclei in the A #approx =# 100 region. Lifetimes of level in "9"6,"9"8,"1"0"0 ZR, "9"9,"1"0"1-"1"0"4 Nb, "1"0"0-"1"0"5 Mo have been measured, which are in many cases completely new, and otherwise more precise than previously published data. From the lifetimes of the members of rotational bands, the size of the nuclear deformations has been deduced. (orig./HSI).

CERN Document Server

We search for an infrared signature of the transiting extrasolar planet HD 209458b during secondary eclipse. Our method, which we call `occultation spectroscopy,' searches for the disappearance and reappearance of weak spectral features due to the exoplanet as it passes behind the star and later reappears. We argue that at the longest infrared wavelengths, this technique becomes preferable to conventional `transit spectroscopy'. We observed the system in the wing of the strong nu-3 band of methane near 3.6 microns during two secondary eclipses, using the VLT/ISAAC spectrometer at a spectral resolution of 3300. Our analysis, which utilizes a model template spectrum, achieves sufficient precision to expect detection of the spectral structure predicted by an irradiated, low-opacity (cloudless), low-albedo, thermochemical equilibrium model for the exoplanet atmosphere. However, our observations show no evidence for the presence of this spectrum ...

International Nuclear Information System (INIS)

The structural, morphological and optical properties of vacuum-evaporated CdTe thin films were investigated as a function of substrate temperature and post-deposition annealing without and with CdCl2/treatment at 400 C for 30 min. Diffraction patterns are almost the same exhibiting higher preferential orientation corresponding to (111) plane of the cubic phase. The intensity of the (111) peak increased with the CdCl2/annealing treatment. The microstructure observed for all films following the CdCl2/annealing treatment are granular, regardless of the as-deposited microstructure. The grain sizes are increased after the CdCl2/annealing treatment but now contain voids around the grain boundaries. The optical band gaps, Eg, were found to be 1.50, 1.50 and 1.48 eV for films deposited at 200 K and annealed without and with CdCl2/treatment at 400 C for 30 min respectively. A progressive sharpening of the absorption edge upon heat treatment particularly ...

Energy Technology Data Exchange (ETDEWEB)

Onshore and marine seismic-reflection data obtained near the Trans-Alaskan Crustal Transect (TACT), in the region of the eastern Aleutian trench and lower Cook Inlet, reveal highly reflective midcrustal layering that begins at a depth of 10-15 km within the upper plate of the Aleutian subduction zone. Beneath the continental shelf, midcrustal reflections were recorded over broad areas and occur in subhorizontal bands that are 1 to 3 s thick. The reflections extend beneath complexly deformed late Mesozoic and early Cenozoic accreted rocks that are exposed at the surface. Preliminary interpretation of seismic refraction data indicates that under the shelf the top of the reflections corresponds in depth with a sharp increase in rock velocity, from 5.9 km/s to 6.6 km/s. North and northwest of the shelf, beneath the Chugach and Kenai mountains, midcrustal features dip 20{degree}-30{degree} north or northwest, and below the Chugach Mountains, the top of the reflections ...

International Nuclear Information System (INIS)

We report the detection of X-ray pulsations with a period of ?315.87 ms from the 2009 XMM-Newton observation for the radio-quiet ?-ray pulsar, LAT PSR J0007+7303, centered in the supernova remnant CTA 1. The detected pulsed period is consistent with the ?-ray periodicity at the same epoch found with the Fermi Gamma-ray Space Telescope. The broader sinusoidal structure in the folded light curve of the X-ray emission is dissimilar to that of the ?-ray emission, and the phase of the peak is about 0.5 shifting from the peak in the ?-ray bands, indicating that the main component of the X-rays originates from different sites of the pulsar. We conclude that the main component of the X-ray pulsation is contributed by the thermal emission from the neutron star. Although with a significantly different characteristic age, PSR J0007+7303 is similar to Geminga in emission properties of X-rays and ?-rays; this makes PSR J0007+7303 the second radio-quiet ...

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In this paper, the turbulence structures of premixed impinging jets are investigated by three different experimental techniques: time-resolved particle image velocimetry (TPIV) visualisation, hot wire anemometry (HWA) and acoustic signal processing. The focus is on the TPIV, with the other two techniques providing supplementary information. The 2-D velocities of the impinging jets were obtained by TPIV. The contour maps of velocity derivatives were computed to facilitate the visualisation of the turbulence structure of the reactant part of turbulent impinging flames. Particular attention was concentrated on the turbulence structures out of the burner nozzle and their interactions with the combustion process. It was found that the contour plots are effective in visualising time-dependent structures. It is demonstrated that the derivatives of the velocity field are able to reveal many otherwise hidden ...

Energy Technology Data Exchange (ETDEWEB)

Lifetimes have been measured in the {pi}h{sub 9/2} (yrast) and {pi}i{sub 13/2} (excited) bands in the nuclei {sup 181}Ir and {sup 187}Au using the Recoil Distance Method (RDM). The results clearly indicate that the {pi}i{sub 13/2} band exhibits an increased deformation over the {pi}h{sub 9/2} band, in keeping with the premise that the delayed crossing in this band is due to enhanced quadrupole deformation. (author). 3 refs, 1 fig, 2 tab.