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.

Energy Technology Data Exchange (ETDEWEB)

Surface doping of conjugated polymers is realized by depositing a thin layer of graphene oxide (GO) on top of the polymers. The high proton density and the unique 2D structure of GO facilitate the protonic surface doping of conjugated polymers to achieve high conductivities. This finding represents a new strategy for improving charge transport across the metal/conjugated polymer interface to achieve much improved performance in organic solar cells. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

International Nuclear Information System (INIS)

Thienyl oxazoles and thienyl isoxazoles, are composite molecules having two subsystems thiophene and oxazole molecules connected together by a single bond that they have 13 isomers. They are potential candidates for many kinds of applications such as OLED and nonlinear optical materials. Initially equilibrium geometries of title compounds have been obtained without any restriction using density functional theory with 6-311++g(2d,p) basis set. We obtained structural parameters, dipole moment and electronic energy. At the second stage, we have calculated some electronic and nonlinear optical properties such as HOMO and LUMO energies, polarizability, anisotropic polarizability and hyper polarizability using same level of theory.

Science.gov (United States)

Self-magnetically insulated, high-voltage transmission lines are used in inertial confinement fusion particle accelerators in order to transmit power from the vacuum insulator to the diode. This paper describes a time-dependent 2-D code (MITL) for calculating (for planar or triplate geometries) the motion of test electrons through the tapered input or output convolutes of such lines. MITL results show that the electron canonical momentum in the direction of the flow changes as the electron passes through the convoluted geometry; it is suggested that these electrons lead to losses observed in long self-magnetically insulated lines.

Energy Technology Data Exchange (ETDEWEB)

In the case where sources and receivers are not distributed on a 2-D plane, seismic tomography inversion was studied. In tomography experiments, the existing wells are generally used. In such case, sources and receivers are frequently not distributed on a 2-D plane. The 2.5-D analysis method including 2-D structure and 3-D ray-tracing was thus developed. This method is featured by less memory necessary for ray-tracing calculation, and the same algorithm for velocity determination as 2-D analysis method. In previous methods, since analysis is generally carried out by projecting sources and receivers on a certain assumed 2-D plane, it can derive correct results in the case of constant velocity and straight ray, however, in the other case, it derives incorrect ...

Science.gov (United States)

Based on our cryogenic FT-IR spectroscopic studies of hydrogen bonds in cholic acid, the two-dimensional FT-IR spectroscopy was applied to enhance our understanding of the hydrogen bonds. Fine spectral structures were revealed by asynchronous 2D FT-IR spectra. The co-relationship among various bands was discussed according to the synchronous 2D FT-IR spectra. .

UK PubMed Central (United Kingdom)

In many radiotherapy clinics, geometric uncertainties in the delivery of 3D conformal radiation therapy and intensity modulated radiation therapy of the prostate are reduced by aligning the...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The development of rechargeable lithium batteries with a high mass capacity, made with non-toxic and low cost materials is an important industrial challenge. Morphological and structural modifications occurring in the electrode materials during charge-output cycles should not lower the electrochemical characteristics and the cycling properties of the battery. Thus the structure of electrode materials must be sufficiently deformable and stable to support the constraints linked with lithium intercalation and de-intercalation (ions and electrons absorption/extraction). The aim of this work is to explain some characteristics (mass capacity, ions and electrons mobility, cycling) using the relation between some mechanisms of lithium insertion (sites occupation, lattice reduction mods) and the nature of atoms and chemical bonds (covalence, ionicity). This approach is developed on ...

International Nuclear Information System (INIS)

The structural transition and anomalous properties of the high temperature A-15 superconductors have been investigated from two different standpoints. The first is a Landau theory based on Gorkov's physical model of a Peierls-like charge density wave (CDW) transition involving electronic CDW order parameters coupled to phonon coordinates. Pretransition elastic anomalies, softening of the [1 anti 10] transverse ([1 anti 10] polarized) phonon, sublattice distortions, variation of transition temperature with stress and alloying and other effects have been accurately predicted, and a detailed comparison is made with experimental results. Central peaks in neutron scattering are shown to be non-dynamic in nature and no pretransition forbidden (300) reflection is predicted. The GAMMA_1_2 optic mode does not go soft at the transition, though its frequency is expected to be temperature dependent right up to room temperature. A tight binding, two (3-D) ...

Science.gov (United States)

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International Nuclear Information System (INIS)

Using the linearized augmented-plane-wave (LAPW) -calculated electron and positron charge densities for YBa_2Cu_3O_7, the Brillouin-zone-reduced electron-positron momentum density is computed and the zone-reduced two-dimensional angular correlation of annihilation radiation (2D ACAR) spectrum is produced. The calculations show that the relative weights of the Fermi-surface discontinuities are substantially altered due to the positron preferentially sampling the Cu-O chain region. In addition, the reduced 2D ACAR spectrum contains large k-dependent wave-function effects. The theoretical zone-reduced 2D ACAR spectrum is compared to the several existing experimental spectra. It is concluded that, at present, positron-annihilation experiments do not provide consistent and clear evidence for the existence and shapes of Fermi ...

Energy Technology Data Exchange (ETDEWEB)

The seismic reflection exploration technique which is one of the geophysical methods for oil exploration became effectively to image the subsurface structure with rapid development of computer. As a tool to perform seismic inversion, seismic forward modeling program using ray tracing should be developed. In this study, we have developed the algorithm that is to calculate the travel time of the complex geological structure using ray tracing by subdividing the geologic model into triangular element (finite element) having the constant velocity. We can analytically calculate Jacobian with some information by this current ray tracing. With this Jacobian, we will develop new algorithm which is to obtain geological properties and to image the subsurface. Since the FEM (Finite Element Method) ray tracing we have developed goes well the inverse velocities structure, we can apply the inversion problem to complex geological model. ...

Energy Technology Data Exchange (ETDEWEB)

Computation of effective flow properties of fluids in porous media based on three dimensional (3D) pore structure information has become more successful in the last few years, due to both improvements in the input data and the network models. Computed X-ray microtomography has been successful in 3D pore imaging at micron scale, which is adequate for many sandstones. For other rocks of economic interest, such as chalk and diatomite, submicron resolution is needed in order to resolve the 3D-pore structure. To achieve submicron resolution, a new method of sample serial sectioning and imaging using Focused Ion Beam (FIB) technology has been developed and 3D pore images of the pore system for diatomite and chalk have been obtained. FIB was used in the milling of layers as wide as 50 micrometers and as thin as 100 nanometers by sputtering of atoms from the sample surface. The focused ion beam, consisting of gallium ions (Ga+) accelerated by ...

International Nuclear Information System (INIS)

The excitation cross sections by electron impact from the Cd II ground state to the laser upper state 5s_2 _2D/sub 5/2/ (Beutler state) and the laser lower state 5p _2P/sub 3/2/ (resonance state) have been measured by using a crossed-beam method of electrons and Cd"+ ions and a photon-counting method. The electron-energy region investigated was from the threshold energy (5.8 eV) for the excitation of the 5p _2P/sub 3/2/ state to 20 eV. It has been shown that the excitation cross section for the ionic Beutler state 5s_2 _2D/sub 5/2/ is of the order of 10"-_1_5 cm_2 and has a sharp peak near the threshold energy for the excitation. The excitation cross section for the resonance state 5p _2P/sub 3/2/ has also been of the order of 10"-_1_5 cm_2 and has a relatively broad maximum.

Energy Technology Data Exchange (ETDEWEB)

Lithium-ion batteries are becoming more and more important not only for portable electronic devices, but also in prevision of high power electric vehicles. In such an optic, deep studies regarding all the components of a secondary battery are in development. In this study, high voltage cathode materials have been selected. Crystals with spinel structure have a 3D vacancy pathway suitable for Li-ions transport. The material under study was LiNi{sub 0.5}Mn{sub 1.5}O{sub 4} doped with magnesium replacing the nickel. Various samples were synthesized via three different routes: a solid-state method, a modified sol-gel method and a xerogel method. The structure and morphology of the powders were analyzed with HRTEM and XRD. Electrochemical tests were also performed. A wide range of particle sizes (from micro to nanosize) was the result of the different synthesis routes. Unfortunately pure materials were not always obtained. The ...

Energy Technology Data Exchange (ETDEWEB)

We demonstrate a two-dimensional device simulator for MOSFET structures that incorporates models for defect distributions and show predicted effects on device switching performance for various spatial distributions of defects in amorphous and polycrystalline silicon.

International Nuclear Information System (INIS)

Power devices such as MOSFETSs and IGBTs, include parasitic structures that can give rise to destructive failures such as breakdown and latch-up. To determine a suitable strategy for device radiation hardening, simulation software like MEDICI-2D can be used to model the effects of technological modifications and device parameters that are difficult to measure experimentally. (authors).

Energy Technology Data Exchange (ETDEWEB)

Abstract - We have designed, built, and tested a 2-D pixellated thermal neutron detector. The detector is modeled after the MicroMegas-type structure previously published for collider-type experiments. The detector consists of a 4X4 square array of 1 cm 2 pixels each of which is connected to an individual preamplifier-shaper-data acquisition system. The neutron converter is a 10B film on an aluminum substrate. We describe the construction of the detector and the test results utilizing 252Cf sources in Lucite to thermalize the neutrons.Drift electrode (Aluminum) Converter (10B) 3 mm Conversion gap neutron (-900 V)

Energy Technology Data Exchange (ETDEWEB)

Examination of a chloroform extract of Dracaena loureiri Gagnep (Agavaceae), a Thia medicinal plant possessing antibacterial activity, has led to the isolation of fifteen flavenoids. The biogenic relationships among these flavenoids isolated were briefly discussed. Definition of the skeleton and the unambiguous assignment of all of the protons of the isolates was achieved through extensive 2D-homonuclear chemical shift correlation, nuclear Overhauser effect (NOE) difference spectroscopy and 2D-NOE experiments. The {sup 1}H and {sup 13}C NMR spectra of staurosporine, a potent biologically active agent from Streptomyces staurosporeus, were unambiguously assigned by using 2D homonuclear chemical shift correlation, NOE, {sup 1}H-detected heteronuclear multiple-quantum coherence via direct coupling and via multiple-bond coupling for resonance assignments of ...

CERN Document Server

Steeghs et al. (1997) have found the first convincing evidence for spiral structure in the accretion disc in IP Pegasi. We perform two kinds of 2D hydrodynamic simulations, a SFS finite volume scheme and a SPH scheme, in the case of mass ratio of 0.5. Both results agree well each other. We construct the Doppler maps and line flux-binary phase relation based on the density distributions. Both of our results agree well with those obtained by the observation.

Energy Technology Data Exchange (ETDEWEB)

Groom-Bailey decomposition analysis was carried out to investigate regional 3-D galvanic distortion on MT data in the central part of Northeastern Japan. Measuring sites were located nearly along the east-west line crossing Northeastern Japan. Three measuring lines (A, B, C) from the north to the south were prepared, and only data on the C line were analyzed in this paper. As a result, twist and shear were estimated to be not zero depending on local distortion in most of the sites. It was thus clarified that this method is not always perfect. This method was effective for regional 2-D structures, however, its application was doubtful to complicated 3-D underground structures in Japan. In order to obtain more accurate results, 2-D analysis using the impedance including no local distortion effect was necessary after the preliminary Groom-Bailey decomposition ...

Energy Technology Data Exchange (ETDEWEB)

The Computational Fluid Dynamics(CFD) study was conducted to assess the new design concept introduced to solve the issues on the flow deviation between SG cassettes and the supporting structure design of the flow distributing plate subjected to the flow induced vibration. Flow field from MCP to the bottom of SG was modeled for 2-dimensional(2D) CFD analysis and then sensitivity analysis on major design parameters was conducted using commercial CFD code, Fluent. The cases for detailed 3D analysis were selected based on the result of 2D analysis and the detailed 3-dimensional(3D) analysis was conducted for these selected cases using Fluent code. Flow field was modeled by RNG model and wall function, 2nd upwind scheme, porous model, structured or hybrid grid. The analysis result shows that the maximum deviation of flow distribution between SG cassettes was reduced ...

CERN Document Server

In this paper we develop an analytical framework for the study of electrochemical impedance of mixed ionic and electronic conductors (MIEC). The framework is based on first-principles and it features the coupling of electrochemical reactions, surface transport and bulk transport processes. We utilize this work to analyze two dimensional systems relevant for fuel cell science via finite element method (FEM). Alternate current Impedance Spectroscopy (IS) of a ceria symmetric cell is simulated near equilibrium condition (zero bias) for a wide array of working conditions including variations of temperature and $H_2$ partial pressure on a two dimensional fuel cell sample with patterned metal electrodes. The model shows agreement of IS curves with the experimental literature with the relative error on the impedance being consistently below 2%. Important two-dimensional effects such the effects of thickness decrease and the influence of variable ...

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Numerical simulation of dynamic fracture of concrete slabs, impacted by steel projectiles, was carried out in this study. The concrete response was described by a continuum damage model. This continuum damage model was originally developed to study rock fragmentation and was modified in the present study with an emphasis on the post-limit structural response. The model was implemented into a transient dynamic explicit finite element code LS-DYNA2D and the code was then used for the numerical simulations. The specific impact configuration of this study follows the experiment series conducted by Hanchak et al. Comparisons between calculated results and measured data were made. Good agreements were found.

International Nuclear Information System (INIS)

This paper describes the chemical constituents isolated from aerial parts of the plant Galianthe brasiliensis. From a methanol extract, the iridoid glycosides asperuloside, deacetylasperuloside, mixture of Z- and E-6-O-p-coumaroylscandoside methyl ester, the triterpene ursolic acid and the steroids stigmasterol, campesterol, b-sitosterol and 3-O-b-glucopyranosyl sitosterol were isolated. The structures of the natural products were identified on the basis of spectral data, including 2D NMR experiments. The antiproliferative properties of the crude methanolic extract were investigated against a series of nine human cancer cell lines. (author)

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

International Nuclear Information System (INIS)

Recent experimental and theoretical studies of two-dimensional (2D) turbulence reveal that spectrally condensed turbulence which is a system of coupled large-scale coherent flow and broadband turbulence, is similar to plasma turbulence near the L-H transition threshold. Large condensate vortices fed via the turbulent inverse energy cascade, can control both the level of the broadband turbulence by shear decorrelation, and the energy injected into turbulence at the forcing scale via sweeping of the forcing-scale vortices. The interaction between these ingredients of spectrally condensed fluid turbulence is in many aspects similar to the interactions in the zonal flow-GAMs-turbulence system in plasma. In this paper we overview recent results on condensed 2D turbulence and present evidence of interaction between its three components: condensate structures, turbulence and forcing-scale ...

British Library Electronic Table of Contents (United Kingdom)

A mixture of long-chain hydrocarbons constituted by nonacosane (29C, 7.5%), hentriacontane (31C, 48.3%), and tritriacontane (33C, 30.1%), the ester 1?-acetyloxymethylpentacosa-20?-enyl 10-hydroxydecanoate (2), ?-amyrin (3), friedelin (4), and lupeol (5), and 3?-hydroxy-D:B-friedo-olean-5-ene (6) were identified as constituents of fruits of Maytenus salicifolia Reissek (Celastraceae). The structural formula and the stereochemistry of compound 6 were established by the data obtained through 1H and 13C NMR spectroscopy, including DEPT-135 and 2D (HMQC, HMBC, and NOESY) experiments. By analysis of the spectral data, it was possible to correct seven chemical shift assignments of compound 6, which were erroneous attributed and published in the scientific literature.

DEFF Research Database (Denmark)

In this work, we address the problem of road interpretation for driver assistance based on an early cognitive vision system. The structure of a road and the relevant traf?c are interpreted in terms of ego-motion estimation of the car, independently moving objects on the road, lane markers and large scale maps of the road. We make use of temporal and spatial disambiguation mechanisms to increase the reliability of visually extracted 2D and 3D information. This information is then used to interpret the layout of the road by using lane markers that are detected via Bayesian reasoning. We also estimate the ego-motion of the car which is used to create large scale maps of the road and also to detect independently moving objects. Sample results for the presented algorithms are shown on a stereo image sequence, that has been collected from a structured road.

Energy Technology Data Exchange (ETDEWEB)

Radial sonic crystals (RSC) are fluidlike structures infinitely periodic along the radial direction that verify the Bloch theorem and are possible only if certain specially designed acoustic metamaterials with mass density anisotropy can be engineered (see Torrent and Sanchez-Dehesa 2009 Phys. Rev. Lett. 103 064301). A comprehensive analysis of two-dimensional (2D) RSC shells is reported here. A given shell is in fact a circular slab with a central cavity. These finite crystal structures contain Fabry-Perot-like resonances and modes strongly localized at the central cavity. Semi-analytical expressions are developed to obtain the quality factors of the different resonances, their symmetry features and their excitation properties. The results reported here are completely general and can be extended to equivalent 3D spherical shells and to their photonic counterparts.

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)

We present a fully automated method for three-dimensional (3D) elemental analysis demonstrated using a ceramic sample of chemistry (Ca)MgTiO_x. The specimen is serially sectioned by a focused ion beam (FIB) microscope, and energy-dispersive X-ray spectrometry (EDXS) is used for elemental analysis of each cross-section created. A 3D elemental model is reconstructed from the stack of two-dimensional (2D) data. This work concentrates on issues arising from process automation, the large sample volume of approximately 17x17x10 #mu#m"3, and the insulating nature of the specimen. A new routine for post-acquisition data correction of different drift effects is demonstrated. Furthermore, it is shown that EDXS data may be erroneous for specimens containing voids, and that back-scattered electron images have to be used to correct for these errors.

International Nuclear Information System (INIS)

Using the slow electrons spectrometer one can get information on the surface structure, its element composition, chemical bonds, adsorption phenomena, electron state density and surface oscillation. We have developed the methods and created the apparatus that makes it possible to investigate the electron backscattering by solid surface. We have studied the electron scattering by the polycrystalline and monocrystalline. GaAs surface in the energy range of 0 to 9 eV. The FWHM of electron energy distribution function was 70 meV. (author).

International Nuclear Information System (INIS)

Short communication.

International Nuclear Information System (INIS)

A theoretical study of structural and electronic properties of GeC, SnC and GeSn is presented using the full potential linearized augmented plane wave method. In this approach, the generalized gradient approximation was used for the exchange-correlation potential. Results are given for lattice constant, bulk modulus and its pressure derivative in both zinc-blende and rocksalt structures. Band structure, density of states and band gap pressure coefficients in zinc-blende structure are also given. The results are compared with previous calculations and with experimental measurements.

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.).

British Library Electronic Table of Contents (United Kingdom)

The structure of the O-antigen polysaccharide (PS) from Escherichia coli O177 has been determined. Component analysis together with 1H and 13C NMR spectroscopy experiments was used to determine the structure. Inter-residue correlations were determined by 1H,13C-heteronuclear multiple-bond correlation and 1H,1H-NOESY experiments. PS is composed of tetrasaccharide repeating units with the following structure: 2)-a-l-Rhap-(13)-a-l-FucpNAc-(13)-a-l-FucpNAc-(13)-b-d-GlcpNAc-(1 An a-l-Rhap residue is suggested to be present at the terminal part of the polysaccharide, which on average is composed of 20 repeating units, since the 1H and 13C chemical shifts of an a-linked rhamnopyranosyl group could be assigned by a combination of 2D NMR spectra. Consequently, the biological repeating unit has a 3-...

Energy Technology Data Exchange (ETDEWEB)

The electron momentum density is measured applying positron annihilation and Compton spectroscopy in order to get information about electron wave functions. Compton spectroscopic measurements of Pd-Ag and Cu-Zn alloy systems are carried out taking into account crystal structure, mixability, and order state. Three-dimensional momentum densities of silicon are determined in order to get better information about its electronic structure. The momentum density and the spin density of ferromagnetic nickel are investigated using angular correlation curves.

Energy Technology Data Exchange (ETDEWEB)

We provide two examples to illustrate how electronic structure calculations contribute to our understanding of vacancies and their role in determining material properties. Diffusion and elctromigration in aluminium are known to depend strongly on vacancies. Electronic structure calculations show that the vacancy-impurity interaction oscillates with distance, and this leads to an explanation for both the increased elctromigration resistance and the slow impurity diffusion for copper in aluminium. Calculations of vacancies in plutonium have been used in conjunction with positron annihilation lifetime measurements to identify the presence of helium-filled vacanies. Helium stabilization of vacancies can provide the precursors for subsequent vacancy-related changes in materials properties.

International Nuclear Information System (INIS)

The structural and electronic properties of the A-15 compounds Nb_3Rh and Nb_3Ir 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_3Nb 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_3B-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_3Rh and Nb_3Nb, which confirms that this latter is a low-temperature superconductor with T_c - 10K.

Energy Technology Data Exchange (ETDEWEB)

There is no abstract currently available for this item

CERN Document Server

To investigate the origin and nature of inertia, we introduce a new concept of hypothetical 2D, so-called, "master-space" (MS), subject to certain rules. The MS, embedded in the background 4D-spacetime, is an indispensable individual companion to the particle of interest, without relation to every other particle. We argue that a deformation/(distortion of local internal properties) of MS is the origin of inertia. With this perspective in sight, we construct the alternative relativistic theory of inertia (RTI), which allows to compute the relativistic inertial force acting on an arbitrary point-like observer due to its "absolute acceleration". We go beyond the hypothesis of locality with an emphasis on distortion of MS, which allows to improve essentially the standard metric and other relevant geometrical structures related to the noninertial reference frame of an arbitrary accelerated observer. We compute the inertial force ...

International Nuclear Information System (INIS)

The values of spins, parities, and spectroscopic factors for neutron transfer have been determined for many low-lying states in "9"7Mo and "1"0"1Mo by a study of the (t, d) and (d, p) reactions on the neighbouring even-mass isotopes. Eighteen new values of J"#pi# have been obtained for these nuclei. Values of the fullness and emptiness parameters V"2 and U"2 have been suggested for the 3s_1_/_2 and 2d_5_/_s orbitals in "1"0"0Mo. (Nuclear structure "9"7Mo, "1"0"1Mo, measured J, #pi#, and spectroscopic factors for states up to #approx#2.0 MeV using (d, p) and (t, d) reactions.) (author).

British Library Electronic Table of Contents (United Kingdom)

The ground state of a three-dimensional (3D) rotating trapped superfluid Fermi gas in the BCS-BEC crossover is mapped to finite N v -body vortex states by a simple ansatz. The total vortex energy is measured from the ground-state energy of the system in the absence of the vortices. The vortex state is stable since the vortex potential and rotation energies are attractive while the vortex kinetic energy and interaction between vortices are repulsive. By combining the analytical and numerical works for the minimal vortex energy, the 2D configurations of N v vortices are studied by taking into account of the finite size effects both on xy-plane and on z-direction. The calculated vortex numbers as a function of the interaction strength are appropriate to the renew experimental results by Zwier...

International Nuclear Information System (INIS)

X-ray diffraction enhanced imaging (DEI) is one of X-ray phase-contrast imaging methods, which is applied to inspect internal structures of weakly absorbing low-Z samples. The key problem of the DEI is how to extract phase information which is expressed by refraction-angle images from a series of DEI images measured in different positions of the rocking curve of the analyzer. Three effective extraction methods are presented in this paper: the statistical geometric-optics-approximation method, the maximum refraction-angle method and the Gaussian curve fitting method. They are compared with the existing methods, such as the D. Chapman's geometric optics approximation method and the multiple-images statistical method. A 2D computer simulation experiment is performed to draw comparisons of these methods. The experimental results prove that the above three methods have more precision of refraction-angle values than existing ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Characteristics of batch rotor-stator mixer performance are elucidated by shaft torque and angle resolved 2D PIV measurements obtained in a full-scale, custom build, bottom-mounted, rotor-stator mixer unit operating in the turbulent regime with water as working fluid. Measurements have been acquired at various rotor speeds corresponding to impeller based Reynolds numbers between 2.0--105 and 8.5--105. The use of a transparent Plexiglas stator facilitated PIV measurements inside and outside the stator as well as into the stator slots themselves. The governing mechanisms controlling the complex flow structures, flow rates, power dissipation, velocity fields, strain rate fields and turbulence intensity fields are explained, highlighting the influence on rotor-stator mixer performance...

International Nuclear Information System (INIS)

Conditions for the construction of polynomial eigen-operators for the Hamiltonian of collective string field theories are explored. Such eigen-operators arise for only one monomial potential v(x)=#mu#x"2 in the collective field theory. They form a w_#infinity#-algebra isomorphic to the algebra of vertex operators in 2d gravity. Polynomial potentials of orders only strictly larger or smaller than 2 have no non-zero-energy polynomial eigen-operators. This analysis leads us to consider a particular potential #nu#(x)=#mu#x"2+g/x"2. A Lie algebra of polynomial eigen-operators is then constructed for this potential. It is a symmetric 2-index Lie algebra, also represented as a subalgebra of U(sl(2)). (orig.).

International Nuclear Information System (INIS)

In a free electron laser (FEL), the electron bunch energy profile at the undulator entrance can have temporal structures. In this paper, we derive analytical expressions for the FEL in the undulator, in the case of the electron bunch having both energy chirp and energy curvature. The FEL properties are studied analytically by convoluting a Gaussian seed laser with the FEL Green's function obtained by solving the coupled Vlasov-Maxwell equations. In particular, for different ratios of the temporal duration of the seed laser and that of the Green's function, interesting behavior is revealed.

Energy Technology Data Exchange (ETDEWEB)

During the past 3 years, progress was made in elucidating the excited state structures of Pt(diimine)(dithiolate) complexes, while more recent efforts focused on the photochemistry of these complexes and electronic structure of other dithiolate systems. A carbonyl-Ir-maleonitrile dithiolate complex is also studied.

Energy Technology Data Exchange (ETDEWEB)

Work continued on the correlations of catalytic activity of metals and surface structure. Work is described in the following areas: CO oxidation on a Cu/Rh(100) Bimetallic catalysts; electronic properties of bimetallic surfaces; and reflection absorption spectroscopy of bimetallic surfaces. 5 figs. (CBS)

International Nuclear Information System (INIS)

The methods of optical and transmission electron microscopy were used to study the influence of different programmes of hot deformation on the structure formation of (#alpha#+#beta#) titanium alloy VT9. The #beta# alloy VT-15 was studied at the same time in order to simulate the dislocation structure generated in the process of hot deformation. During the hot deformation of two-phase titanium alloys in both #beta# and (#alpha#+#beta#) ranges there is found to be an optimum range of deformation in which a homogeneous, polygonized structure is formed.

Energy Technology Data Exchange (ETDEWEB)

In order to employ molecular dynamics (MD) methods, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations using MD methods has been performed to obtain the equilibrium crystalline beam structure. The effect of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time dependent. The ground state is a zero entropy state, despite the ...

International Nuclear Information System (INIS)

The structural instability in high temperature A-15 superconductors is examined from a phenomenological, Landau theoretic point of view, based on the picture of an electronically driven lattice instability. emphasis is given to lattice properties--in particular, the extended softening of phonons in k-pace and phonon linewidth. Implications of the extended softening on the microscopic picture of the transition, and the interplay between structural and superconducting instabilities in the A-15 compounds are discussed.

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)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

Science.gov (United States)

Electron charge distributions are presented for Nb3Ge, Nb3Al, and two 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 EF 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 Nb3Ge is also investigated.

Science.gov (United States)

A method is described to smear extremely thin layers of nuclear emulsion on labeled electron microscope preparations and to measure the thicknesses of these layers, Without further separation, preparation and emulsion can be observed after exposure and development in an electron microscope. The source of the tracks formed in the emulsion can be exactly identified and the size and structure determined. This method finds applications in dust research and also in the analysis of medical and biological sections. Further information can be obtained about properties of different emulsions. (auth)

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)

An axisymmetric plasma screw pinch is an axisymmetric column of ionized gaseous plasma radially confined by forces from axial and azimuthal currents driven in the plasma and its surroundings. This dissertation is a contribution to detailed, high resolution computer simulation of dynamic plasma screw pinches in 2-d {ital rz}-coordinates. The simulation algorithm combines electron fluid and particle-in-cell (PIC) ion models to represent the plasma in a hybrid fashion. The plasma is assumed to be quasineutral; along with the Darwin approximation to the Maxwell equations, this implies application of Ampere`s law without displacement current. Electron inertia is assumed negligible so that advective terms in the electron momentum equation are ignored. Electrons and ions have separate scalar temperatures, and a scalar plasma electrical resistivity is assumed. ...

Energy Technology Data Exchange (ETDEWEB)

The preparation, crystal structure, and the electrical properties of the compound (ET)/sub 3/Ag/sub x/I/sub 8/ where x = approx. 6.4 and ET is bis(ethylenedithio)tetrathiafulvalene, C/sub 10/S/sub 8/H/sub 8/, are described. The compound possesses a truly two-dimensional polymeric anion, one which combines the structural features of both an organic electronic conductor and an inorganic solid electrolyte. The crystal structure consists of alternating anion and cation donor layers. The compound exhibits high electronic conductivity dominated by the electronic contribution, at least near room temperature.

Science.gov (United States)

tial/angular spreading of incident photons from a point source caused by the instrument (de- .... Filter. CDTP0001= 'DATA. ' / Type of calibration. CCNM0001= '2D_PSF ' ... the final resolution of sigma=0.5 arcmin in all energy bands. ...

UK PubMed Central (United Kingdom)

Purpose:To investigate the clinical usage of dose verification of Helical Tomotherapy plans by using 2D-array ion chambers, and to develop an efficient way to validate the dose delivered...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

We describe a class of organic molecular magnets based on zwitterionic molecules (betaine derivatives) possessing donor, p bridge, and acceptor groups. Using extensive electronic structure calculations we show the electronic ground-state in these systems is magnetic. In addition, we show that the large energy differences computed for the various magnetic states indicate a high Neel temperature. The quantum mechanical nature of the magnetic properties originates from the conjugated p bridge (only p electrons) in cooperation with the molecular donor-acceptor character. The exchange interactions between electron spin are strong, local, and independent on the length of the p bridge.

International Nuclear Information System (INIS)

The /sup 40/Ca(p,n)/sup 40/Sc reaction was studied at 134 MeV. Neutron energy spectra were measured by the time-of-flight technique with resolutions of 220 keV at angles from 0"0 to 41"0 and 415 keV out to 62"0. The 2"-,3"-,4"-,5"- band of states based on the (f/sub 7/2/,d/sub 3/2//sup -1/) 1p1h structure was observed at low excitation energies, in good agreement with known analog states in /sup 40/Ca and /sup 40/K. The shapes of the cross-section and analyzing-power angular distributions are in good agreement with distorted-wave impulse-approximation calculations using simple 1p1h (Tamm-Dancoff approximation) shell-model wave functions. A relatively strong transition to a state at E/sub x/ = 2.3 MeV with L = 3 is identified tentatively as a 4"- state with the predominant 1p1h structure (1f/sub 7/2/,2s/sub 1/2//sup -1/).

International Nuclear Information System (INIS)

Inner ring structures are observed in about one quarter of all lenticular or spiral galaxies. Statistics of the relative frequencies of the pure ring (r) and broken ring (rs) varieties in the Second Reference Catalogue (RC2) among the different families (A, AB, B) of lenticular (L) and spiral (S) galaxies at different stages (T) along the revised Hubble sequence are presented; selection effects dependent on classification weight, apparent diameter and axis ratio are discussed. Comparisons of ring diameters D/sub r/ listed in the (First) Reference Catalogue (RC1) with independent measurements of 43 barred systems by Kormendy show good systematic agreement with a standard deviation sigma_1_2(D/sub r/) = 0'.10 and individual relative mean errors sigma(D/sub r/)/ < D/sub r/ > approx. = 5%. Axis ratios are also in good agreement with sigma_1_2(b/a) = 0.06. Comparisons of axis ratios of rings and parent galaxies show ...

British Library Electronic Table of Contents (United Kingdom)

Abstract We present the first numerical,-N-body, hydrodynamical, chemical simulations of cosmic structure formation in the framework of non-Gaussian models. We study the impact of primordial non-Gaussianities on early chemistry (e-, H, H+, H-, He, He+, He++, H2, H+2, D, D+, HD, HeH+), molecular and atomic gas cooling, star formation, metal (C, O, Si, Fe, Mg, S) enrichment, Population-III (popIII) and Population-II-I (popII) transition and on the evolution of -visible- objects. We find that non-Gaussianities can have some consequences on baryonic structure formation at very early epochs, but the subsequent evolution at later times washes out any difference among the various models. When assuming reasonable values for primordial non-Gaussian perturbations, it turns out that they are responsi...

Energy Technology Data Exchange (ETDEWEB)

Self-consistent electronic structure calculations have been performed on two compositions of scandium sulfide ScS and Sc/sub 3/S/sub 4/. The results of the calculation of ScS are similar to those obtained for other transition metal chalcogenides and are in excellent agreement with heat capacity and reflectance measurements as well as UPS experiments. The calculation of the defect structure indicates the creation of sulfur p nonbonding states in metal-deficient ScS. The valency of the metal ions remains unchanged upon the creation of vacancies.

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of octahedral metal atom clusters Me/sub 6/ of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

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 ...

CERN Document Server

The Sunyaev-Zeldovich (SZ) effect gives a measure of the thermal energy and electron pressure in groups and clusters of galaxies. In the near future SZ surveys will map hundreds of systems, shedding light on the pressure distribution in the systems. The thermal energy is related to the total mass of a system of galaxies, but it is only a projection that is observed through the SZ effect. A model for the 3D distribution of pressure is needed to link the SZ signal to the total mass of the system. In this work we construct an empirical model for the 2D and 3D SZ profile, and compare it to a set of realistic high resolution SPH simulations of galaxy clusters and groups, and to a stacked SZ profile for massive clusters derived from WMAP data. Furthermore, we combine observed temperature profiles with dark matter potentials to yield an additional constraint, under the assumption of hydrostatic equilibrium. We find a very tight ...

Energy Technology Data Exchange (ETDEWEB)

Recent progress in the metallic conducting Langmuir-Blodgett (LB) films built from TTF derivative and fatty acids is reported. A simple LB method of transferring the mixed Langmuir (L) film of BEDO-TTF (BO) and stearic acid (SA) onto substrates provided metallic conducting LB films. A homogeneous L film formation on the water surface observed by Brewster angle microscope (BAM) is an essential factor for the well-ordered LB films. In the L film, the carboxylate group of fatty acid forms anion layer bringing about a spontaneous formation of mixed valence state (MVS) of BO layer. Similar spontaneous formation was also found in the molecular combination of nonoxygen-substituted donor of EDT-TTF and octadecanesulfonic acid (OS). This type of reaction would be useful for obtaining conducting LB films. For the LB films of BEDO-TTF and stearic acid, we found a negative transverse magnetoresistance at low temperature that was interpreted in the weak localization of a two-dimensional ...

International Nuclear Information System (INIS)

In this work the diffusion of ion-beam-injected self-interstitials (Is) and their interaction with impurities in crystalline Si are presented. In particular, the I penetration into a molecular beam epitaxy grown Si structure was studied by means of diffusion effects induced on B spikes, analyzed by a developed simulation code. Trapping effects at sample-surface and bulk are evidenced and modeled. The B marker approach was extended to the two-dimensional (2D) I-diffusion occurring as a consequence of ion implantation through a sub-micron dimension patterned oxide mask. I-source size effects on the I penetration have been found and modeled, quantitatively describing the 2D I-diffusion. The I-substitutional carbon interactions have been also studied, showing the C ability to effectively retain Is. The I-trapping mechanism was quantitatively studied by the simulation code, showing that ...

Energy Technology Data Exchange (ETDEWEB)

Electronic structure calculations frequently invoke periodic boundary conditions to solve for electrostatic potentials. For systems that are electronically charged, or contain dipole (or higher) moments, this artifice introduces spurious potentials due to the interactions between the system and multipole moments of its periodic images in aperiodic directions. I describe a method to properly handle the multipole moments of the electron density in electronic structure calculations using periodic boundary conditions. The density for which an electrostatic potential is to be evaluated is divided into two pieces. A local density is constructed that matches the desired moments of the full density, and its potential computed treating this density as isolated. With the density of this local moment countercharge removed from the full density, the remainder density lacks ...

Wastenet

... 300715+Ceramic+Engineering+and+Science+Proceedings 2122%28Series+Code%29+Ceramic+Engineering+and+Science+Proceedings Wiley::Ceramic Engineering and Science Proceedings WILEY KNOWLEDGE FOR ...CART | MY ACCOUNT | CONTACT US | HELP Home / Engineering & Materials Science / Materials Science / Ceramic Engineering and Science Proceedings Related Subjects Soft Matter Organic Electronics Structural ...Materials, Ceramics Structural Materials, Composites Structural Materials or Construction Materials Corrosion Electronics Materials Related Series Ceramic Transactions Series Wiley Series in Materials for ...Electronic and Optoelectric Applications Ceramic Engineering and Science Proceedings (CESP) contain proceedings from three American Ceramic Society (ACerS) meetings: ...

Energy Technology Data Exchange (ETDEWEB)

The advent of carbon nanotubes, which are graphite layers convoluted in cylinders several nanometers in diameter and several micrometers in length, as well as the experiments on implanting metal atoms in such tubes open the way to producing nanoconductors and other materials with unique properties. For theorists, the basic challenge is interpreting and predicting the structure and properties of these systems. The linearized augmented-plane-wave method (LAPW) is one of the most accurate methods in the theory of the electronic structure of solids. A generalization of this method for quasi-two-dimensional systems, surface electronic states, and layered crystals is known. The LAPW theory for quasi-unidimensional systems, which exhibit translational symmetry in one direction, has been absent thus far. In this paper, the authors suggest a version of such a theory and use this method to calculate the ...

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).

International Nuclear Information System (INIS)

The electronic structures of BaSnO_3, BaSbO_3, and BaPbO_3, calculated using an extended general-potential linearized augmented-plane-wave method, are reported. The electronic structures of BaSnO_3 and its 6s analog BaPbO_3 are found to be very different, explaining the absence of superconductivity in the Ba(Sn,Sb)O_3 system. These differences are explained by a combination of the relativistic lowering of the 6s states and ion-size effects. Muffin-tin-approximation augmented-plane-wave calculations for BaSnO_3 are also reported and the utility of the muffin-tin approximation for this and similar materials is discussed in terms of the differences between the two sets of calculations.

Energy Technology Data Exchange (ETDEWEB)

To measure electron reactions on a picosecond timescale the investigators developed a picosecond pulse-conductivity technique, which makes use of the electron fine-structure pulses of our LINAC (pulse width 25 vs FWHM) to produce excess electrons and now detects changes in sample conductance under optimum conditions with an instrumental response of 18 ps. This resolution is in agreement with a theoretical estimate. This technique has been successfully applied to study excess electron reactions in solvents covering a mobility range from 0.24 to 100 cm/sup 2/V/sup -1/s/sup -1/; extension to lower mobility liquids seem possible.

International Nuclear Information System (INIS)

Upon irradiation of aqueous ethylene glycol/water solutions of native chloroperoxidase (CPO) with "6"0Co-gamma rays at 77K one observes the one-electron reduction of the enzyme active site by radiolytically generated thermolyzed electrons. In the present study the first absorption spectrum of a low-spin ferrous form of CPO is reported which has peaks at 438, 532 and 563 nm, similar to those observed previously for cytochrome P-450. All previously described ferrous forms of CPO are high spin. In order to observe the final results of the CPO reaction with electrons, the spectral changes of native enzyme after room temperature-gamma-irradiation have also been investigated. Evidence of changes is also presented probably connected with disruption of the tertiary structure of enzyme, correlated with decrease of enzyme activity.

International Nuclear Information System (INIS)

The electronic structures of URh_3, UPd_3, UPt_3 and UAu_3 are calculated with the self-interaction-corrected local-spin-density approximation. We find that only in URh_3 the f-electrons are fully delocalized. UPt_3 has one f-electron localized at each U site, whilst a localized f"2 configuration of the U-ion is found for UPd_3. It is predicted that upon application of pressure, UPd_3 will acquire the f"1 configuration and possibly exhibit heavy-fermion behaviour. We find that UAu_3 is characterized by the same mixed localized-delocalized f-electron manifold as UPd_3. (author)

Energy Technology Data Exchange (ETDEWEB)

The research supported by this Department of Energy contract has primarily been devoted to the study of the electronic properties of surfaces with sub-micron size. In previous years, we have studied the photoexcitation of electrons from field emission tips by a focussed Argon-ion laser beam tuned to operate at specific photon energy. The photoexcited electrons escape into the vacuum by tunneling through a surface potential barrier which is distorted by the application of a strong electric field. The interest in these experiments lies in a better understanding of the photoexcitation process at low photon energies. The techniques that have been developed directly measure the excited state energy distribution of electrons emitted through the surface potential barrier. The basic information gained from this research is relevant to opto-electronic devices which rely on photoexcitation of ...

International Nuclear Information System (INIS)

We have applied photofragment ion imaging to investigate the dissociation dynamics of low-lying, doubly excited states of molecular hydrogen. A doubly excited electronic state is one in which both of the hydrogen electrons reside in excited molecular orbitals. Two-step, two-color multiphoton excitation of H_2, first via 201.8 nm, two-photon excitation into the E, F "1#SIGMA#"+_g(v_E=0, J=1) state, followed by #approx#563 nm, 1+m (m=1, 2) excitation through the B double-prime "1#SIGMA#"+_u(v=0, J=0, 2), D "1#PI#_u(v=2, J=1, 2), and B' "1#SIGMA#"+_u(v=4, J=0, 2) states provides a ready means of populating several low-lying doubly excited states of H_2 at increasing internuclear separations. From these doubly excited repulsive states, both dissociation and autoionization processes are possible. Because the excitation energy remains relatively constant as each intermediate state is accessed, differences in ...

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. ...

International Nuclear Information System (INIS)

In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent ...

Energy Technology Data Exchange (ETDEWEB)

The electronic structures of platinum group elements (Ru, Os, Rh, Ir, Pd, and Pt) silicides have been calculated. Ir{sub 3}Si{sub 5} is a semiconductor with the direct gap of 1.14 eV. Among monosilicides, RuSi and OsSi with the FeSi-type structure are semiconductors with the gap values of 0.21 and 0.41 eV but RhSi, IrSi, PdSi, and PtSi with the MnP-type structure are metals. No semiconducting compounds can be found in other platinum group elements silicides other than known Ru{sub 2}Si{sub 3}, Os{sub 2}Si{sub 3}, and OsSi{sub 2}.

International Nuclear Information System (INIS)

We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.

Energy Technology Data Exchange (ETDEWEB)

The authors examine the relationship of the structure and mechanical properties of similar alloys of tungsten with rhenium produced by the powder metallurgy method by sintering powders. Since the alloys were deformed by rolling, we examine the effect of the resultant anisotropy of the structure on the properties of the metal in various directions. The tests were conducted on an alloy of tungsten with 2 wt.% rhenium and, for comparison purposes, an alloy of tungsten with additions of oxides of yttrium and hafnium. The mechanical properties of the alloys, i.e., strength, cracking resistance, cold shortness temperature, were determined in the bend test. Structural examination was carried out using an optical microscope, electron scanning microscopy, and the method of transmission electron microscopy.

UK PubMed Central (United Kingdom)

Microstructure of the teeth of the sea urchin Lytechinus variegatus was investigated using optical microscopy, SEM (scanning electron microscopy) and SIMS (secondary ion mass...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Various energy sources and motors of divers types can be used in electric cars with operating modes subjected to a number of particular constraints. As a result, the possible structures of the converters, that are analysed in detail, are about a dozen in number. Also considered is the use of solid-state components - thyristors, power transistors and new components.

UK PubMed Central (United Kingdom)

To confirm that Mycobacterium tuberculosis chaperonin 10 (Cpn10) is secreted outside the live bacillus, infected macrophages were examined by electron microscopy. This revealed that...Full Text Available

UK PubMed Central (United Kingdom)

Fear learning is associated with changes in synapse strength in the lateral amygdala (LA). To examine changes in LA dendritic spine structure with learning, we used serial electron microscopy to re-construct...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

On the basis of the phenomenological model for baryon resonance production in lepton nucleon and lepton nucleus scattering we investigate to what extent quark hadron duality is applicable to the neutrino structure functions and how it compares with duality in electron scattering.

Energy Technology Data Exchange (ETDEWEB)

When one deals with a plasma column whose radius a is much smaller than its length L, one can think of it as of a thin filament whose kink instability can be adequately described simply by a 2D displacement vector, {xi}{sub x} = {xi}{sub s}(z,t); {xi}{sub y} = {xi}{sub y}(z,t). Details of the internal structure of the column such as the current, density, and axial flow velocity distribution would be lumped into some phenomenological parameters. This approach is particularly efficient in the problems with non-ideal (sheath) boundary conditions (BC) at the end electrodes, with the finite plasma resistivity, and with a substantial axial flow. With the sheath BC imposed at one of the end-plates, we find instability in the domain well below the classical Kruskal-Shafranov limit. The presence of an axial flow causes the onset of rotation of the kink and strong axial ''skewness'' of the ...

Energy Technology Data Exchange (ETDEWEB)

In order to improve the long term reliability of lead-salt diode lasers, ohmic contacts of multilayer, thin-film structures consisting of In plus Au, Pt, Ni, and Pd have been studied. Diode lasers of PbSnTe fabricated with a variety of contacts were tested during room-temperature storage and during accelerated aging tests. The results show that contact reliablility can be improved when multiple overlapping films are used. After 4500 h of baking at 60 /sup 0/C, lasers with In-Au-Pd-Au contacts on both sides showed the least resistance increase (10%). For lasers with In-Au-Pt-Au contacts, 1 h of baking at 60 /sup 0/C is equivalent to 2 d storage at room temperature. Extrapolating these results, a 70% increase in contact resistance is expected for this type of laser after 9000 d of storage at room temperture. Our data also suggests that a smaller increase in contact resistance can be expected for lasers fabricated with ...

International Nuclear Information System (INIS)

The analytical treatment of the nonperturbative QCD dynamics is one of the main open questions of the strong interactions. Currently, it is only possible to get some qualitative information about this regime considering other QCD-like theories, as, for example, the N=4 super Yang-Mills theory, where one can perform calculations in the nonperturbative limit of large 't Hooft coupling using the anti-de Sitter space/conformal field theory (AdS/CFT). Recently, the high energy scattering amplitude was calculated in the AdS/CFT approach, applied to deep-inelastic scattering and confronted with the F_2 HERA data. In this work we extend the nonperturbative AdS/CFT inspired model for diffractive processes and compare its predictions with a perturbative approach based on the Balitsky-Kovchegov equation. We demonstrate that the AdS/CFT inspired model is not able to describe the current F_2"D"("3") HERA data and predicts a similar behavior to that from the ...

Energy Technology Data Exchange (ETDEWEB)

The performance of conjugate gradient schemes for minimizing unconstrained energy functionals in the context of electronic structure calculations is studied. The unconstrained functionals allow a straightforward application of conjugate gradients by removing the explicit orthonormality constraints on the quantum-mechanical wave functions. However, the removal of the constraints can lead to slow convergence, in particular when preconditioning is used. The convergence properties of two previously suggested energy functionals are analyzed, and a new functional is proposed, which unifies some of the advantages of the other functionals. A numerical example confirms the analysis.

International Nuclear Information System (INIS)

This report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included. Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties. Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states. 207 refs., 39 figs., 38 tabs.

International Nuclear Information System (INIS)

Free Electron Laser (FEL) with wide wavelength tunability has been developed and used for various applications. We report the structural-changes in P-ion-implanted diamond when we can achieve resonant excitation of the vibrations of specific bonds in the lattice of target (P-C) by using FEL. The change of property was analyzed by SIMS and Raman spectroscopy. After 5.8 #mu#m-FEL irradiation, we observed the crystallization of amorphous structure which was induced by P-ion-implantation. These results indicated the FEL annealing of diamond at room temperature. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the clusters (V/sub 3/Si/sub 4/)/sup 12 -/, (Nb/sub 3/Sn/sub 4/)/sup 12 -/(Mo/sub 3/Ge/sub 4/)/sup 15 -/ in crystalline V/sub 3/Si, Nb/sub 3/Sn, Mo/sub 3/Ge compounds is calculated by the Extended Hueckel method. The influence of different types of radiation induced defects on the density of states at the Fermi level (the anti-site defects, the displacement of atoms in linear chains, the vacancy-interstitial type defects) is considered.

Energy Technology Data Exchange (ETDEWEB)

Evaluation of grain boundary composition and structure in superplastically deformed AA5083-based alloys (Al-4.5Mg-1.6Mn-0.2Zr) was carried out in a field-emission gun transmission electron microscope (FEG-TEM). During superplastic deformation at high homologous temperatures materials undergo extensive grain boundary sliding (GBS) which creates a flow of defects in the near-boundary region. Recent literature has shown that the grain-boundary composition in Al-Mg alloys is not necessarily the same as the matrix, and that these differences can have an effect on GBS.

International Nuclear Information System (INIS)

Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

UK PubMed Central (United Kingdom)

After slow progress in the efforts to develop phase plates for electron microscopes, functional phase plate using thin carbon film has been reported recently. It permits collecting high-contrast images...Full Text Available

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interaction to the magnetic structure in USb2 compound. The result shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons.

Energy Technology Data Exchange (ETDEWEB)

Various methods have been proposed to condition an electron beam in order to reduce its emittance effect and to improve the short-wavelength free electron laser (FEL) performance. In this paper, we show that beam conditioning does not result in a complete elimination of the emittance effect in an alternating-gradient focusing FEL undulator. Using a one-dimensional model and a three-dimensional simulation code, we derive a criteria for the emittance limitation of a perfectly conditioned beam that depends on the focusing structure.

Energy Technology Data Exchange (ETDEWEB)

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

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)

The aim of this paper was to describe ability to intercalation of laboratory prepared carbon composites and their constituents. In work the following materials were tested; pinch-based fibres of P-120 and K-1100 manufacturer's designations, carbon matrix and resulting composites. To prepare a matrix of composites, phenol-formaldehyde resin (Z) and pinch-based precursor (PAK) were used. After initial carbonization, the carbon matrix was heated to 2150 "oC i to improve ability to the future intercalation. Three kinds of composites (P/Z, K/Z and K/PAK), with two directional reinforcement (2D), were prepared. All carbon samples were intercalated with copper chloride(II). To study the structure of all materials, before and after intercalation, X-ray diffraction method was used. It enabled to measure microstructure parameters (L_c and L_a), interplanar distance (d_0_0_2) thickness of an intercalation layer (d_i). Before ...

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for two intermetallic compounds of dysprosium, i.e, DyZn and DyRh, following the self-consistent augmented-plane-wave (APW) method. The convergence of energy was found to be rapid for DyZn because the shell of 3d"1"0 electrons for Zn lies below the conduction band. The Fermi energies (E/sub F/) have been calculated to be 0.421 and 0.477 Ry for DyZn and DyRh, respectively. The densities and the numbers of conduction electrons inside and outside the APW spheres in each of these compounds are calculated, and it is shown that the character of conduction electrons inside the APW sphere of Dy is predominantly of d type. In order to see the accuracy of these results, self-consistent calculations were done for DyZn for different choices of the exchange potentials, and the calculated number of conduction electrons ...

Energy Technology Data Exchange (ETDEWEB)

A small, permanent-magnet insert structure for the removal of electrons from pulsed, extracted, negative ion beams has been developed at Lawrence Berkeley National Laboratory. The device was computer modeled and designed for an extraction field strength of 3 kV/mm. The testing was carried out with a rf driven multicusp ion source optimized for the production of H{sup {minus}} ions and pulsed at a few Hz with pulse widths of several hundreds of {mu}s. It is demonstrated that the insert structure together with a collar can remove over 98{percent} of electrons from the extracted H{sup {minus}} ion beam without any significant deterioration of the H{sup {minus}} ion output. Application to other negative ion beams can be expected from this magnetic collar insert. {copyright} {ital 1996 American Institute of Physics.}

International Nuclear Information System (INIS)

Heusler films with L2_1 and B2 structure are deposited simultaneously on amorphous carbon films, Si(100) surfaces, and in situ cleaved InAs(110) surfaces by coevaporation of Ni and the alloy MnIn. Morphology, structure, and stoichiometry are investigated with transmission-electron microscopy, electron diffraction, and X-ray spectroscopy. The almost perfect lattice match supports highly oriented growth of Ni_2MnIn on InAs, which is proven by electron diffraction under grazing incidence. The electrical resistivity of thin films on Si show metallic behavior. At temperatures of liquid helium point-contact Andreev reflection spectroscopy is performed on films grown on Si(100) and in situ cleaved InAs(110) surfaces yielding spin polarizations comparable to the ones of Fe, Ni, Co, and permalloy (Ni_8_0Fe_2_0).

International Nuclear Information System (INIS)

We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green's function for the electron-hole pair, the Bethe-Salpeter equation (BSE), within the all-electron full-potential linearized augmented plane wave method (FPLAPW). The excited states are calculated for the Li K-edge in the insulating solids LiF, Li_2O and Li_2S, and absorption spectra are compared with independent particle results using the random phase approximation (RPA), as well as supercell calculations using the core-hole approximation within density functional theory (DFT). The binding energies of strongly bound excitations are determined in the materials, and core-exciton wavefunctions are demonstrated for LiF.

Energy Technology Data Exchange (ETDEWEB)

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 Cr{sub 2}O{sub 3} and FeCr{sub 2}O{sub 4} below the flat band potential of nickel oxide and were NiFe{sub 2}O{sub 4} above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.

International Nuclear Information System (INIS)

Surface-sensitive UV photoelectron yield spectroscopy was employed to study electron acceptor levels at surfaces of chalcopyrite structure Cu-In-Se thin films. Surface Fermi level pinning was observed for Cu-rich films. Shallow acceptor levels ascribable to defects Cu_I_n and V_C_u were observed for near-stoichiometric and In-rich films respectively. (orig.).

Energy Technology Data Exchange (ETDEWEB)

During the past 3 years, progress was made in elucidating the excited state structures of Pt(diimine)(dithiolate) complexes, while more recent efforts focused on the photochemistry of these complexes and electronic structure of other dithiolate systems. A carbonyl-Ir-maleonitrile dithiolate complex is also studied.

International Nuclear Information System (INIS)

Results on defect structure study and degree of molybdenum radiation hardening irradiated by fission neutrons and medium energy alpha-particles are presented. It is shown that molybdenum irradiation by alpha-particles and neutrons leads to different degree of material hardening for the same damage level. It is established that molybdenum radiation hardening is mainly defined by radiation defect clusters visible in electron microscope whose coefficient of rigidity depends on their size. 5 refs.; 6 figs.; 2 tabs. (author).

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).

International Nuclear Information System (INIS)

The electronic band structure, transport properties, and lattice dynamics in AuX_2 (X = Al, Ga and In) under high pressure have been extensively studied with full potential linearized augmented plane wave and pseudopotential plane wave methods. The theoretical results for the electronic band structure and Fermi surface reveal pressure-induced electronic topological transitions (ETTs) in AuGa_2 and AuIn_2, while they are absent in AuAl_2, in excellent agreement with the experimental observations. Moreover, calculations of the transport properties at different pressures reveal subtle changes in the band structure close to the Fermi surface of the three intermetallic compounds. It is clear that the anomalies in transport properties are due to ETTs. Interestingly, a pressure-induced soft transverse acoustic (TA) phonon mode is identified only in AuGa_2. The TA ...

Energy Technology Data Exchange (ETDEWEB)

A Bragg waveguide consisting of multiple dielectric layers with alternating index of refraction becomes an excellent option to form electron accelerating structure powered by high power laser sources. It provides confinement of a synchronous speed-of-light mode with extremely low loss. However, laser field can not be coupled into the structure collinearly with the electron beam. There are three requirements in designing input coupler for a Bragg electron accelerator: side-coupling, selective mode excitation, and high coupling efficiency. We present a side coupling scheme using a distributed grating-assisted coupler to inject the laser power into the waveguide. Side coupling is achieved by a grating with a period on the order of an optical wavelength. The phase matching condition results in resonance coupling thus providing selective mode excitation capability. The coupling ...

Energy Technology Data Exchange (ETDEWEB)

Electronic properties of passive films formed on Fe at various applied potentials in pH 8.5 buffer solution were examined through the photocurrent measurement and impedance spectroscopy. Passive film formed on Fe at relatively low potentials was found to be r-FeOOH layer and internal r-Fe{sub 2}O{sub 3} layer. However, the r-FeOOH layer became unstable and disappeared at potentials below 400mV and hence may be an adsorbed layer. An electronic band structure model for the passive film of Fe was suggested on the basis of the spinel band model with involving two types of electronic excitation processes, i. e., the p-d and the d-d transition together. The effects of applied potential on the photocurrent behaviors of the passive film on Fe were explained appropriately by separating the photocurrent spectra depending on the transition type. The Mott-Schottky behavior for the passive film on Fe and the ...

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It has been discovered that the presence of MoO/sub 3/ lowers the ..cap alpha..-..beta.. transition in Sb/sub 2/O/sub 4/ from 935 to 850/sup 0/C with concurrent dissolution of Mo in the high-temperature (..beta..) form. The structure of Mo-doped ..beta..-Sb/sub 2/O/sub 4/ has been investigated by powder neutron diffraction, extended X-ray absorption fine structure (EXAFS) and Raman spectroscopies, and scanning-electron microscopy (SEM). Cell parameters: a = 12.0571 (12) A, b = 4.8335 (1) A, c = 5.3838 (6) A, ..beta.. = 105.579 (5)/sup 0/, monoclinic, space group C2/c, Z = 4. Combining the results of these techniques leads to the hypothesis that Mo is located interstitially within channels of electron density in the Sb/sub 2/O/sub 4/ structure with concurrent vacancy of two Sb/sup III/ atoms. There is no apparent oxygen deficiency in the resulting structure. 25 ...

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.

Energy Technology Data Exchange (ETDEWEB)

The authors report experimental results on a high gradient 17 GHz RF photocathode gun. The photocathode RF gun is a novel electron beam source intended to meet the requirements set by future high-energy linear colliders and next generation free electron lasers. A coupled pair of pillbox TM{sub 010}-like resonators is excited by sidewall coupled microwaves at 17 GHz. A picosecond ultraviolet laser pulse illuminates one wall of the structure at the axis of symmetry. Electrons are released by the photoelectric effect and are accelerated by the electric field of the microwaves in the cavity. The high frequency of operation raises the RF breakdown limit allowing strong electric fields to be used. In turn, the intense fields result in rapid acceleration of the electrons to relativistic speeds and reduced space charge induced emittance growth.

Science.gov (United States)

Subcommittee of the Joint Committee on Atomic Energy of the United States, Outer Space Propulsion by Nuclear Energy, hearings, 85th Cong., 2d sess., 22, ...

UK PubMed Central (United Kingdom)

The processes of neuronal outgrowth and guidance have typically been studied in classic 2D cell culture systems that do not recapitulate topographical cues present in the in vivo extracellular matrix...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

British Library Electronic Table of Contents (United Kingdom)

A 2-D model has been proposed to investigate the approximate estimation of the natural convection heat loss from modified cavity receiver of without insulation (WOI) and with insulation (WI) at the bottom of the aperture plane in our previous article. In this paper, a 3-D numerical model is presented to investigate the accurate estimation of natural convection heat loss from modified cavity receiver (WOI) of fuzzy focal solar dish concentrator. A comparison of 2-D and 3-D natural convection heat loss from a modified cavity receiver is carried out. A parametric study is carried out to develop separate Nusselt number correlations for 2-D and 3-D geometries of modified cavity receiver for estimation of convective heat loss from the receiver. The results show that the 2-D and 3-D are comparabl...

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.

Energy Technology Data Exchange (ETDEWEB)

Using the method of high resolution electron microscopy (HEM) the shape and structure of powder particles of elementary amorphous boron, prepared by plasmochemical reduction of boron trichloride by hydrogen before and after their heat treatment in vacuum of approximately 1 x 10 SPa at the temperature of approximately 800 deg C for 30 min, have been studied. It is established, that ultradispersed particles of amorphous boron present flat formations (discs) of stable configurations, composed of several icosahedrons (structural elements); their growth during heat treatment takes place first in habitus plane without far order formation, and then, after attaining the diameter of approximately 500 A, the process of three-dimensional crystallization starts, which leads to the formation of crystal lattice of boron US -rhombohedric modification.

Energy Technology Data Exchange (ETDEWEB)

Positron annihilation experiments on Fe-Cu model dilute alloys of nuclear reactor pressure vessel (RPV) steels have been performed after neutron irradiation in JMTR. Nanovoids whose inner surfaces were covered by Cu atoms were clearly observed. The nanovoids transformed to ultrafine Cu precipitates by dissociating their vacancies after annealing at around 400degC. The nanovoids and the ultrafine Cu precipitates are strongly suggested to be responsible for irradiation-induced embrittlement of RPV steels. Effects of Ni, Mn and P addition on the nanovoid and Cu precipitate formations were also studied. The nanovoid formation was enhanced by Ni and P, but suppressed by Mn. The Cu precipitates after annealing around 400degC were almost free from these doping elements and hence were pure Cu in the chemical composition. Furthermore the Fermi surface of the 'embedded' Cu precipitates with a body centered cubic crystal structure was obtained from two ...

Energy Technology Data Exchange (ETDEWEB)

I review recent developments in quark-hadron duality in inclusive electron-nucleon scattering. Matrix elements of twist-4 operators extracted from moments of the spin-dependent g1 structure function suggest that duality violating higher twists are small above Q2 {approx} 1 GeV2. The x dependence of local duality is analyzed within a quark model framework, and mechanisms are identified for spin-flavor symmetry breaking which underpin the behavior of structure functions at large x.

Energy Technology Data Exchange (ETDEWEB)

Mixed microstructures have been studied in low- carbon microalloyed steels suitable for automotive applications, after continuous cooling from the hot-rolled condition. Microstructural features such as polygonal ferrite, bainitic and acicular ferrite and microphase constituent are identified using transmission electron microscopy. The influence of these mixed structures on the tensile strength, impact toughness and fracture behaviour is examined. It is found that improvements in impact toughness as compared with microalloyed medium- carbon ferrite/pearlite steels can be achieved from these predominantly acicular structures developed by controlling alloy composition and continuous cooling of these lower carbon steels. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The influence of Cr on the structure and electrochemical properties of LiCoVO{sub 4} was studied using X-Ray diffraction, scanning electron microscopy, Raman Spectroscopy and cycle tests. Doping levels up to 10 mol% were achieved, which improved the electrochemical stability of the structure of LiCoVO{sub 4}, resulting in a significant increase in the initial charge and discharge capacity. The Raman spectroscopy data for the Cr-doped LiCoVO{sub 4} is similar as for LiCoVO{sub 4}. The replacement of a dopant for the Co-ion in the inverse spinel structure causes several Raman shifts. The X-ray diffraction patterns show no new phases and combined with the Raman spectroscopy data it is concluded that the Cr dopant will be located at the octahedral site (16d) where they create an electronic pathway that enhances the electronic conductivity. However, the capacity ...

Science.gov (United States)

The identification of crystallographic phases in the scanning electron microscope (SEM) has been limited by the lack of a simple way to obtain electron diffraction data of an unknown while observing the micro structure of the specimen. With the development of Charge Coupled Device (CCD) based detectors, backscattered electron Kikuchi patterns (BEKP), alternately referred to as electron backscattered diffraction patterns (EBSP), can be easily collected. Previously, BEKP has been limited to crystallographic orientation studies due to the poor pattern quality collected with video rate detector systems. With CCD detectors, a typical BEKP can now be acquired from a micron or sub-micron-sized crystal using an exposure time of 1-10 seconds with an accelerating voltage of 10-40 kV and a beam current as low as 0.1 nA. Crystallographic phase analysis using BEKP is unique in that the properly ...

International Nuclear Information System (INIS)

Fluorinated amorphous carbon (a-C:F) films were deposited by radio frequency bias assisted microwave plasma electron cyclotron resonance chemical vapor deposition with tetrafluoromethane (CF_4) and acetylene (C_2H_2) as precursors. The deposition process was performed at two flow ratios R=0.90 and R=0.97, where R=CF_4/(CF_4+C_2H_2). The samples were annealed at 300 deg. C for 30 min. in a N_2 atmosphere. Both Fourier transform infrared and electron spectroscopy for chemical analyzer were used to characterize the a-C:F film chemical bond and fluorine concentration, respectively. A high resolution electron energy loss spectrometer was applied to detect the electronic structure. The higher CF_4 flow ratio (R=0.97) produced more sp"3 linear structure, and it made the a-C:F film smoother and softer. A lifetime of around 0.34 #mu#s and an energy gap of #approx#2.75 eV ...

Energy Technology Data Exchange (ETDEWEB)

The atomic structure of [001] tilt grain boundaries of {Sigma}5 (210), {Sigma}5 (310), {Sigma}13 (320) and {Sigma}17 (410) in TiO{sub 2}(rutile) were studied using high resolution electron microscopy and computer simulation. Regularly separated small steps (1/2 [120] high) and big steps (3/2 [120] high) which contain secondary dislocations were found in the (210) boundary as a result of deviation from the exact {Sigma}5 misorientation and (210) symmetric plane. Similar steps were also found in (310) and (320) boundaries. Flat segments between the steps were found to have very accurate misorientation of the {sigma}`s and a nearly symmetric boundary plane. Their rigid body translation, volume expansion and relaxed structures were determined by comparing HRTEM images with computer calculated structures and simulated images. An irregular core structure was found in the (410) boundary ...

UK PubMed Central (United Kingdom)

Our goal is to determine an optimized image-guided setup by comparing setup errors determined by two-dimensional (2D) and three-dimensional (3D) image guidance for head and neck cancer (HNC)...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The effect of molybdenum on the electronic structure of the passive films formed on ferritic (Fe-Cr and Fe-Cr-Mo) stainless steels is examined by capacitance and photoelectrochemical measurements. The capacitance study is supported by a mathematical analysis of the Schottky barrier developed at the semiconductor-electrolyte interface in the case of a semiconductor with multiple bulk electronic states in the bandgap. The numerical simulations, based on the more general Mott-Schottky relation proposed, are in good agreement with the experimental results. It can be concluded that the capacitance behavior of the passive films is related to the contributions of a shallow donor level very close to the conduction band and a deep donor level at about 0.4 eV below the conduction band. The addition of molybdenum decreases the donor density of the deep level. Photoeffects observed for subbandgap photon energies reveal that this deep ...

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.

British Library Electronic Table of Contents (United Kingdom)

The Physikalisch-Technische Bundesanstalt (PTB), Germany's national metrology institute, developed an alignment strategy to specify elemental depth profiling in vertical sidewall layers on structured wafers. For this purpose, PTB's irradiation chamber for 200?mm and 300?mm silicon wafers was used to combine total-reflection X-ray fluorescence (TXRF) and grazing incidence XRF (GIXRF) techniques by employing monochromatized undulator radiation of the BESSY II electron storage ring. 3-D test structures were fabricated to develop an optimal alignment strategy allowing for depth profiling in such nanolayers. The test structures consisted of silicon bars with widths/spacings either in the ?m or in the nm range. In order to be able to differentiate the sidewalls more easily from the remainder of ...

International Nuclear Information System (INIS)

First-principles plane-wave pseudopotential and full-potential linearized-augmented plane-wave methods have been used to study the elastic and electronic properties of several potential superhard RuO_2 phases. The structures, relative stabilities, and the elastic constants and bulk moduli of these phases have been calculated within local-density approximation (LDA) and generalized gradient approximation (GGA). In RuO_2, the LDA and GGA approximations yield smaller and larger lattice constants, respectively, for the Pa3-bar-RuO_2 structure. The internal structural parameter for oxygen atoms in the Pa3-bar structure has a volume dependence that differs from the experimental result and therefore implies a significantly different compression mechanism. The calculated bulk moduli are very similar for the fluorite and Pa3-bar structures and therefore apparently ...

International Nuclear Information System (INIS)

We explore the relation of nanostructures with the appearance of giant magnetoresistance (GMR) in melt-spun CuCo ribbons. We find by energy-filtered transmission electron microscopy that the ribbons are composed of a periodic distribution of Co within the Cu, as in spinodal decomposition. The lamellar structure should thus be associated with GMR, as only a small percentage of the Co is present in the form of grains. This is counterintuitive, for no clear interfaces are present as required by standard models, and the period of the composition oscillation (43-52 nm) is an order of magnitude larger than the mean free paths for electrons. Upon annealing, a secondary spinodal decomposition appears following the same direction as the original.

International Nuclear Information System (INIS)

Initial design parameters and early operational results of a 50 MeV high brightness electron linear accelerator are described. The system utilizes a radio frequency electron gun operating at a frequency of 2.856 GHz and a nominal output energy of 4.5 MeV followed by two, 2#pi#/3 mode, disc loaded, traveling wave accelerating sections. The gun cathode is photo excited with short (6 psec) laser pulses giving design peak currents of a few hundred amperes. The system will be utilized to carry out infra-red FEL studies and investigation of new high gradient accelerating structures.

International Nuclear Information System (INIS)

Experimental investigation data are systematized of free radical states and processes in irradiated proteins. The investigation is performed by the radiospectral methods. Results are discussed in detail of the study of free radicals electronic structure of amino acids, peptides and proteins formed by the action of ionizing radiation. The specificity is stressed of the study of monocrystalls of these compounds by the method of electronic paramagnetic resonance. The nature is also studied of primary centres formed under the effect of radiation on biologically important compounds and their subsequent reactions in solid and liquid solutions. Ion-radical states of different functional groups of the protein molecule are studied. Prospects of the study and the role of anion-radicals in biological processes are discusses.

International Nuclear Information System (INIS)

Mass spectrometry was instrumental in the discovery of the fullerenes and the characterization of their special structure (truncated icosahedron). High resolution and high sensitivity mass spectrometry in combination with a crossed molecular beam/electron beam ion source is used here to study a further, very unique property of singly and multiply charged fullerene ions (up to Z=7), i.e. their strong resilience towards decomposition via sequential C_2 evaporation and via Coulomb explosion, respectively. (author).

British Library Electronic Table of Contents (United Kingdom)

A problem of the catalytic activity definition for metals, binary metallic alloys, and semiconductor materials is considered within new quantum mechanical and electrodynamics approach in the electron theory of catalysis. The quantitative link between the electron structure parameters of the materials and their catalytic activity on example of simple model reactions of the following type are found: H = H+ + e, O2 + e- = O2-. Copyright 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

International Nuclear Information System (INIS)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu_2Si_2 and EuPd_2Si_2 ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value #nu#"c"r_e_f_f=2.1, corresponding to degeneration of the 4f"7 and 4f"6 configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

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 ...

Energy Technology Data Exchange (ETDEWEB)

In this paper, the influence of plasma nitriding at temperature 720 deg. C for 20 h on the surface microstructure and interface microstructure of electroplated chromium coating was investigated. In these conditions, interdiffusion, mixing and reaction phenomena of elements originating from the substrate and coating material are more likely to occur, thus increasing the bonding strength between the coating and carbon steel substrate. The change of the structures from the substrate side to the coating surface, and the effect of the substrate steel on the interface structure were studied by cross-sectional transmission electron microscope observation (XTEM). The nitride layer formed on the surface was analyzed by X-ray diffraction method (XRD). After treatment at above conditions a 6-7 {mu}m thick nitride compound layer was formed in surface region and the same thick carbide compound layer was also formed in the interface ...

British Library Electronic Table of Contents (United Kingdom)

In this paper, multilayer oxide nanorods were deposited in the nanopores of anodic aluminum oxide (AAO) via solution infiltration followed by heat treatment. The nanorods have a core-shell structure. First, the shell (nanotube) with the thickness of about 40nm was made of TiO"2 through the hydrolysis of (NH"4)"2TiF"6. Second, silver nanoparticles with the diameter of about 3nm were added into the TiO"2 layer through thermal decomposition of AgNO"3 at elevated temperatures. Then, cylindrical cores (nanorods) of CoO and ZnO with 200nm diameter were prepared, respectively. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterize the structure and composition of the nanorods. UV-vis light absorption measurements in the wavelength range from 350 to...

International Nuclear Information System (INIS)

The temperature dependence of the average magnetization direction in an Fe_8_0B_2_0 glassy alloy (METGLAS 2605) is investigated by Moessbauer spectroscopy. Moessbauer spectra were recorded between 77 K and 363 K using a conventional constant-acceleration Moessbauer spectrometer with 10 mCi "5"7Co in Pd source. The direction of the easy magnetization is found to be strongly terperature dependent and the out-of-plane component turned to be unusually large. Comparing the magnetic moments some similarities between the electronic structure of the glassy alloy and the Fe_2B and FeB intermetallic compounds are established and discussed. (Sz.N.Z.).

British Library Electronic Table of Contents (United Kingdom)

A concentric reducer tube, which was a part of the top exit roughing hydraulic descaler in a hot strip mill failed prematurely under working pressure. A detailed metallurgical investigation comprising physical examination, optical microscopy, scanning electron microscopy, and electron probe microanalysis was carried out to find out the genesis of the failure. Physical examination revealed cracks located symmetrically around the circumference of the tube that ran along its full length, up to the weld beads at both ends. Optical microscopy of etched samples revealed a banded ferrite-pearlite structure and the existence of forging folds near the change-in-section(160? fillets). Cracks were found to initiate from these forging folds. No structural abnormalities were found in the weld beads and...

International Nuclear Information System (INIS)

A series of sputtered tungsten-carbon multilayer structures with periods ranging from 2 to 12 nm in the as-prepared state and after annealing at 500 degrees C for 4 hours has been studied with high resolution transmission electron microscopy. The evolution with annealing of the microstructure of these multilayers depends on their period.As-prepared structures appear predominantly amorphous from TEM imaging and diffraction. Annealing results in crystallization of the W-rich layers into WC in the larger period samples, and less complete or no crystallization in the smaller period samples. X-ray scattering reveals that annealing expands the period in a systematic way. The layers remain remarkably well-defined after annealing under these conditions.

British Library Electronic Table of Contents (United Kingdom)

Fine-grained BaTiO3-based X7R ceramic materials were prepared and the effects of milling process on the core-shell structures and dielectric properties were investigated using scanning electron microscope, transmission electron microscope, and energy dispersive spectroscopy (EDS). As the milling time extends, the dielectric constant of the ceramics increases, whereas the temperature coefficient of capacitance at 125degreeC drops quickly. The changes in dielectric properties are considered relevant to the microstructure evolution caused by the milling process. Defects on the surface of BaTiO3 particles increase because of the effects of milling process, which will make it easier for additives to diffuse into the interior grains. As the milling time increases, the shell region gets thicker a...

International Nuclear Information System (INIS)

The chemical composition and the semiconducting properties of passive films formed on nickel based alloy (Alloy 600) in acidic sulphate solution, pH 2.0 at room temperature were studied using Auger analysis, voltammetric techniques and the Mott-Schottky approach. The results obtained revealed that the presence of both chromium and mixed nickel-iron oxides in the films leads to the development of a p-n heterojunction, which controls their electronic structure, similarly manner to the case of stainless steels and Alloy 600 in borate buffer solution. This behavior has been interpreted as representing of an oxide system, which has a duplex character, with an inner p-type semiconducting region, mainly formed by chromium oxide and an outer n-type semiconducting region, containing iron oxide. It could also be observed that the nickel oxide present in the films acts as a barrier layer conferring improved protection.

Energy Technology Data Exchange (ETDEWEB)

Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

International Nuclear Information System (INIS)

The use of Auger electron spectroscopy (AES) combined with in situ sputter etching for revealing the metallurgy of the metal-semiconductor interface is presented. The physical basis, measurement techniques, and data interpretation for Auger analysis of thin-film structures are briefly reviewed. Results of a detailed study of an alloyed multilayered contact (Ni/Au-Ge) on n-type epitaxial GaAs are summarized to illustrate how electrical and metallurgical contact properties can be correlated using AES. In addition, the results of a study of the growth kinetics and chemical phase identification of palladium silicide on single-crystal Si is given, as well as the initial results of a study of aluminum-palladium silicide interaction at elevated temperature.

International Nuclear Information System (INIS)

A theoretical study of electron and positron band structures of zinc-blende AlN and InN and their alloy Al_0_._5In_0_._5N is presented using the first-principles full-potential linearized augmented plane-wave method. Equilibrium lattices constants are determined from the total-energy minimization method. The results are compared with previous calculations and with experimental measurement. Electron and positron charge densities are computed as function of position in the unit cell. Detailed plots of distributions are along the direction. The ionicity factors are calculated by means of three different approaches. The calculated results of the positron charge density reflect the high insight for the annihilation effect.

Energy Technology Data Exchange (ETDEWEB)

A first-principles quasiparticle approach to the electronic excitation energies in crystals and at surfaces is described. The quasiparticle energies are calculated within the GW approximation for comparison with photoemission and other spectroscopic experiments. Applications of the method to bulk semiconductors and the Si(111)2[times]l, Ge(111)2[times]l. and H/Si(III) surfaces are presented. In both cases, significant self-energy corrections arising from many-electron effects to the excitation energies are found. Using atomic positions from total energy minimization, the calculated excitation energies explain quantitatively the experimental spectra. This approach thus provides an ab initio means for analyzing and predicting results from spectroscopic probes.

Energy Technology Data Exchange (ETDEWEB)

The preliminary design of a far-infrared free-electron laser with a Coaxial Hybrid Iron (CHI) wiggler is presented. The CHI wiggler consists of a central rod and outer ring of alternating ferrite and dielectric spacers. A periodic wiggler field is produced when the CHI structure is immersed in an axial magnetic field. The design under investigation makes use of 1A, 1MV annular electron beam interacting with the TE{sub 01} coaxial waveguide mode at approximately 1 THz ({lambda} = 300 {mu}m). The nominal wiggler period is 0.5 cm and the inner and outer waveguide radii are 0.4 and 0.8 cm, respectively. An axial guide field of 5-10 kG is used. The device performance is modeled with slow-time-scale nonlinear code. Self fields and axial velocity spread are included in the model. Theoretical results will be presented.

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and ...

British Library Electronic Table of Contents (United Kingdom)

Ruthenium(II) and Iridium(III) polypyridyl complexes have been intensively investigated due to their use in energy conversion and light-emitting devices and materials for non-linear optics. Quantum mechanical computer simulations of molecules and materials have become increasingly popular in the scientific community. Along with experimental investigations, such computational analyses can provide complementary information on the electronic and optical properties of transition metal compounds of interest for optoelectronic applications. Here, we provide a unified review of recent work carried out on computational investigations of a large series of Ruthenium(II) and Iridium(III) polypyridyl complexes, discussing the relations between their electronic structure and optical properties and thei...

Energy Technology Data Exchange (ETDEWEB)

The electron affinities of indium and thallium were measured in separate experiments using the laser-photodetachment electron spectroscopy technique. The measurements were performed at the University of Nevada, Reno. Negative ion beams of both indium and thallium were extracted from a cesium-sputter negative ion source, and mass analyzed using a 90{sup o} bending magnet. The negative ion beam of interest was then crossed at 90{sup o} with a photon beam from a cw 25-Watt Ar{sup +} laser. The resulting photoelectrons were energy analyzed with a 160{sup o} spherical-sector spectrometer. The electron affinity of In({sup 2}P{sub 1/2}) was determined to be 0.404 {+-} 0.009 eV and the electron affinity of thallium was determined to be 0.377 {+-} 0.013 eV. The fine-structure splittings in the ground states of the negative ions were also determined. The experimental measurements will be ...

International Nuclear Information System (INIS)

Focused ion beam (FIB) milling is a powerful and versatile tool for the maskless fabrication of structures and devices at micro- and nanometer scales. The approach is based on the milling and deposition capabilities of a focused ion beam, where the latter is achieved by ion-beam-assisted decomposition of a metalorganic gas precursor of the specific material that has to be deposited. The combination of FIB and scanning electron microscopy in the same unit (so-called dual-beam unit) further expands the capabilities of the approach by the possibility of performing electron-beam-assisted deposition and inspection. Permalloy nanowires with electrical contacts patterned by FIB-Pt deposition were prepared in the dual-beam unit. Various types of notches to pin magnetic domain walls were additionally fabricated by means of FIB. The fabrication parameters for a structural modification of the Permalloy ...

British Library Electronic Table of Contents (United Kingdom)

Methods of X-ray diffraction and transmission electron microscopy were used to study the microstructure of dispersion-strengthened Cu-Al2O3 nanocomposites obtained by the method of simultaneous deposition of Cu and Al2O3 from the vapor phase. The effect of the size of particles of the oxide (Al2O3) and of their content on the electrical resistance of the composite has been considered. The results obtained make it possible to suppose that the main structural factor that determines the electrical resistance of the composite are nanodispersed particles of Al2O3 with a size of less than 20 nm.

Energy Technology Data Exchange (ETDEWEB)

The level structure of the doubly-odd /sup 242/Am nucleus was investigated by means of thermal-neutron-capture gamma-ray and conversion electron spectroscopy. Pair, curved-crystal, and ..beta.. spectrometers were used. The data from these measurements, combined with previous direct reaction results, permit us to establish a detailed level scheme including six new well-developed bands. Our experimental results are interpreted in the framework of the Nilsson model. Precise Gallagher-Moszkowski splittings and Newby odd-even shifts extracted from the data are compared with theoretical calculations.

Energy Technology Data Exchange (ETDEWEB)

Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)

Energy Technology Data Exchange (ETDEWEB)

The magnetic and electronic properties of non-Fermi liquid UCu{sub 4Pd} depend on annealing conditions. Local structural changes due to this annealing are reported from UL{sub III}- and Pd K-edge x-ray absorption fine-structure measurements. In particular, annealing decreases the fraction of Pd atoms on nominally Cu 16e sites and the U-Cu pair-distance distribution width. This study provides quantitative information on the amount of disorder in UCu{sub 4Pd} and allows an assessment of its possible importance to the observed non-Fermi liquid behavior.

International Nuclear Information System (INIS)

The existence of characteristic longitudinal optical and transverse optical phonons of cubic ZnO in ZnO nano-tetrapods is determined by Raman spectroscopy and first-principles calculations. Stacking sequence change at the boundary of the core and legs is also identified by high-resolution transmission electron microscopy. Based on this experimental and theoretical evidence, we demonstrate that the lattice structure of ZnO nano-tetrapods is hierarchical with a zinc blende core connecting to four wurtzite legs. Furthermore, we establish the atomic configuration and propose a formation mechanism induced by Laplace pressure in the initial growth stage of ZnO nano-tetrapods.

International Nuclear Information System (INIS)

Scanning ion microscopy with polarization analysis (SIMPA) is used to study the spin-resolved surface magnetic structure of nano-sized magnetic systems. SIMPA is utilized for in situ topographic and spin-resolved magnetic domain imaging as well as for focused ion beam (FIB) etching of desired structures in magnetic or non-magnetic systems. Ultra-thin Co films are deposited on surfaces of Si(1 0 0) substrates, and ultra-thin, tri-layered, bct Fe(1 0 0)/Mn/bct Fe(1 0 0) wedged magnetic structures are deposited on fcc Pd(1 0 0) substrates. SIMPA experiments clearly show that ion-induced electrons emitted from magnetic surfaces exhibit non-zero electron spin polarization (ESP), whereas electrons emitted from non-magnetic surfaces such as Si and Pd exhibit zero ESP, which can be used to calibrate sputtering rates in situ. We report on new, spin-resolved magnetic ...

Science.gov (United States)

Ternary copper(II) complexes [Cu(L1)B](ClO4) (1, 2) and [Cu(L2)B](ClO4) (3, 4), where HL1 and HL2 are tridentate NSO- and ONO-donor Schiff bases and B is a heterocyclic base, viz. dipyrido[3,2-d:2',3'-f]quinoxaline (dpq, 1 and 3) or dipyrido[3,2-a:2',3'-c]phenazine (dppz, 2 and 4), were prepared and their DNA binding and photoinduced DNA cleavage activity studied. Complex 1, structurally characterized by single-crystal X-ray crystallography, shows an axially elongated square-pyramidal (4 + 1) coordination geometry in which the monoanionic L1 binds at the equatorial plane. The NN-donor dpq ligand exhibits an axial-equatorial binding mode. The complexes display good binding propensity to calf thymus DNA, giving a relative order 2 (NSO-dppz) > 4 (ONO-dppz) > 1 (NSO-dpq) > 3 (ONO-dpq). They cleave supercoiled pUC19 DNA to its nicked circular form when treated with 3-mercaptopropionic acid (MPA) by formation of hydroxyl ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Background: Obstructive sleep apnea (OSA), a highly prevalent condition, is independently associated with increased risks of developing type 2 diabetes mellitus (T2D) and metabolic syndrome. It is unclear, however, if the severity of OSA has any impact on glycemic control among patients with T2D. We therefore aimed to determine the independent association between OSA severity and glycosylated hemoglobin (HbA1c) in patients with T2D. Methods: This was an observational cross-sectional study of 52 consecutive patients attending the diabetes obesity clinic between January 2008 to February 2010 with risk factors for sleep apnea and who underwent polysomnography study. Clinical, demographic, and lifestyle data were recorded using a questionnaire. Results: Prevalence of OSA in this clini...