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Full-Potential Electronic Structure Method

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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.

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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 ...

UK PubMed Central (United Kingdom)

The use of sub-nanometer resolution electron density as spatial constraints for denovo and ab-initio structure prediction requires knowledge of protein boundaries...Full Text Available

International Nuclear Information System (INIS)

We report the homodyne detection of phase modulation sidebands induced on a laser beam by a coherently bunched electron beam. This provides a sensitive and nonperturbing measurement of complex Fourier time series components of the electron density. A proof-of-principle measurement of the microwave frequency component of electron density in a crossed-field device, which agrees well with a calculation of the same quantity, is reported.

International Nuclear Information System (INIS)

In the convolution/superposition method of photon beam dose calculations, inhomogeneities are usually handled by using some form of scaling involving the relative electron densities of the inhomogeneities. In this paper the accuracy of density scaling as applied to primary electrons generated in photon interactions is examined. Monte Carlo calculations are compared with density scaling calculations for air and cork slab inhomogeneities. For individual primary photon kernels as well as for photon interactions restricted to a thin layer, the results can differ significantly, by up to 50%, between the two calculations. However, for realistic photon beams where interactions occur throughout the whole irradiated volume, the discrepancies are much less severe. The discrepancies for the kernel calculation are attributed to the scattering characteristics of the ...

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The existence of a narrow peak of electron state density in A-15 is explained by a strong electron-phonon interaction that brings about the polaron narrowing of zone. In the supposition of weak and intermediate bond, the analytical expression for the critical transition temperature is found that corre lates Tsub(c) with phonon spectrum. The model permits to explain Tsub(c) correlation with the number of electrons per atom, temperature direction of resistance, value and temperature dependence of magnetic susceptibility and electron thermal capacity.

Energy Technology Data Exchange (ETDEWEB)

This study investigated dose to bone tissue in electron beam therapy. Measurements were made using films and thermoluminescent dosimeters in a polystyrene phantom containing bone inhomogeneity for 15-MeV, 12-MeV, and 9-MeV electron beams. An increase in dose of approximately 18%, 12%, and 11%, for the three electron energies respectively, relative to the dose in polystyrene, was found for bone material having an electron density (relative to water) of 1.73. Measurements were also made using films for 15- and 9-Mev electrons in a phantom with a mandibular bone and teeth. A dose enhancement in bone of approximately 10% and 7%, respectively, for the two energies was found in the phantom where the electron density of bone was about 1.60. These results suggest that injury to bone is possible in those clinical situations where ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

It is a traditional method to diagnose electron-cyclotron-resonance (ECR) plasma source, using a single probe to measure the current-voltage curve of the plasma, based on which and theoretic formula the plasma density can be computed. The article adopts a Langmuir probe having a role of emission electrons to measure two different current-voltage curves with and without emission. It is ease to get the plasma potential via the inflexion of the two curves and compute directly various physical quantities by the assistant computer, such as electron temperature, electron/ion density, plasma potential etc. The deviation is about percent 1.8 between the measurement results by traditional and the new method, but the latter has higher efficiency. (authors)

International Nuclear Information System (INIS)

This paper reports on the electron current to a Langmuir probe in a moving high-pressure plasma. The plasma is an atmospheric-pressure propane flame, and the probe's speed relative to the plasma is varied from 10 to 30 ms"-"1. The current is linearly dependent on the speed and appears to be comprised of two components - one driven by diffusion and the other by convection. A model is devised which can be used to measure the electron density. By comparing the density computed from this model to that measured from the ion current, it has been possible to measure the electron mobility in the flame gases. The value obtained here is in good agreement with theoretical calculations found in the literature.

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)

When polarized electrons traverse a region where the laser light is focused their polarization varies even if their energy and direction of motion are not changed. This effect is due to interference of the incoming electron wave and an electron wave scattered at zero angle. Equations are obtained which determine the variation of the electron-density matrix, and their solutions are given. The change in the electron polarization depends not only on the Compton cross section but on the real part of the forward Compton amplitude as well. It should be taken into account, for example, in simulations of the e#->##gamma# conversion for future #gamma##gamma# colliders. (orig.).

International Nuclear Information System (INIS)

The universal depression of the superconducting transition temperature T/sub c/ in disordered A-15 compounds is examined. Existing energy-band calculations are used to calculate the density of electron states, which is possibly enhanced by disorder in some cases such as Nb_3Ge. The dramatic drop in T/sub c/ in Nb_3Ge at a critical value of the resistivity is attributed to overdamping of acoustic plasmons which decreases the electron pairing interaction despite small changes in the density of states.

International Nuclear Information System (INIS)

Energy deposition process by relativistic fast electrons produced by ultra-intense laser pulses is discussed. The process is calculated with a two dimensional Fokker-Planck simulation code including binary and collective collisions coupled with electromagnetic field. We focused on Velocity Distribution Function (VDF) dependence in the simulation. The results show that the spread angle of the fast electrons distribution affects energy deposition area and deposited energy is concentrated in the vicinity of the propagation axis of the fast electrons. It may be also suggested that self-pinch effect of a fast electron beam causes large deposition energy. (author)

Energy Technology Data Exchange (ETDEWEB)

Electron scattering data have been used to obtain transition charge densities for the low-lying E2 transitions in /sup 88/Sr, /sup 89/Y, and /sup 90/Zr. These charge densities show a characteristic shape indicative of their microscopic constituency, modified by core-polarization effects. A good description of transitions in the even-even nuclei is obtained by using the measured single-particle transitions in /sup 89/Y as effective densities. .ID LV2086 .PG 19 22

International Nuclear Information System (INIS)

We report the implementation of positron wave function and lifetime calculations in the all-electron full-potential linearized augmented plane wave method. Calculations of lifetimes for more than 30 materials with two different forms of the enhancement factor were done and compared to prior calculations and experiment. We find that reasonable agreement with experiment can be obtained within the local density approximation when all-electron full-potential calculations are done.

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)

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.

CERN Document Server

The effects of strong Coulomb correlations in dense three-dimensional electron-hole plasmas are studied by means of unbiased direct path integral Monte Carlo simulations. The formation and dissociation of bound states, such as excitons and bi-excitons is analyzed and the density-temperature region of their appearance is identified. At high density, the Mott transition to the fully ionized metallic state (electron-hole liquid) is detected. Particular attention is paid to the influence of the hole to electron mass ratio $M$ on the properties of the plasma. Above a critical value of about M=80 formation of a hole Coulomb crystal was recently verified [Phys. Rev. Lett. {\\bf 95}, 235006 (2005)] which is supported by additional results. Results are related to the excitonic phase diagram of intermediate valent Tm[Se,Te], where large values of $M$ have been observed experimentally.

Science.gov (United States)

Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of ?-Pu. The fractions of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization or itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. Overall, ...

International Nuclear Information System (INIS)

The automatic real-time system operating at the LU-10 linac and providing measurements of the parameters such as the beam current (average and pulse values), the electron energy, the linear density distribution of beam current, and also the conveyor speed is described in the paper.

Energy Technology Data Exchange (ETDEWEB)

Interpretative transport has been used to revisit the global scalings of TJ-II ECRH plasmas from a local perspective. Density, rotational transform and ERCH power scans were analysed based upon Thomson Scattering data (electron density and temperature) in steady state discharges. A simple formula to obtain the thermal conductivity, assuming pure diffusion and negligible convective heat fluxes was used in a set of 161 discharges. All the analysis was performed with the ASTRA transport shell. The density scan indicates that inside n=0,4 there is no significant change of e with density in the range studied (0.4 <ne>(1019m-3) 1.0), while in 0,5 <0,8 approximately, e decreases with density. In the rotational transform scan it is found that the values of e when a low order rational of the rotational transform is present locally seem to be smaller ...

International Nuclear Information System (INIS)

The magnetic susceptibility of single and polycrystalline samples of the A-15 compounds (Vsub(1-x)Crsub(x))_3Si (0 <= x <= 1) is measured at temperatures between 4.2 and 320 K. The magnitude and the temperature dependence of the susceptibility diminish with increasing Cr concentration. Applying a peak model for the density of electronic states it is found that the change of the temperature dependence of the susceptibility with increasing Cr concentration is caused mainly by broadening of the peak in the density of electronic states. (author).

International Nuclear Information System (INIS)

Within the tight binding framework, a study is made of how the disorder affects the electronic properties of A-15 compounds. In particular it is shown that for compounds of two transition metals in the A-15 structure, the vacancy formation affects the density of states only in the low energy region or in the high energy region, in opposition with the isolated chain model of Labbe and Friedel. It is concluded that interchain interactions are important. (U.K.).

Energy Technology Data Exchange (ETDEWEB)

Density oscillations induced by MHD activities were observed in NBI heated plasmas on CHS by using an HCN laser interferometer. The accompanied changes of the density profiles were also observed. The oscillations are composition of m=0 sawteeth like crash and m=2 sinusoidal oscillations as a post courser of the crash. Possible models of the oscillation structure are examined in order to explain experimental data of the interferometer. Rotating plasma core, which is hollow profile and keeps constant elongation of the flux surface can explain amplitude and phase distribution of the sinusoidal oscillation. (author)

Science.gov (United States)

An estimate of the undercounted electrostatic energy terms in local-density-functional total-energy calculations for nonmetallic systems with separated electron-hole pairs is used to derive a simplified correction to density-functional - theory band gaps. The correction is evaluated for Ne, Ar, Kr, LiF, NaCl, CsCl, MgO, CaS, BaS, C, AlP, and Si. The band-gap errors are reduced from 40-50% to 10-15% for most of the systems studied. Conduction-band corrections are shown to be nearly as large as valence-band corrections in free-electron-like semiconductors. 28 references, 1 figure.

CERN Document Server

In this Ph.D. thesis a model for graphene in presence of quantized electromagnetic interactions is introduced. The zero and low temperature properties of the model are studied using rigorous renormalization group methods and lattice Ward identities. In particular, it is shown that, at all orders in renormalized perturbation theory, the Schwinger functions and the response functions decay with interaction dependent anomalous exponents. Regarding the 2-point Schwinger function, the wave function renormalization diverges in the infrared limit, while the effective Fermi velocity flows to the speed of light. Concerning the response functions, those associated to a Kekul\\'e distortion of the honeycomb lattice and to a charge density wave instability are enhanced by the electromagnetic electron-electron interactions (their scaling in real space is depressed), while the lowest order correction to the scaling exponent of the ...

Science.gov (United States)

Sixteen spectra of the symbiotic star BF Cygni covering the period 1965-- 1970 were investigated. Variations of the line intensities, the Balmer decrements, the color, and electronic temperatures are given. Approximate values of the electron density were deduced in order to derive an order of magnitude for the sizes of the emitting regions of BF Cygni. A crude stratification and evolution model is proposed. (auth)

Energy Technology Data Exchange (ETDEWEB)

The influence of MeV electrons irradiation on the gate oxide layers of hydrogenated polysilicon thin film transistors (TFTs) was investigated by measuring gate leakage currents and threshold voltages. The experimental data revealed a decrease of oxide trap density and increase of positive oxide charge. Improvement in the interface roughness and in the oxide quality near the bottom interface was observed.

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.

Science.gov (United States)

Results from scanning electron microscopy, Fourier transform infrared spectroscopy and the measurement of thermally stimulated current show that a high density of the physical defects and the chemical defects are introduced into the surface of the silicone rubber plates after they are treated by corona discharge plasma. These defects behave electrically as shallow electron traps, leading to the formation of a uniform discharge in air at higher pressure when the corona-modified silicone rubber is used in dielectric barrier discharge.

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.

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Electronic trap densities at the indium tin oxide (ITO)/hole transport layer (HTL) interface in operating organic light-emitting diodes (OLEDs) are characterized in situ using impedance spectroscopy. For OLEDs with a high density of active trap states, negative values of the frequency derivative of resistance are clearly observable for frequencies on the order of 10 kHz, whereas positive values are observed when the trap density is low With this technique, it is revealed that the trap density is minimized via the introduction of a TPD-Si{sub 2} (4,4'-bis[(p-trichlorosilylpropylphenyl) phenylamino]-biphenyl) passivation layer at the ITO/HTL interface or by the application of large electric fields during device operation. Furthermore, impedance spectroscopy illustrates that the ITO/HTL interface is not a simple series resistance when traps are present since they are shown not ...

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)

British Library Electronic Table of Contents (United Kingdom)

Density functional theory calculations were performed to study the effects of different substituents and bridge groups on the heats of formation (HOFs), thermal stability, and detonation properties for a series of diiminotetrazole derivatives. The isodesmic reaction method was employed to calculate the HOFs of the derivatives using total energies obtained from electronic structure calculations. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the diiminotetrazole derivatives. The detonation velocities and pressures were evaluated by using the semiempirical Kamlet-Jacobs equations, based on the theoretical densities and HOFs. These results provide basic information for the molecular design of novel high-energy density...

International Nuclear Information System (INIS)

In terms of the kinetic theory of the interaction between the high-power short-time laser pulses with plasma based on the propagator plotting for the plasma particle distribution functions one studied the generation of the hot electrons and of the fast ions as the relativistic femtosecond laser pulses travelled through the supercritical density plasma. One performed calculations based on the various values of the laser pulse intensity, types of the multiple-charged ions, the plasma inhomogeneity degree. One studied the acceleration mechanisms both of the plasma electrons and ions

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.

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)

Energy Technology Data Exchange (ETDEWEB)

A review of the deep-level defects observed in both electron- and proton-irradiated GaAs solar cells is presented. Studies of the effects of periodic and continuous thermal annealing on the radiation-induced electron and hole traps and the recombination parameters in GaAs solar cells were made for a wide range of electron and proton energies, fluence, annealing temperature and annealing time. A refined model for numerical simulations of the displacement damage was developed for computing the defect density and the cell parameters in the electron- and proton-irradiated GaAs solar cells. Excellent agreement was obtained between the calculated values and the experimental data for the proton-irradiated GaAs solar cells. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The basic idea is to implement Thomson scattering with free electron laser (FEL) radiation at near-solid density plasmas as a diagnostic method which allows the determination of plasma temperatures and densities in the warm dense matter (WDM) regime (free electron density of n{sub e} = 10{sup 21}-10{sup 26} cm{sup -3} with temperatures of several eV). The WDM regime [1] at near-solid density (n{sub e} = 10{sup 21}-10{sup 22} cm{sup -3}) is of special interest because, it is where the transition from an ideal plasma to a degenerate, strongly coupled plasma occurs. A systematic understanding of this largely unknown WDM domain is crucial for the modeling and understanding of contemporary plasma experiments, like laser shock-wave or Z-pinch experiments as well as for inertial confinement fusion (ICF) experiments as the plasma evolution follows its path through this ...

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 surfaces in YBa_2Cu_3O_7.

International Nuclear Information System (INIS)

This report is devoted to the investigation of the influence of electron collisions and radial non-uniformity of plasma density on phase characteristics, spatial attenuation and wave field structure of slow symmetric electromagnetic waves that propagate along cylindrical waveguide structure. It has been shown that collision rate and radial non-uniformity of plasma density for various parameters of waveguide structure and dielectric affect essentially on the wave characteristics and consequently, on the parameters of gas discharge that is sustained by this wave. The results obtained are of large importance for the construction of the theory of gas discharges that are sustained by the surface electromagnetic waves.

International Nuclear Information System (INIS)

It is pointed out that a recently claimed result regarding the removal of sharp structure in the electronic density of states N(E) of A-15 superconducting compounds at T approximately equal to Tsub(c) was in fact, shown earlier by one of the present authors (M.N.M.). Merely the variation of N(E) with energy in the vicinity of the Fermi level in these materials cannot explain their anomalous normal state properties and high values of lambda and Tsub(c). Rather a non-varying N(E) accompanied by phonon softening is in better agreement with experiment. (author).

International Nuclear Information System (INIS)

An annealing with the nanosecond laser light pulse is applied for crystal lattice reconstruction of a disturbed near-surface layer, which was created in semiconductor material as a result of the implantation process. Radiation with energy density higher than the threshold value causes the melting of the surface layer and than the epitaxial recrystallization from the melt on a different substrate. Structural changes occurring in the Ge implanted Si crystals after annealing with different energy densities are investigated by means of the cross-section high-resolution transmission electron microscopy. (author)

International Nuclear Information System (INIS)

Negative ions have attractive features as drivers for inertial confinement fusion, because they will avoid electron cloud effects, and could be efficiently photodetached to neutrals after the final focus, which could also be beneficial in heating warm dense matter targets. The halogens have large electron affinities, and thus should be able to produce high current densities of relatively robust negative ions. Recent experiments comparing chlorine beams to argon beams using the same source, extraction optics, and diagnostics have demonstrated that Cl"- beams can be produced with similar emittance to Ar"+ beams, and with about 34 the current density from the same configuration. The observed effective beam temperature of about 13eV, and the similarity of current densities show that negative halogen beams can meet the current density and emittance requirements of ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Thin Pt, Pd, Pt_2Si, PtSi, Pd_2Si, Ni, Mo, W, Nb, Ti, V films deposited on Si single crystal were treated by using electron beam pulses of 60 ns duration in the 0.4-4 J/cm"2 energy density range. Irradiation of these structures produces at the same time many phases. Post-thermal annealing of the reacted layer induces the formation of a stable phase, the same obtained by only thermal treatment in a conventional furnace. A linear relationship between the energy density range and the lowest eutectic temperature of the compounds formed has been found. Further SEM observations seem to identify a liquid layer from which the phases are forming by subsequent fast cooling. (author).

Energy Technology Data Exchange (ETDEWEB)

A new principle of particle trapping in the simple spherical cavity using both electric and magnetic components of radiofrequency electromagnetic field is proposed. The electric component of H {sub 12} oscillating mode drives the fast particle oscillations, while the magnetic component synchronously bends the trajectories to the cavity center. A specially developed theory of particle stability predicts dense and energetic electron cluster in the trap. Numerical simulations of particle dynamics in the complete electromagnetic field taking into account both space charge and particle-induced magnetic field are in good agreement with the analytic results, giving a density of 2.6*10{sup 1} electrons/cm{sup 3} and an average kinetic energy of around 30 keV at an operating frequency of 3 GHz. Being used at lower frequency, spherical cavity can trap protons and heavier ions too, but with lower density and ...

International Nuclear Information System (INIS)

The universal depression of the superconducting transition temperature T/sub c/ in disordered A-15 compounds is examined. It is found that their anomalous behavior can be explained by a simple model for the density of states, which is enhanced by disorder in some cases. The dramatic drop in T/sub c/ in constant density-of-states A-15 compounds like Nb_3Ge or Nb_3Al at a critical value of the resistivity can be attributed to overdamping of acoustic plasmons, which decreases the electron pairing interaction despite relatively small changes in the density of states. Agreement for T/sub c/ and susceptibility chi with previous calculations is found of the position of the Fermi energy is near a peak. Possible experiments are proposed to check the above models.

International Nuclear Information System (INIS)

Experiments of plasma nitriding of titanium are carried out by two plasma sources. One is a microwave discharge plasma source under several Torr, and the other is a nitrogen arc jet generated under atmospheric pressure followed by rapid expansion into a gas wind tunnel. The relationship between the surface density of nitrogen atoms in the #alpha#-Ti and various plasma parameters is systematically studied. For the microwave nitrogen plasma, it is found that the effect of the vibration temperature is the most essential for the surface nitriding, whereas the effect of electron temperature, density and rotation temperature is less remarkable. It is also found that the higher vibration temperature of the microwave discharge nitrogen plasma makes the target temperature higher, and consequently, the surface density of atomic nitrogen remarkably increased. However, the effect of target temperature is less ...

Science.gov (United States)

The galvanomagnetic properties of single-crystal samples of the Bi{sub 0.93}Sb{sub 0.07} semiconductor alloy with the electron density n = 1.6 x 10{sup 17} cm{sup -3} in magnetic fields up to 14 T at T = 1.6 K have been investigated. The resistivity {rho} and Hall coefficient R have been measured as functions of the magnetic field directed along the binary axis of a crystal for a current flowing through a sample along the bisector axis; i.e., the components {rho}{sub 22} and R{sub 32,1} have been measured. The strong anisotropy of the electron spectrum of the samples makes it possible to separately observe quantum oscillations of the magnetoresistance {rho}{sub 22}(H) for H -parallel C{sub 2} in low magnetic fields for two equivalent ellipsoids with small extremal cross sections (secondary ellipsoids) and in high magnetic fields for electrons of the ellipsoid with a large extremal cross section (main ...

International Nuclear Information System (INIS)

The tool materials durability problem, in particular shock and wear resistance, has allowed to formulate a set of requirements and also to stablish the dependence between physical properties and wear. However, for understanding the nature of the process, for example determining the tribological property of the cutting tool, it is necessary to consider the atom interactions in a crystal. A theoretical study of the physical properties of cutting tool materials (W-Ti-C) with varying concentration of titanium is presented. Total and partial local electronic density for each atom in such hard solutions were calculated. (nevyjel)

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)

The electronic structure of the clusters [V_3Si_4]"1"2"-, [Nb_3Sn_4]"1"2"-[Mo_3Ge_4]"1"5"- in crystalline V_3Si, Nb_3Sn, Mo_3Ge 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. (author).

International Nuclear Information System (INIS)

It is experimentally demonstrated that a relatively strong ion-rich sheath formed at a fixed negative bias of the grid can be changed to a rather weak ion sheath (sheath potential weakly retards electrons) only by increasing the discharge voltage in the system. At sufficiently high negative grid bias, an increase of discharge voltage enhances the ion collection current at the grid. An explanation is put forward in support of this experimental observation. A slight density enhancement with a fall in plasma electron temperature is also observed with the increasing negative grid bias. (authors)

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)

Recent two major topics of Large Helical Device (LHD) towards fusion relevant conditions, high-density operation and high-ion-temperature operation, are reported. Super dense core plasma was obtained by the combination of repetitive hydrogen ice pellet injection and high power neutral beam injection (NBI) heating. A very peaked density profile with the highest central density of 1.1x1021 m-3 was produced showing that the particle transport was suppressed very well in the plasma core. The spatial density varies as the position of magnetic axis (Rax), and the steepest profile is obtained at Rax=3.95 m. The highest central ion temperature of 5.6 keV was obtained in hydrogen plasma at electron density of 1.6 x 1019 m-3 by NBI, where a peaked ion-temperature profile with internal ion energy transport barrier was observed. The profile of electron ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Titanium and aluminum alkoxide derivatives with polymerizable ligands such as 2-(methacryloyloxy)ethylacetoacetate (HAAEMA), oleic acid and geraniol (HOGE) have been obtained. The various compounds have been characterized by FT-IR and NMR {sup 1}H. Copolymerization with styrene and divinylbenzene affords porous doped organic materials which have been characterized by scanning electron microscopy (SEM), elemental analysis, density measurements.

International Nuclear Information System (INIS)

The case of spontaneous radiation of channeled ultrarelativistic particles is considered when the dipolarity condition is not satisfied. The change of the particle longitudinal velocity affecting the maximum radiation frequency is included. The angular and frequency characteristics of the radiation for superhigh energies are studied for the first time. It is shown that there is an optimum energy at which the radiation density is maximum. The influence of the angle at which electrons enter a crystal and of the beam divergence on the radiation is investigated. The problem of quasichanneled particle radiation and also the radiation in axis-plane transitions are considered. (author).

UK PubMed Central (United Kingdom)

A 3.0-Å resolution electron density map of lobster glyceraldehyde-3-phosphate dehydrogenase (EC 1.2.1.12) was computed. The essentially single isomorphous replacement map was very substantially...Full Text Available

International Nuclear Information System (INIS)

To calculate the energy band structures in semiconductors using the relativistic augmented plane wave method, atomic potential and charge density are needed, which are calculated by self-consistent method. Wave function for one electron is determined by solving the Dirac equation with the Hartree-Fock equation based on the slater's exchange potential. The results of calculation for Cu"+"1 are given. (Author).

International Nuclear Information System (INIS)

The beam-beam interaction in the Tevatron produce the betatron tune spread in each bunch and a bunch-to-bunch tune spread. The tune spread sets limits on bunch intensity and luminosity. The beam-beam effects for antiprotons are usually more severe since the proton bunch population is higher. The beam-beam effects for antiprotons can in principle be compensated with the use of an electron beam with a corresponding charge density. The status of studies of possibilities of the beam-beam compensation is reviewed in this paper.

British Library Electronic Table of Contents (United Kingdom)

The utilization of thermal fluctuations or Johnson/Nyquist noise as a spectroscopic method to determine transport properties in conductors or semiconductors is developed. The autocorrelation function is obtained from power spectral density measurements thus enabling electronic transport property calculation through the Green-Kubo formalism. This experimental approach is distinct from traditional numerical methods such as molecular dynamics simulations, which have been used to extract the autocorrelation function and directly related physics only. This work reports multi-transport property measurements consisting of the electronic relaxation time, resistivity, mobility, diffusion coefficient, electronic contribution to thermal conductivity and Lorenz number from experimental data. Double va...

International Nuclear Information System (INIS)

The results of experiments received on the plasma focus (PF) device with energy stored equal 4 kJ are represented. Photos of the current plasma sheath (CPS), pre-pinch, sphere-like plasma formations are produced with help of the electron-optical converter contained a gated micro-channel plate (MCP) and the CCD-camera imaging system in the visible region. The redial velocity of the CPS is about 107 cm/s. Neon plasma electron density measured with help of the interferograms in the visible region and the spectra in the soft X-ray region is equals to 3?1018 cm-3. Electron temperature is equal to about 200 eV. Discharge integral photos were obtained with help of the soft X-ray pinhole camera. Pictures with 2 ?s resolution of the plasma luminescence above PF anode region were made by CCD-camera.

British Library Electronic Table of Contents (United Kingdom)

We have studied the nature of continuum emitted in the visible spectral range from a noncontracted positive column of discharge in a cesium vapor-xenon mixture at a pressure of 45 Torr and at a degree of ionization below 3 ? 10?6. The main contribution to the continuous emission under such conditions is due to electron-xenon atom bremsstrahlung. The intensity of emission has been experimentally and theoretically studied as a function of the electric field strength and electron density in the positive column. It is established that an increase in the visible emission intensity with the electric field strength is related to an increase in the number of hot electrons in plasma.

British Library Electronic Table of Contents (United Kingdom)

In this article we derive longitudinal impedance and wake function for an undulator setup with arbitrary undulator parameter, taking into account a finite transverse size of the electron bunch. Earlier studies considered a line density-distribution of electrons instead. We focus our attention on the long-wavelength asymptote (compared with resonance wavelength), at large distance of the electron bunch from the undulator entrance compared to the overtaking length, and for large vacuum-chamber size compared to the typical transverse size of the field. These restrictions define a parameter region of interest for practical applications. We calculate a closed expression for impedance and wake function that may be evaluated numerically in the most general case. Such expression allows us to deriv...

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 ...

Energy Technology Data Exchange (ETDEWEB)

This paper examines the correlation between mechanical properties and the density, phase, and hydrogen content of deposited alumina layers, and compares them to those of sapphire and amorphous alumina synthesized through ion-beam irradiation of sapphire. Alumina films were deposited using electron beam evaporation of aluminum and co-bombardment with O{sub 2}{sup +} ions (30-230 eV) from an electron cyclotron resonance (ECR) plasma. The H content and phase were controlled by varying the deposition temperature and the ion energy. Sapphire was amorphized at 84 K by irradiation with Al and O ions (in stoichiometric ratio) to a defect level of 4 dpa in order to form an amorphous layer 370 nm thick. Nanoindentation was performed to determine the elastic modulus, yield strength and hardness of all materials. Sapphire and amorphized sapphire have a higher density and exhibit superior mechanical properties in ...

CERN Document Server

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. Uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn-Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach the chemical accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn-Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn-Sham orbitals and the electron density are evaluated from ...

International Nuclear Information System (INIS)

For the study of radiation biology and its application to radiotherapy, the double differential cross section of electron emission from water vapor induced by 6.0 MeV alpha particle beam is measured. The energy spectra of electrons ranging 7- 10000 eV are detected by the electrostatic analyzer and micro channel plate. The measurements are made at angles between 20 and 160 degrees. With use of this data set, the radial dose distribution in water is calculated by using KURBUC code. It is the Monte Carlo type code of the electron transport process, where the track of the electron is simulated through each individual interactions including elastic scattering, ionization cross section and total excitation cross section in case that electrons with certain energy are put in the liquid-density water. In order to understand the effect of radiation when the particle flux ...

International Nuclear Information System (INIS)

We provide a numerically efficient procedure to perform LDA+Hubbard I calculations including self-consistency over the charge density in the FP-LAPW basis. The method is applied to Pu, Am, and PuAm and PuCe alloys. Our results for valence photoemission spectra (PES) agree with experimental data and with previous LDA+DMFT calculations. Analysis of the J=5/2 and J=7/2 contributions to the f-occupation supports the intermediate-coupling picture of f-states in heavy actinides. The electronic specific heat coefficient is calculated for PuAm and PuCe alloys in reasonable agreement with recent experiments. We show that Pu atoms keep their mixed-valence character in these alloys. Next, we study electronic and spectral properties of Pu-based superconductor PuCoGa_5 and obtain good agreement with experimental PES. Finally, we analyze surface effects. In Pu monolayer, we find substantial modification of PES due to ...

CERN Document Server

We aim to obtain a consistent description of non-thermal emissions from Abell 2256 and to give a prediction for a gamma-ray emission from this galaxy cluster. Assuming that a radio relic illuminates a localization of an ongoing merger, and that both radio and non-thermal part of hard X-ray emission are due to electron component of cosmic rays filling the relic, we derived from radio and hard X-ray properties of the relic in A2256 the magnetic field strength and number densities for relativistic electrons and protons. Due to the interpretation of the radio relic as a structure formed just where a shock front is, we discuss a gamma-ray emission at the cluster periphery. The estimated strength of the magnetic field in the relic is equal to 0.05 \\muG, while the amplitude of the electron number density varies from 3 x 10^{-4} to 3 x 10^{-5} cm^{-3} (respectively for the relic thickness ...

International Nuclear Information System (INIS)

The detailed electronic energy band structure of hexagonal close-packed #alpha#-zirconium, corresponding to the atomic configuration of 4d"25s"2 of its four outermost valence electrons, has been computed by the composite-wave variational version of the augmented-plane-wave(APW) method in conjunction with the X#alpha#(#alpha# = 0.70424) exchange approximation for obtaining the potentials. From these data the electronic density of states and its angular-momentum-decomposed components have been obtained by the Raubenheimer-Gilat method. These quantities are required in order to calculate the electron-phonon interaction parameter (lambda) and the superconducting transition temperature (Tsub(c)) within the framework of the theories of Gaspari and Gyorffy and McMillan. A study of the variation of Tsub(c) with the Coulomb pseudopotential (#mu#*) revealed that #mu#* = 0.1 yields the best ...

International Nuclear Information System (INIS)

The electron-beam qualities with and without free electron laser (FEL) oscillations were investigated in the compact storage ring NIJI-IV. The peak-electron density in a bunch was suppressed by beam instabilities, so that it was limited to about 1.0 x 10"1"7 m"-"3. The maximum FEL gain estimated for 215 and 300 nm using a well-known one-dimension theory was about 2.8% and 4.6%. The cavity loss at 300 nm was evaluated to be about 2% from the threshold beam current. The bunch length and energy spread with FEL oscillations increased by 1.3 times or more due to bunch heating. The ratio of the FEL gain to a cavity loss estimated from the beam qualities with and without FEL oscillations was almost in accord with the ratio evaluated directly with the measured data of the FEL gain and the cavity loss. (author)

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

The properties of AlN make this material very attractive for optical, electronic, and tribological application. Also, if the AlN could be formed on the Al surface to enhance its surface properties, Al could be applied for the lightening of machine parts. However, a dense oxide film exists on the surface of Al, which prevents the formation of the Al nitride even during plasma nitriding and plasma coating process. In this study, plasma nitriding has been tried to form an AlN layer on Al after the surface activation processes. During the plasma nitriding, the density of the nitrogen ions was amplified by means of controlling the power of the Al substrates. The film thickness, microstructural features and the mechanical properties such as hardness and wear properties of the AlN layer were examined as a function of the process parameters of pretreatment and plasma nitriding

International Nuclear Information System (INIS)

We have studied the features of formation and the possible stationary structures of a self-consistent magnetic field in a relativistic collisionless plasma, which are characteristic of a simple geometry of the Weibel instability that is well known in the nonrelativistic case. The universal condition is established, the growth rate is determined, and the criteria of saturation of the Weibel instability are analyzed for a broad class of anisotropic particle distribution functions (for definiteness, in application to an electron-positron plasma). A nonlinear equation of the Grad-Shafranov type describing the potential current structures is derived and its solutions are analytically studied. Special attention is paid to spatially harmonic, nonlinear current configurations with parameters determined by the properties of the initial homogeneous plasma subject to the Weibel instability. It is demonstrated that the magnetic field energy density in the ...

International Nuclear Information System (INIS)

The exclusive electroproduction of ?0 mesons was studied with the HERMES spectrometer at the DESY laboratory by scattering 27.6 GeV positron and electron beams off a transversely polarized hydrogen target. Spin density matrix elements for this process were determined from the measured production- and decay-angle distributions of the produced ?0 mesons. These matrix elements embody information on helicity transfer and the validity of s-channel helicity conservation in the case of a transversely polarized target. From the spin density matrix elements, the leading-twist term in the single-spin asymmetry was calculated separately for longitudinally and transversely polarized ?0 mesons. Neglecting s-channel helicity changing matrix elements, results for the former can be compared to calculations based on generalized parton distributions, which are sensitive to the contribution of the total angular momentum of the quarks to the ...

Energy Technology Data Exchange (ETDEWEB)

Passive films formed on Alloy 690 in high-temperature alkaline environments were investigated by potentiodynamic polarization, X-ray photoelectron spectroscopy, transmission electron microscopy and Mott-Schottky approach. Passive current density and donor density of the passive films increase with increasing temperature, due to increased diffusion rates of metallic ions and dehydration of hydroxide phases. The passive films show a duplex structure including an inner layer of fine-grained Cr oxide or spinel oxide and an outer layer of Ni-Fe spinel oxide and Ni hydroxide. A growth model of the passive films on Alloy 690 in high-temperature alkaline environments is proposed and discussed.

International Nuclear Information System (INIS)

Reduction of the metallic impurity concentration in the TCA plasma has enabled us to correlate the observed heating with the calculated position where the rf energy is deposited. In modelling the measured antenna loading due to the presence of Alfven resonance surfaces, and hence inferring the energy deposition profile, both ion cyclotron effects and the toroidal geometry must be considered. In particular, toroidicity couples energy to resonance surfaces that would not be excited in cylindrical geometry. The increase in electron density during a rf pulse changes the positions of these surfaces so that spectrum-related effects may be observed. The appearance of a new surface at the centre of the plasma is seen as a sharp discontinuity on many of the macroscopic parameters, accompanied by evidence of changes in the current density profile. These results, and the predictions of numerical codes, have imposed new constraints on ...

International Nuclear Information System (INIS)

A two module electron beam source operating over a wide range of output parameters has been designed and fabricated to be used in conjunction with a pair of electron beam sustained CO_2 lasers. Each module comprised a grid-controlled thermionic electron beam gun including a compact grid pulser for control of the electron beam, a 250 kV thyratron switched modulator for acceleration of the electron beam, a 1 kHz filament heater and a complex computerized control system. The system was designed to reliably produce 45 #mu#s wide electron pulses of 150-200 keV energy, operate at repetition rates of 1-10 pps and current densities of 5-20 mA/cm"2. Additional parameters are listed. The high voltage cathode assembly employs 132 thoriated tungsten filaments distributed over the area of the 250 cm x 10 cm output window. The cathode assembly including ...

International Nuclear Information System (INIS)

Field emitter devices are being developed for the gigatron, a high-efficiency, high frequency and high power microwave source. One approach being investigated is porous silicon, where a dense matrix of nanoscopic pores are galvanically etched into a silicon surface. In the present paper pore morphologies were used to characterize these materials. Using of Scanning Electron Microscope (SEM) and Transmission Electron Microscope (TEM) images of both N-type and P-type porous layers, it is found that pores propagate along the <100> crystallographic direction, perpendicular to the surface of (100) silicon. Distinct morphologies were observed systematically near the surface, in the main bulk and near the bottom of N-type (100) silicon lift-off samples. It is seen that the pores are not cylindrical but exhibit more or less approximately square cross sections. X-ray diffraction spectra and electron diffraction patterns ...

Science.gov (United States)

Proposed future space-based beam weapons systems will most probably require an intense neutral particle beam for effective operation across geomagnetic field lines. Such neutral beams can most efficiently be obtained by stripping excess electrons from negative ion beams. The objective of this work is to study the process of dissociative attachment of electrons. Specifically, to measure the cross sections for polar dissociation and dissociative attachment for production of H(-). It is suspected that these dissociative attachment cross sections for the production of H(-) from alkali hydrides are large. The insight gained from this study will be extremely helpful in the fabrication of high current density H(-) beam sources for use in the production of intense neutral hydrogen beams. A selection of alkali hydride molecules will be investigated in order to determine the largest cross sections for the production of H(-) by ...

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 ...

International Nuclear Information System (INIS)

We investigate the possibility of kaon condensation in the dense interior of neutron stars through the s-wave interaction of kaons with nucleons. We include nucleon-nucleon interactions by using simple parametrizations of realistic forces, and include electrons and muons in #beta#-equilibrium. The equation of state above the condensate threshold is derived in the mean field approximation. The conditions under which kaon condensed cores undergo a transition to quark matter containing strange quarks are also established.The critical density for kaon condensation lies in the range (2.3-5.0)#rho#_0, where #rho#_0=0.16 fm"-"3 is the equilibrium density of nuclear matter. The critical density depends largely on the value of the strangeness content of the proton, the size of which is controversial. For too large a value of the strangeness content, matter with a kaon condensate is not sufficiently stiff to ...

International Nuclear Information System (INIS)

The influence of electron-beam irradiation on mechanical properties of commercial multilayer flexible packaging materials based on coextruded and laminated polypropylene (PP), low-density polyethylene (LDPE), ethylene vinyl alcohol copolymer (EVOH) and poly(ethylene terephthalate) (PET), irradiated with doses up to 120 kGy, was studied. The tensile strength and elongation at break of the irradiated PET/PP film increase, while the penetration and sealing resistance decreased. In addition, the irradiated PET/LDPE/EVOH/LDPE film presented increase in the tensile strength on some radiation doses and decrease of the penetration and sealing resistance, except for sealing resistance at radiation dose of 15 kGy that resulted in a slight increase of ca 4%.

International Nuclear Information System (INIS)

The structural, electronic and optical properties of ZnX and CdX (X = Se, Te and S) are studied using density functional theory by the Wien2k package. The energy band gap, real and imaginary parts of the dielectric function, energy loss function, optical absorption coefficient and reflectivity spectra of these compounds are calculated. The Engel-Vosko approach improves the energy band gaps of ZnX and CdX compounds. The calculated optical parameters are in good agreement with available experimental results, particularly in the Engel-Vosko approach. Furthermore the effect of hydrostatic pressure on the energy band gap, the real and imaginary parts of the dielectric function of these compounds is studied. The first and second order pressure coefficient for the energy band gaps, the static dielectric function and the static reflectivity spectra are calculated.

International Nuclear Information System (INIS)

The radiation hardening studies started in the mid decade 1960-1970. To survive the different military or space radiative environment, a new engineering science was born, to understand the degradation of electronics components. The different solutions to improve the electronic behavior in such environments have been named 'radiation hardening' of the technologies. Improvement of existing technologies, and qualification methods have been widely studied. However, on the other hand, specific technologies were developed: the Silicon On Insulator technologies for CMOS or Bipolar. The HSOI3HD technology offers today the highest hardening level for the integration density of hundreds of thousand transistors on the same silicon. Full complex systems could be produced on a single die with a technological radiation hardening and no more system hardening.

British Library Electronic Table of Contents (United Kingdom)

During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose "kernels" partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even furt...

Energy Technology Data Exchange (ETDEWEB)

Charge transport in disordered organic semiconductors is generally described as thermally activated hopping in a gaussian distribution of localized states. The presence of charge traps is critical to the performance of organic electronic devices, since trapped charge carriers do no longer contribute to the current flow. The trap distribution in the polymer poly(3-hexylthiophene) (P3HT) is investigated by applying the fractional thermally stimulated current technique. Thereby, a low temperatur double-peak distribution has been revealed. One of the peaks is believed to belong to the tail of the intrinsic density of states, whereas the other trap is strongly affected by exposure to oxygen. We discuss the influence of oxygen exposure time on the trap distribution.

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

Energy Technology Data Exchange (ETDEWEB)

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent agreement with ...

International Nuclear Information System (INIS)

Data by Wiesmann et al. on the temperature coefficient of the upper critical field, dH/sub c/2(T)/dT, and the normal-state resistivity rho_0 near the superconducting transition temperature T/sub c/ are analyzed to estimate the bare density of states N (E/sub F/) as a function of structural disorder and T/sub c/ in various #alpha#-particle irradiated samples of A-15 Nb_3Ge and Nb_3Sn. By taking into account the change in the electron-phonon coupling strength with T/sub c/ and the effect of mass enhancement arising from the electron-phonon interaction, the results of the new analysis indicate that (i) the drop in N (E/sub F/) for Nb_3Ge is relatively small as T/sub c/ changes from approx. 21 to approx. 4 K, in agreement with a recent low-temperature specific-heat measurement; (ii) the value of N (E/sub F/) in Nb_3Sn decreases by a factor of approx. 4 as T/sub c/ varies from approx. 18 to approx. 3 K. The implication of these ...

Energy Technology Data Exchange (ETDEWEB)

This paper builds on earlier work to give a consistent treatment of the positive column of discharges in electronegative gases covering the transition from collisionless to collisional. In particular it seeks to elucidate the conditions under which there is an ion-ion plasma core surrounded by an electron-ion plasma, and when there is not. The parameters which describe the processes of ionization, attachment, detachment and recombination are related to the central negative ion density relative to the electron density and, where appropriate, the size of the core. The use, by earlier workers, of the Boltzmann approximation to describe the negative ion distribution and to obtain ambipolar diffusion coefficients at higher pressures is shown not to be justified. This leads to the clarification of an inconsistency in the literature. Where possible, the work is related to other recent treatments of the same ...

International Nuclear Information System (INIS)

The question concerning the existence of an electronic topological transition (ETT) in Zn metal under quasi-hydrostatic pressure at #approx#6.6 GPa caused a considerable controversy in the literature. We briefly review low-temperature "6"7Zn-Moessbauer data and scalar-relativistic augmented plane wave calculations and give a consistent interpretation in terms of an ETT. To highlight some important aspects of the controversy two theoretical and two experimental publications will be discussed in more detail. At present the existence of an ETT in Zn metal is disputed both from an experimental and from a theoretical point of view. The suggestion of a transition to a commensurate spin-density wave at #approx#6.6 GPa instead of an ETT may reconcile the seemingly contradictory results of "6"7Zn-Moessbauer experiments at 4.2 K and of room temperature inelastic neutron scattering measurements. However, it does not explain the anomalies found in ...

Energy Technology Data Exchange (ETDEWEB)

Two major modes of CO adsorption on SiO{sub 2}-supported Pd reflect different extents of back-donation, which is, at least in part, controlled by the local electron density at the adsorption site. The fraction of CO in the bridging mode (B) increases and that of the linear mode (L) decreases, with increasing size of the Pd particles, indicating high electron density at Pd atoms in terraces of close-packed crystal faces, in agreement with Smoluchowski's classical model. For samples reduced at 300{degree}C our data points and those of other authors are located on a common curve of B/L vs metal dispersion. Extensive reduction at 600{degree}C results in significantly lower B/L values, attributed to the incipient formation of a palladium silicide. Oxidation followed by reduction at 300{degree}C destroys the silicide, and the B/L value returns to the original curve.

International Nuclear Information System (INIS)

Small-angle X-ray scattering method recognised to be very useful in the studies of structural problems of materials in homogeneous in nanoscale. Studies by small-angle X-ray scattering on the Al-Ag alloys are presented. The size distributions of spherical Guinier-Person zones were calculated using Vonk's and Glatter's methods. Small-angle X-ray scattering studies were performed on Al-5.0 at.%Ag alloy containing Guinier-Preson zones in the #eta#-state. For this alloy one can assume that scattering particles are of spherical shape, have uniform electron density and scatter independently. Moreover, the size distributions were calculated for Al-1.6 at.%Ag alloy containing Guinier-Preston zones in #epsilon#-state (scattering particles with not uniform electron density). Both, Vonk's and Glatter's, methods gave similar size distributions. Profiles of size distributions for Guinier-Preston zones in ...

International Nuclear Information System (INIS)

A low-molybdenum austenitic stainless steel (UNS S30100) has been surface implanted with molybdenum ions, using various doses of 50 keV and 140 keV ions at room temperature. It is found that in aqueous sulphate/chloride solutions similar to the constitution of sea-waters the implantation does not affect the potentiostatically-determined critical pitting potential, but does change the density and morphology of corrosion pits. Pitting initiation after the addition of chloride at a fixed potential indicates little change in the time for measurable current increase, but the rate of increase of the current is much lower for implanted material. Detailed examination using optical microscopy, scanning electron microscopy, transmission electron microscopy and selected area diffraction suggests that the pits produced in implanted material are hemispherical with smooth covers of unattacked alloy. The use of half-implanted samples ...

International Nuclear Information System (INIS)

In this work, the Calibration-Free approach for Laser-Induced Breakdown Spectroscopy (CF-LIBS) was applied for the first time to radially resolved spectra emitted by a laser-induced plasma. The radial profiles of plasma temperature and electron number density were used to calculate the local relative concentration of the elements of interest. We analyzed a set of profiles of the local spectral emission coefficient obtained previously by means of spatial deconvolution of the spectra from a copper-based alloy (Cu 93, Fe 5, Mn 1, Ni 1 wt.%) laser-induced plasma. A spatially integrated spectrum of the same plasma was also analyzed for comparison purpose. The relative abundance of the minor components Fe, Mn and Ni was calculated. The results obtained from the central region of the plasma were closer to the nominal concentrations than those obtained from the spatially integrated spectrum. However, an increasing deviation was observed towards the ...

Energy Technology Data Exchange (ETDEWEB)

The influence of small amounts of alloying elements (0.36% Cu and 0.47% Cr) on the semiconducting properties of passive films formed on weathering steels was investigated either in tetraborate/boric acid buffer solution (pH 9.2) or artificial atmospheric environment (SO{sub 2}-containing environment). The electrochemical behaviour was assessed by potentiodynamic polarisation, capacitance measurements and photoelectrochemistry. The chemical characterisation of the films was carried by Auger electron spectroscopy. The polarization results obtained in the buffer solution show that the addition of chromium decreases the passive current density. The capacitance results show that the films behave as an n-type semiconductor with shallow and deep donor levels situated in the forbidden gap. The presence of copper seems to affect the density of the shallow and of the deep donor levels in the forbidden gap, and as chromium, it also ...

Energy Technology Data Exchange (ETDEWEB)

By using a plasma nitriding procedure at the PUPR Mirror Cusp Plasma machine, surface hardness is increased in 302/304-type stainless steel samples by exposing them to high-ion-density plasma at high vacuum. This method successfully dopes the surface of the material with strengthening nitrogen ions, without the use of chemical procedures that sacrifice the resistance to corrosion of the given material. A 500 V negative bias is placed on the sample exposed to the nitrogen plasma, where high-energy ions are therefore attracted and immersed into the metallic matrix microns into the surface of the stainless steel. This potential maintains a constant surface temperature at approximately 800 deg. C. The plasma parameters including ion density and plasma temperature were diagnosed using single Langmuir probes. The stainless steel samples were then tested using scanning electron microscopy (SEM), and Vickers micro-hardness testing ...

Science.gov (United States)

The Energy crisis happens to be one of the greatest challenges we are facing today. In this view, much effort has been made in developing new, cost effective, environmentally friendly energy conversion and storage devices. The performance of such devices is fundamentally related to material properties. Hence, innovative materials engineering is important in solving the energy crisis problem. One such innovation in materials engineering is porous materials for energy storage. Porous electrode materials for lithium-ion batteries (LIBs) offer a high degree of electrolyte-electrode wettability, thus enhancing the electrochemical activity within the material. Among the porous materials, mesoporous materials draw special attention, owing to shorter diffusion lengths for Li+ and electronic movement. Nanostructured mesoporous materials also offer better packing density compared to their nanostructured counterparts such as nanopowders, nanowires, ...

International Nuclear Information System (INIS)

Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)

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)

Energy Technology Data Exchange (ETDEWEB)

Sol-gel chemistry has a great many potential applications in the preparation of unique electrochemical materials, from non-equilibrium transition metal oxides which may be of use as high energy density electrodes, to high-surface area mixed oxides which may possess high proton conductivity, to novel composite structures consisting of inorganic gels in combination with organic, electronic, and ionic conductors. This paper reviews prior work on proton conduction in gel systems and presents recent work regarding electrode materials prepared by sol-gel methods and inorganic-organic materials.

International Nuclear Information System (INIS)

Apparent growth of amorphous layers during low temperature annealing was observed in low energy Ge"+-implanted (0 0 1)Si by high-resolution transmission electron microscopy. The occurrence of abnormal growth is due to the randomization of heavily damaged regions beneath the original amorphous/crystalline interfaces. The randomization process is attributed to the strain, incurred by the presence of a high density of large Ge atoms in the heavily damaged Si substrate, relaxation to lower the free energy of the systems. The randomization upon annealing may be fruitfully applied to minimize the transient enhanced diffusion in shallow junction formation.

International Nuclear Information System (INIS)

Some results on mechanical property study of copper and titanium subjected to impact load and next to neutron irradiation are presented. It was shown that shock wave influence involves a substantial shape change of the stress-strain diagram and of respective mechanical characteristics. Yield- and ultimate strength were substantially increased, as well as hardness with a considerable drop of plasticity. Also a heat stability of copper and titanium specimens was studied after being treated with shock-waves and neutron radiation. Results are given of electron microscope study of titanium structure sfter explosion hardening, which caused decomposition of hydride segregations in titanium and increased dislocation density.

International Nuclear Information System (INIS)

Currentless plasma in Uragan-3M (U-3M) is produced and heated by absorption of RF power in the region of Alfven waves (AW). The process of plasma heating was explained in (2) as a result of Cherenkov absorption of energy of the fast (EM) and slow (kinetic Alfven) waves by electrons and turbulent ion heating due to excitation of short wave ion Bernstein waves (IBW). In this report we present results of studies of plasma density fluctuations showing existence of a narrow bands near the frequencies of ? ? n?ci (n=1,2,3).

Energy Technology Data Exchange (ETDEWEB)

We investigated the effects of additives to the etching solution of 1 M hydrochloric acid on the electrochemical etching behavior for aluminum electrolytic capacitors, using scanning and transmission electron microscopy, and AC impedance spectroscopy. For the addition of 1 M sulfuric acid or 5% ethylene glycol to the hydrochloric acid solution, the distribution of etch tunnels was more uniform with high density of etch pits compared with that without addition. The highest specific surface area was obtained from the electrolyte with 5% ethylene glycol additive. The correlation of internal morphologies of etched foils with impedance parameters was interpreted by impedance techniques.

Energy Technology Data Exchange (ETDEWEB)

The carrier mobility in organic disordered materials, such as conjugated polymers, plays an important role in understanding the behaviour of organic electronic devices. We investigated the mobility of charge carriers in poly(3-hexylthiophene) (P3HT) using different current transient measurement methods. Besides the conventional transient photoconductivity experiment, time-of-flight (TOF), we used extraction current transient techniques, such as charge carrier extraction by linearly increasing voltage (CELIV), probing equilibrium carriers instead. The field and temperature dependence of the mobility are discussed in view of hopping transport in a Gaussian density of states distribution.

International Nuclear Information System (INIS)

Epitaxial CeO_2 buffer layers were fabricated by pulsed laser deposition (PLD) on r-cut sapphire substrates. An atomically flat CeO_2 surface with a high density of nanodots was formed by a self-assembly process. Scanning transmission electron microscopy and energy-dispersive X-ray spectroscopy investigation showed that the nanodots were CeO_2 other than impurities. YBa_2Cu_3O_7_-_#delta# (YBCO) thin films were then grown on the annealed and the as-grown CeO_2-buffered sapphires by PLD. The transport measurement results showed that the nanodots enhanced the effective pinning potential and significantly increased critical current density (J _c). Especially, YBCO films with an annealed CeO_2 buffer layer showed a high J _c peak when the applied field was directed along the c-axis of YBCO. Cross-section transmission electron microscopy investigation revealed that the J _c peaks in YBCO with annealed CeO_2 ...

International Nuclear Information System (INIS)

We apply our previously developed first-principles nonlocal pseudopotentials (obtained for all atoms of rows 1--5 in the Periodic Table) to study self-consistently the electronic structure of Si and Ge and the transition metals Mo and W. For Si and Ge we find that the first-principles pseudopotentials yield valence-band states in good agreement with the empirically adjusted pseudopotential and photoemission data, whereas the low conduction-band states appear to be consistently lower in energy due apparently to incomplete cancellation of the self-interaction effects. The calculated x-ray scattering factors (obtained by core orthogonalization of the pseudo-wave-functions) are in excellent agreement with experiment. The self-consistent valence charge density shows a distinct elongation of the covalent bond along the internuclear axis, in good agreement with the experimentally synthesized density. The systematic deviations of ...

International Nuclear Information System (INIS)

Electron cyclotron resonance heating (ECH) in BPX is planned as a possible upgrade to supplement the baseline ion cyclotron resonance frequency (ICRF) system. Eventual implementation primarily depends on the development of the required source technology. ECH offers important technical advantages over ICRF: High radio-frequency (FR) power density can be transmitted through ports (P/A >#approx# 100 MW/M"2), and the antenna need not be in contact with the plasma for efficient coupling. In particular, low-field side, linearly polarized (O-mode) power injection will suffice. By controlling the N spectrum, or by steering the antenna, the power deposition profile can be controlled during ramping of the magnetic field even with a fixed frequency source. Because of the possibility of localized power deposition, ECH is a natural candidate for controlling magnetrohydrodynamic (MHD) activity. Sawtooth oscillations may be prevented by heating in the ...

International Nuclear Information System (INIS)

Simulation irradiation experiments were carried out to investigate the formation processes and contribution to hardening of radiation-induced features in low alloy steels. Medium Cu (0.12 and 0.16%) and low Cu (0.03%) A533B steels were irradiated with 3 MeV Ni ions and 5 MeV electrons, and in KUR at 290degC. Irradiated steels were examined by three-dimensional atom probe, positron annihilation, high-resolution transmission electron microscopy and hardness measurements. Electron irradiation caused almost the same hardening as KUR irradiation in medium Cu steels under almost the same dose rate and dose conditions, whereas the formation of larger, denser and more Cu enriched clusters and smaller accumulation of single vacancies were confirmed for KUR irradiation. This indicated that cascade damage provides additional cluster nucleation sites to compensate for lower free point defect production. High dose rate Ni ion ...

International Nuclear Information System (INIS)

In this article we derive longitudinal impedance and wake function for an undulator setup with arbitrary undulator parameter, taking into account a finite transverse size of the electron bunch. Earlier studies considered a line density-distribution of electrons instead. We focus our attention on the long-wavelength asymptote (compared with resonance wavelength), at large distance of the electron bunch from the undulator entrance compared to the overtaking length, and for large vacuum-chamber size compared to the typical transverse size of the field. These restrictions define a parameter region of interest for practical applications. We calculate a closed expression for impedance and wake function that may be evaluated numerically in the most general case. Such expression allows us to derive an analytical solution for a Gaussian transverse and longitudinal bunch shape. Finally, we study the feasibility ...

Energy Technology Data Exchange (ETDEWEB)

Electron interference in the presence of nonclassical microwaves with frequency {omega}{sub 1} and classical RF radiation with frequency {omega}{sub 2}, is studied. The relative phase factor between the two electron beams is a quantum-mechanical operator, whose expectation value with regard to the density matrix describing the nonclassical microwaves, determines the interference. It is shown that the visibility of the time-averaged intensity is a constant for all irrational values of {omega}{sub 1}/{omega}{sub 2}, and shows peaks (fractional Shapiro steps) at all rational values. These peaks can provide direct experimental evidence of the highly nonlinear processes of frequency conversion from {ital N} photons with frequency {omega}{sub 1}, to {ital M} photons with frequency {omega}{sub 2}. Results for various types of nonclassical microwaves (e.g., coherent states, squeezed states, number eigenstates, etc.) are derived and ...

International Nuclear Information System (INIS)

The micro-arrangement of hydrogen atoms and the electronic properties of hydrides LaNi_5H_x (0.5, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0) have been systematically investigated by means of the density functional theory using the full-potential linearized augmented plane wave (FLAPW) method with the generalized gradient approximation (GGA). The calculated results indicate that H atoms prefer to occupy the 12n site in the #alpha# solid solution phase. For the #beta# phase, once the first H atom locates in the basal plane (12n site), and because it is difficult for the second H atom to still locate in the 12n site, the second H atom would prefer to occupy the middle plane site (6m site). When the number of H atoms increases from 3 to 5, they would occupy the other 12n and 6m sites by turns. Furthermore, our optimized data indicate that the structures P3 and P63mc are the most favorable structures of LaNi_5H_6 and LaNi_5H_7, respectively. From the ...

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH molecule with O facing the surface adsorbed at a h3 adsorption site and the H atom ...

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

The MTX experiment was proposed in 1986 to apply high frequency microwaves generated by a free-electron laser (FEL) to electron cyclotron resonance heating (ECRH) in a high field, high density tokamak. As the absorption of microwaves at the electron cyclotron resonance requires high frequencies, the opportunity of applying a free-electron laser has appeal as the device is not limited to frequencies in the microwave or long millimeter wavelength regions, in contrast to many other sources. In addition, the FEL is inherently a high power source of microwaves, which would permit single units of 10 MW or more, optimum for reactors. Finally, it was recognized early in the study of the application of the FEL based on the induction linear accelerator, that the nonlinear effects associated with the intense pulses of microwaves naturally generated would offer several unique opportunities to ...

Energy Technology Data Exchange (ETDEWEB)

X-ray magnetic diffraction (XMD) technique was applied to an orbital ordering compound of ferromagnetic YTiO{sub 3} for the first time. The orbital-magnetic form factor {mu} {sub L}(k) and the spin-magnetic form factor {mu} {sub S}(k) were independently measured by utilizing the LS separation ability of the XMD. The {mu} {sub L}(k) was measured for ten reciprocal-lattice points. No significant values of the {mu} {sub L}(k) were observed for most of the reciprocal-lattice points within the estimated statistical errors, which suggested quenching of the orbital moment. The {mu} {sub S}(k) was measured for 22 reciprocal-lattice points. Fourier synthesis of the {mu} {sub S}(k) gave the spin density distribution m {sub S}(r) in the real space. The obtained m {sub S}(r) map shows the characteristic feature of the electron distribution of 3d electron in the t{sub 2g} state of a Ti atom coordinated by O{sup 2-} ions, in which the ...

International Nuclear Information System (INIS)

The operation and proper handling of equipment for measuring EMR-300 electromagnetic waves are studied and apply that knowledge to determine which areas of the metropolitan area are mostly affected by exposure to the emission of radiation. This team is able to measure magnetic field strength, electric field strength and power density, also can measure the most important parameters in a simple manner. International standards provide maximum values for these parameters that limit human exposure to such radiation. These standards are based on epidemiological several and laboratory that have been carried out in order to determine in which circumstances a biological entity is exposed to a level of radiation that can cause harm to their health. It focuses on measuring the level of radiation in certain areas of interest, which were chosen because are areas with high population density and also in proximity to antennas that emit electromagnetic waves. ...

Energy Technology Data Exchange (ETDEWEB)

The WEGA stellarator is used to confine low temperature, overdense (densities exceeding the cut-off density of the heating wave) plasmas by magnetic fields in the range of B=50-500 mT. Microwave heating systems are used to ignite gas discharges using hydrogen, helium, neon or argon as working gases. The produced plasmas have been analyzed using Langmuir and emissive probes, a single-channel interferometer and ultra-high resolution Doppler spectroscopy. For a typical argon discharge in the low field operation, B=56 mT, the maximum electron density is n{sub e}{proportional_to}10{sup 18} m{sup -3} with temperatures in the range of T=4-12 eV. The plasma parameters are determined by using Langmuir probes and are cross-checked with interferometry. It is demonstrated within this work that the joint use of emissive probes and ultra-high resolution Doppler spectroscopy allows a precise measurement of the radial ...

CERN Document Server

We analyse how the structure of the inner curst is influenced by the pairing correlations. The inner-crust matter, formed by nuclear clusters immersed in a superfluid neutron gas and ultra-relativistic electrons, is treated in the Wigner-Seitz approximation. The properties of the Wigner-Seitz cells, i.e., their neutron to proton ratio and their radius at a given baryonic density, are obtained from the energy minimization at beta equilibrium. To obtain the binding energy of baryonic matter we perform Skyrme-HFB calculations with zero-range density-dependent pairing forces of various intensities. We find that the Wigner-Seitz cells have much smaller numbers of protons compared to previous calculations. For the dense cells the binding energy of the configurations with small proton numbers do not converge to a well-defined minimum value which precludes the determination of their structure. We show that for these cells there is ...

Energy Technology Data Exchange (ETDEWEB)

Using standard brass alloy samples, an approach to reduce the laser-induced breakdown spectroscopy measurement uncertainty was tested and proved. Two important parameters for plasma characterization, the plasma temperature and the electron density, were applied to minimize the signal uncertainties due to uncontrollable experimental parameter variations. Results show that for the pulse-to-pulse analysis, the signal fluctuations can be significantly reduced by utilizing the plasma characteristic information. The major source for the single pulse fluctuations is the redistribution of the characteristic line at different temperatures according to the Boltzmann distribution under LTE. The change of the degree of ionization also contributes to the signal fluctuations. For the multi-pulse analysis, due to the nonlinear relationship between the plasma temperature and the line intensity, it is not applicable to utilize the Boltzmann distribution to ...

Science.gov (United States)

The design and parameters of a UV-VUV spontaneous radiation source - an excilamp operating on chlorides of rare gases ArCl{sup *}, KrCl{sup *} and XeCl{sup *} in the wavelength range 175-308 nm are presented. The Ne-Xe(Kr, Ar)-HCl mixtures were excited by a high-pressure self-sustained discharge with spark preionisation. It is shown that upon pumping mixtures of rare gases and halogens by a transverse discharge, the intensities of the B-X emission band of molecules ArCl{sup *}, KrCl{sup *} and XeCl{sup *} are comparable and up to 90% of the emission energy of excilamps can be concentrated in the UV region. The peak UV power density at 222 and 308 nm on the output window of the excilamp was {approx}2 kW cm{sup -2} for the pulse energy up to {approx} 3 mJ. The output emission energy of the excilamp at 175 nm achieved {approx}0.6 mJ and the peak power density was {approx}0.4 kW cm{sup -2}. (laser applications and other topics in quantum ...

Energy Technology Data Exchange (ETDEWEB)

The optoelectronic and excitonic properties in a series of linear acenes are investigated using range-separated methods within time-dependent density functional theory (TDDFT). In these highly-conjugated systems, we find that the range-separated formalism provides a substantially improved description of excitation energies compared to conventional hybrid functionals, which surprisingly fail for the various low-lying valence transitions. Moreover, we find that even if the percentage of Hartree-Fock exchange in conventional hybrids is re-optimized to match wavefunction-based CC2 benchmark calculations, they still yield serious errors in excitation energy trends. Based on an analysis of electron-hole transition density matrices, we also show that conventional hybrid functionals overdelocalize excitons and underestimate quasiparticle energy gaps in the acene systems. The results of the present study emphasize the importance of ...

CERN Document Server

Primordial black holes are unique probes of cosmology, general relativity, quantum gravity and non standard particle physics. They can be considered as the ultimate particle accelerator in their last (explosive) moments since they are supposed to reach, very briefly, the Planck temperature. Upper limits on the primordial black hole number density of mass $M_{\\star} = 5 10^{14}$ g, the Hawking mass (born in the big-bang terminating their life presently), is determined comparing their predicted cumulative $\\gamma$-ray emission, galaxy-wise, to the one observed by the EGRET satellite, once corrected for non thermal $\\gamma$-ray background emission induced by cosmic ray protons and electrons interacting with light and matter in the Milky Way. A model with free gas emissivities is used to map the Galaxy in the 100 MeV photon range, where the peak of the primordial black hole emission is expected. The best gas emissivities and additional model ...

International Nuclear Information System (INIS)

A scalar-relativistic procedure for calculating the valence-electron contribution to the total energy of bulk and thin-film solids has been developed and applied to the fcc and bcc phases of the group-VIB transition elements Cr, Mo, and W. This approach, which is based on the linear augmented-plane-wave method and local-density-functional theory, contains no shape approximations for either the charge density or potential. The formulation adopts a rigid-core approximation and incorporates an exact treatment of the core-charge tails that extend beyond the muffin-tin spheres. The application of this procedure to bcc Cr, Mo, and W yields calculated lattice parameters and bulk moduli that are in good (Cr) to excellent (Mo and W) agreement with experiment. The present calculated properties also agree quite well with the results of previous calculations involving a variety of band-structure methods. The calculated fcc-bcc energy ...

International Nuclear Information System (INIS)

In this work we study the structural and electronic properties of Be chalcogenides (BeS, BeSe and BeTe) using two different methods: the full-potential linear augmented-plane wave (FP-LAPW) and the plane-wave pseudopotential (PPsPW). The exchange-correlation effects are treated in the local-density approximation (LDA) and the generalized-gradient approximation (GGA). We have evaluated the ground-state quantities such as equilibrium volume, bulk modulus and its pressure derivative as well as the elastic constants. Various structural phase transitions were considered here in order to confirm the most stable structure and to predict the phase transition under hydrostatic pressure. In addition we have studied the band structure and the density of states, which show a wide indirect band gap for these compounds. These results were in favourable agreement with previous theoretical works and the existing experimental data. To ...

Energy Technology Data Exchange (ETDEWEB)

The pulse radiolysis technique has been employed in studying charge-transfer reactions of anionic C{sub 2}O{sub 4}{sup {minus}}, and cationic C{sub 2}O{sub 4}{sup +} species in supercritical carbon dioxide (scCO{sub 2}) over a range of reduced densities {rho}{sub r} = 0.36--1.5 and at a reduced temperature of T{sub r} = 1.03. The absorption spectrum measured in the visible region with a maximum around 700 nm is assigned to the dimer cation C{sub 2}O{sub 4}{sup +}. The pressure dependence of charge-transfer reactions was examined using dimethylaniline (DMA), benzoquinone (BQ), and oxygen as charge acceptors. The reaction rates of DMA with cations, and BQ with anions are at or near the diffusion-controlled limit. The rates decrease an order of magnitude with increase of pressure. The reaction of C{sub 2}O{sub 4}{sup +} with oxygen is much slower with an almost constant rate over the pressure range examined. The measured rate constants of ...

International Nuclear Information System (INIS)

The radio, optical, x-ray and gamma-ray nebulae that surround many pulsars are thought to arise from synchrotron and inverse Compton emission. The energy powering this emission as well as the magnetic fields and relativistic particles are supplied by a 'wind' driven by the central object. The inner parts of the wind can be described using the equations of MHD, but these break down in the outer parts, when the density of charge carriers drops below a critical value. This paper reviews the wave properties of the inner part (striped wind), and uses a relativistic two-fluid model (cold electrons and positrons) to re-examine the nonlinear electromagnetic modes that propagate in the outer parts. It is shown that in a radial wind, two solutions exist for circularly polarized electromagnetic modes. At large distances one of them turns into a freely expanding flow containing a vacuum wave, whereas the other decelerates, corresponding to a confined flow.

British Library Electronic Table of Contents (United Kingdom)

A mission to the surface of Venus would have high scientific value, but most electronic devices and sensors cannot operate at the 450degreeC ambient surface temperature of Venus. Power and cooling systems were analyzed for Venus surface operation. A radioisotope power and cooling system was designed to provide electrical power for a probe operating on the surface of Venus. For a mission duration of substantial length, the use of thermal mass to maintain an operable temperature range is likely impractical, and active refrigeration may be required to keep components at a temperature below ambient. Due to the high thermal convection of the high-density atmosphere, the heat rejection temperature was assumed to be at a 500degreeC radiator temperature, 50degreeC above ambient. The radioisotope S...

Energy Technology Data Exchange (ETDEWEB)

An analysis is presented of the electron temperature in a linear device which includes the effect of thermal conduction, heat flux limit, radiation, and end plugs. It is found that the thermal conduction and the heat flux limit are dominant in the initial phase of cooling, while the later phase is almost completely controlled by radiation that spatially homogenizes the temperature distribution. In the case of bremsstrahlung, within the frame of the present model, the temperature decays to zero in a finite time. This process takes the form of a cooling wave that moves from the ends of the column to the center. Impurities cause a milder, exponential decay, which is still much faster than the algebraic conduction decay. The thermal effectiveness of the end plugs is described by a convective transfer coefficient h/sub p/. Its scaling law (in terms of the coupled plamsa-plug system) reveals that a very high plug-plasma density ratio provides a ...

International Nuclear Information System (INIS)

Surface energy of III-V semiconductors ended by (110) clean surface and surface covered by atomic monolayer of aluminium, copper and sulfur has been calculated. We have used the Greens-function technique based on the scheme of linear muffin-tin orbitals in the atomic sphere approximation (LMTO-ASA) for the crystal potential and width the local density approximation (LDA) for electrons. Two types of coverage are considered: full monolayer with two additional atoms per two-dimensional unit cell and half monolayer with one additional atom per unit cell. Full monolayer of metallic atoms increases the surface energy. Cu atoms lead to greater destabilization than Al atoms. Sulfur atoms stabilize (110) surface for all considered compounds. (author)

CERN Document Server

We present high-resolution hydrodynamical simulations of the degree and direction of polarisation imprinted on the CMB by the Sunyaev-Zel'dovich effect in the the line of sight to massive galaxy clusters. We focus on two contributions which contribute most of the induced CMB polarisation in addition to the intrinsic CMB quadrupole: the radiation quadrupole seen by electrons due to their own velocity in the plane normal to the line of sight, and the radiation quadrupole due to the thermal Sunyaev-Zel'dovich effect, which is generated by a previous scattering elsewhere in the cores of the local and nearby clusters. We show that inside the virial radius of a massive cluster, this latter effect, although being second order in the optical depth, can reach the level of the former effect. These two effects can, respectively, constrain the projected tangential velocity and inner density profile of the gas, if they can be separated with multi-frequency ...

Energy Technology Data Exchange (ETDEWEB)

The reduction of oxygen was studied in 0.1 M KCl at 70 deg. C using the rotating disk electrode (RDE) technique on platinum and electrodeposited ZnO thin film electrodes deposited on platinum substrates. In the absence of Zn{sup 2+} ions in solution, a Tafel slope of 139 mV dec{sup -1} was obtained, a value close to that measured on bare platinum electrode (133 mV dec{sup -1}) and ascribed to the limitation of the reaction rate by the first electron transfer. The main difference between the noble metal and the oxide electrode was a shift of the curves towards more negative potentials. In the presence of Zn{sup 2+} ions, the current density decreased significantly and the Tafel slope was measured at 282 mV dec{sup -1} showing that the electrode was partially blocked by zinc oxide formation reaction intermediates.

Energy Technology Data Exchange (ETDEWEB)

The neutron transition multipole moment, M/sub n/, for (0/sup +/..-->..2/sup +/, 1.84 MeV) transition is inferred by measuring the (..cap alpha..,..cap alpha..') angular distribution at E/sub ..cap alpha../ = 50 MeV and comparing it with a microscopic distorted-wave Born approximation calculation. Proton transition densities are taken from electron scattering data. M/sub n//M/sub p/ is found to be substantially less than N/Z in agreement with the (p,p') result.

Energy Technology Data Exchange (ETDEWEB)

A 15-nm lithium fluoride (LiF) thin film evaporated on glass substrate is shown to enhance the nucleation of microcrystalline Si grown by plasma enhanced chemical vapour deposition at the amorphous/microcrystalline boundary conditions. The effect is more pronounced at low substrate temperatures, nucleation density being 10 times higher at {approx} 80 {sup o}C. The effect is ascribed to the ionic chemical nature of LiF, the low work function material used in organic electronic devices, and we propose its use for micro patterning crystalline Si regions in otherwise amorphous Si film.

International Nuclear Information System (INIS)

Nickel ion radiation at 500 C was shown to have a strong effect on the surface electrochemistry and intergranular corrosion (IGC) of stainless steel (SS). Measured current densities in a 1 N sulfuric acid solution at room temperature were increased at active-passive, passive, and transpassive potentials. Radiation effects on the current decay behavior and susecptibility to IGC were similar for a fine-grained (FG) S alloy and for a very large-grained (LG) SS. Radiation-induced segregation (RIS) at the surface was believed to promote higher currents at short times, whereas segregation at grain boundaries was responsible for IG attack. Analytical electron microscopy (AEM) measurements revealed chromium and iron depletion plus Ni and silicon enrichment at grain boundaries in irradiated specimens. Si enhanced dissolution at transpassive potentials, whereas Cr depletion did the same at active-passive and passive potentials.

International Nuclear Information System (INIS)

Conventional interconnect and switching technology is rapidly becoming a critical issue in the realization of systems using high speed silicon and GaAs based technologies. In recent years clock speeds and on-chip density for VLSI/VHSIC technology has made packaging these high speed chips extremely difficult. A strong case can be made for using optical interconnects for on-chip/on-wafer, chip-to-chip and board-to-board high speed communications. GaAs integrated optoelectronic circuits (IOC's) are being developed in a number of laboratories for performing Input/Output functions at all levels. In this paper integrated optoelectronic materials, electronics and optoelectronic devices are presented. IOC's are examined from the standpoint of what it takes to fabricate the devices and what performance can be expected.

International Nuclear Information System (INIS)

Engineering details of a high voltage driven corona-plasma ozone generator are described. The plasma diode of generator has coaxial cylindrical geometry with cathode located inside anode. Cathode is made of a large number of radial gas nozzles arranged on central tubular mast which admits oxygen gas. The sharp endings of the nozzles along with a set of corona rings create the high electric field at the cathode required for formation of dense corona plume responsible for O_3 evolution. A model of coronal plasma generation and ozone production is presented. The plasma formation is strongly dependent on the electric field and temperature in side diode where a high electron density in a low temperature negative corona is suited for high ozone yields. These are established by suitable regulation of A-K gap, voltage, oxygen pressure, and cathode-nozzle population.

Energy Technology Data Exchange (ETDEWEB)

Initial ICRF heating experiment in the LHD was carried out in 1998. One pair of the movable loop antennas was used and the coupling resistance was around one ohm for the low density ECH plasma. The loading characteristics were consistent with the fast wave excitation. By applying the ICRF heating of 300 kW to the ECH target plasma, the diamagnetic energy was increased from 13 kJ to 26 kJ. The heating performance was decided by hydrogen mixture rate on puffing gas. Efficient electron heating was observed at the higher hydrogen gas ratio. These results can be explained by the one dimensional wave analysis calculation on slab plasma model. (J.P.N.)

International Nuclear Information System (INIS)

The self-consistent-pseudopotential method is applied to the A-15 compounds Nb_3Ge and Nb_3Al. The Fermi energy is found to lie in a region of very flat bands having a bonding character along the Nb chains. Comparison with the band structures of the (nonexistent) A-15 materials Nb_3Nb and Nb_3/sup asterisk/ (chains only) suggest that the p states on the Ge and Al atoms are instrumental in determining the position of the Fermi level. There is little evidence for rigid-band behavior in the Nb_3Al/sub x/Ge/sub 1-x/ system. Studies of the effects of chain dimerization in Nb_3Ge suggest that states at R and M are more likely candidates to participate in structural transitions than states at GAMMA or X.

Energy Technology Data Exchange (ETDEWEB)

Wood plastic composite (WPC) of kadom, simul, mango and debdaro were prepared with two monomers methylmethacrylate (MMA) and butylmethacrylate (BMA) using high energy ionizing radiation. X-ray diffraction and scanning electron microscope (SEM) studies reveal that significant grafting occurred with wood fiber. Electric properties like resistivity and dielectric constant of both wood and WPC were measured under different moisture contents and relative humidities. The resistivities of wood decreased dramatically with increase of moisture content, but those of WPC decreased very slowly with moisture content. The dielectric constant of wood increased significantly with moisture content but no significant difference was observed in the case of WPC within the range of moisture contents studied. The dielectric constants of untreated wood also increased with their densities. (author).

International Nuclear Information System (INIS)

By method of transmission electron microscopy and measuring of microhardness the peculiarities of influence of radiation defect clusters on molybdenum radiation hardening along range path of protons with 30 MeV initial energy are studied. Decrease effect of hardening growth value and even its absence depending on irradiation dose in the range of 10-20 MeV proton energies in presence of high density of radiation defect dispersed clusters is revealed. It is shown experimentally that this effect is connected with accumulation of hydrogen up to not very high concentrations (not more than 5x10"-"4 at.%) at the expense of elastic and inelastic proton scattering. 5 refs.; 5 figs.

British Library Electronic Table of Contents (United Kingdom)

The z-phase, existing between 35% and 70% U in Pu, belongs to the high-density phases seen from the point of view of systematics of allotropic modifications of Pu metal. Despite the volume per actinide atom only slightly higher than for a-Pu, it magnetic susceptibility is much higher than for a-Pu and exceeds even the d-Pu value. Similarly, the Sommerfeld coefficient g>40mJ/mol Pu K2 exceeds the experimental d-Pu value. The data confirm that the volume is not the primary control parameter affecting the situation around the Fermi level of common Pu phases and they point against the traditional belief that they are essentially narrow 5f band systems. Electronic structure calculations suggest that the 5f states of Pu have slightly lower occupancy comparing with d-Pu. A tendency to the 5f loca...

British Library Electronic Table of Contents (United Kingdom)

Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...

Energy Technology Data Exchange (ETDEWEB)

Culturing human prostate PC-3 cells for 4, 24, or 72 h in the presence of 5,8,11,14-eicosatetraynoic acid (ETYA), an inhibitor of arachidonic acid metabolism and cholesterol biosynthesis, markedly altered the morphology and reduced the number of mitochondria in the treated cells. Using quantitative electron microscopic morphometry, we documented changes in the number, form, area, matrix density, and integrity of the cristae and limiting membranes of mitochondria in cells cultured with ETYA. The inhibition of cholesterol synthesis or the substitution of ETYA for polyunsaturated fatty acids in the inner membrane may participate in the disruption of the mitochondria, which resembles the morphologic sequelae of oxidative stress. If sufficiently extensive, these changes could contribute to the inhibition of cellular proliferation by ETYA.

Energy Technology Data Exchange (ETDEWEB)

High-spatial-resolution microfocus-based X-ray imaging technology, both real-time and film, has been used to study the thickness variation that occurs in the oxide core of silver-sheathed BSCCO ribbons produced by the powder-in-tube method. This thickness variation (also called ``sausaging``) occurs during incremental rolling and degrades the critical current densities of the ribbons. Using X-ray image data the authors determined the onset and severity of sausaging. Onset occurred at a ribbon thickness of 203 {micro}m, and the severity increased with subsequent rolling reductions. Scanning electron microscopy was used to confirm the X-ray image data. X-ray imaging provides several advantages over more traditional methods for characterizing the superconductors such as optical or scanning electron microscopy. The X-ray imaging provides nondestructive information about the entire width of the ribbon, with far greater speed, ...

Energy Technology Data Exchange (ETDEWEB)

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 references, 6 figures, 3 tables.

International Nuclear Information System (INIS)

We report ab initio calculations of positron wave functions in the high-T/sub c/ superconductors YBa_2Cu_3O_7, Bi_2Sr_2CaCu_2O_8, and Tl_2Ba_2CaCu_2O_8 using the general potential linearized augmented plane-wave method. The calculated positron wave functions are fairly insensitive to whether or not electron-positron correlation is included in the calculation for YBa_2Cu_3O_7 and Tl_2Ba_2CaCu_2O_8, but the calculated positron density is quite sensitive to correlation in Bi_2Sr_2CaCu_2O_8. While the positron wave function samples primarily the chain region in YBa_2Cu_3O_7, the results indicate that positrons should be good probes of the Cu-O layer-derived electronic states near the Fermi energy in Tl_2Ba_2CaCu_2O_8 since a large overlap with these states is predicted.

International Nuclear Information System (INIS)

Within the framework of a study on the chemical wear behaviour of sialon ceramics a range of compositions were prepared in which the alumina content was varied from 6 to 77 weight percent. The materials were hot-pressed from alumina and silicon nitride powders to a density of at least 97%. The structure and compositions of the phases occurring in these samples i.e. the O' phase, #beta#'-sialon solid solution and especially the X-phase were thoroughly characterized with respect to structure and composition using electron microprobe and transmission electron microscopy techniques. These results will be discussed in the light of earlier phase diagram studies. Some basic properties such as E-modulus and toughness were measured and related to microstructural features. E-modulus as well as toughness are at a minimum for materials with a high content of the X-phase. Oxidation of the materials was studied at 1300 deg C and 1450 deg ...

International Nuclear Information System (INIS)

In the microwave tokamak experiment (MTX) program, we are concentrating on experiments using intense, free-electron laser (FEL) generated microwave pulses. In initial FEL experiments, several diagnostic instruments were operated during injection of microwave pulses with peak powers to 0.2 GW at durations of 10 ns. Fixed and spatially scanning microwave detectors and receivers and a 48-element calorimeter on the inside wall of MTX diagnosed the GW-level FEL microwave pulses. With these diagnostics, linear-wave absorption and efficiencies of transmission through the quasi-optical transport system were studied. In addition, several radially resolved measurements of plasma density, temperature, and emission were made during FEL injection and were used in the analysis of microwave absorption data. A timing system, slaved to the FEL pulse arrival time, is capable of accuracy to a few nanoseconds in order to allow measurement of heating effects on the ...

International Nuclear Information System (INIS)

We report on the possibility to prepare ZnSe porous layers with different degrees of porosity by means of electrochemical methods. The prepared porous structures were characterized using scanning electron microscopy (SEM), photoluminescence (PL) and cathodoluminescence (CL) techniques. The PL of the as-grown material and porous layers measured at low temperatures (10 K) was found to be dominated by an emission band at 2.796 eV as well as a band at 2.700 eV with several phonon replicas. The analysis of the dependence of these bands upon the excitation power density and temperature suggests that free-to-bound and respectively donor-acceptor electron transitions are responsible for the emission bands involved. The comparison of SEM and CL images taken from the same porous regions demonstrated that cathodoluminescence intensity from layers with small characteristic sizes of the porous entities (around 50 nm) is weaker than that ...

Energy Technology Data Exchange (ETDEWEB)

Chromium electroplated AISI 316L stainless steel was nitrided using inductively coupled plasma (ICP) for application in the bipolar plate of a polymer electrolyte membrane fuel cell (PEMFC). A continuous and thin chromium nitride layer was formed at the surface of the samples after ICP nitriding for 2 h at 400 C. The interfacial contact resistance (ICR) and corrosion resistance in simulated PEMFC operating conditions were higher than the required values, while they varied with the applied dc bias voltage during the nitriding process. The ICR value decreased with an increase in bias voltage. Potentiodynamic polarization measurements showed that all of the nitrided samples had excellent corrosion resistance with a current density of {proportional_to}10{sup -7} A cm{sup -2} at the cathode. It was also found that the oxygen content at the surface was not increased after the corrosion test. X-ray diffractometry (XRD), field emission scanning ...

International Nuclear Information System (INIS)

Cu"2"+ ions are alternatively bridged by end-on and asymmetrical end-to-end (EE) azido groups in copper (II)-azido compound [#left brace#Cu(L)(N_3)_2#right brace#_n] (L=benzylamine). The electronic structure of its ferromagnetic ground state has been calculated using the self-consistent full-potential linearized augmented plane wave method based on the density functional theory. The spin populations have been found to be strongly positive on the Cu"2"+ ions, weakly positive on the terminal nitrogen atoms of the azido groups as well as on the nitrogen atoms of the benzylamine, and feeble on the central nitrogen atoms of the azido groups. Based on the spin distribution obtained from calculation, the ferromagnetic coupling through the azido groups has been analyzed as resulting from a spin delocalization from the Cu"2"+ ions toward the azido groups. But the result also indicates that the spin polarization effect may also take part in the magnetic ...

International Nuclear Information System (INIS)

The growth of epitaxial MnO(100) and MnO(111) layers on Pd(100) surface has been investigated by spot-profile analysis low-energy electron diffraction, dynamic atomic force microscopy, photoemission and high-resolution electron energy loss spectroscopy, and density functional theory. We have found that despite the large lattice mismatch to the Pd(100) substrate, the MnO(100) layers are kinetically stabilized at low temperatures (?350 deg. C) and at oxygen pressures between 2x10-7 and 5x10-7 mbar. Annealing in ultrahigh vacuum at 650 deg. C or, alternatively, deposition of manganese metal in oxygen pressure -7 mbar causes the transformation of the MnO(100) to a polar MnO(111) surface, which is decorated by triangular pyramids with (100) side facets. It is suggested that the growth of MnO(111) layers is energetically preferred over MnO(100) due to the epitaxial stabilization at the metal-oxide interface.

Energy Technology Data Exchange (ETDEWEB)

Semiconducting properties of passive films formed on AISI 304 stainless steel grade were investigated by capacitances measurements in chloride containing aqueous solutions for different surface finishes: BA (bright annealing in hydrogen containing atmospheres) and 2B (standard annealing in oxidising atmospheres followed by pickling in acid, then water rinsing). Mott-Schottky analysis shows that for high enough electrode potential, and whatever the surface finish, the films behave like n-type semiconductors. 2B passive film appears to be more donor-doped than BA one and the density of donor states increases with chloride concentration. The electron donor levels are assumed to be generated by negatively charged cations vacancies produced by the chloride ions reaction with the outer passive film. This reaction looks easier for 2B than BA condition, which explains why BA resists better than 2B to pit nucleation.

International Nuclear Information System (INIS)

Electron probe microanalysis (EPMA) offers high sensitivity and high accuracy in quantitative measurements of chemical compositions and mass coverages. Owing to the low detection limits of the wavelength-dispersive technique, monolayers with mass coverages of about 0.05 pg cm z can be detected. Assuming a density of 5 g cm--3 this corresponds to a thickness of 0.1 nm. With these advantages in mind, EPMA was extended to depth profile analysis in the sub-micron range using a surface removal technique. The present paper shows how depth profile analysis can be improved by combining EPMA and the focused ion beam (FIB) technique. The focused ion beam system uses a Ga+ ion beam. The ion beam allows the milling of defined geometries on the nanometer scale, so that very shallow bevels with exactly defined angles in relation to the surface can be obtained. Low surface damage is expected due to low sputtering effects. Calibrated WDX measurements along the ...

Energy Technology Data Exchange (ETDEWEB)

The composition of sputter-deposited HgS films was determined by electron microprobe analysis. From the relative x-ray intensity as a function of film thickness, the depth of the ionizations that produce SK sub(..cap alpha..) and HgM sub(..cap alpha..) was found to be approximately 0.65 ..mu..m at an accelerating voltage of 15 kV. This value agreed well with a value calculated from Castaings' empirical law after absorption correction. The determination of film composition was limited to sufficiently thicker films than this critical value, usually 1 - 2 ..mu..m thick. The relation between the conposition of bulk standard determined by chemical analysis and the x-ray intensity ratio was used for the correction of film composition. The results showed that the crystal structure of HgS films was independent of the composition, i.e., the growth of metastable ..beta..-HgS films was not caused by the nonstoichiometry, and that the composition of ..cap alpha..-HgS ...

International Nuclear Information System (INIS)

The calculation of electronn beam dose using an algorithms similar to convolution/superposition methods for photon beams [1,2,3,4] is explored. The distribution of dose deposited by a number of monoenergetic, point-monodirectional electron pencil beams is first determined using the Monte Carlo method [5,6]. These elementary distributions are combined to model distributions that would result from the spectrum of incident energies and angles [6,7] present in a clinical beam. These modified distributions are then stored for use as kernels in the dose calculation. In the case of a homogeneous phantom, the relative fluence distribution is convolved with the stored kernels to obtain thhe dose distributions in 3 dimensions. Since the kernels cannot be assumed to be spatially invariant in a heterogeneous water-like phantom, the dose deposited on paths from the interaction site to all the dose deposition sites is approximated by scaling the kernels to reflect the average ...

Energy Technology Data Exchange (ETDEWEB)

Plasma neutralization of an intense ion pulse is of interest for many applications, including plasma lenses, heavy ion fusion, cosmic ray propagation, etc. An analytical electron fluid model has been developed based on the assumption of long charge bunches (l{sub b} >> r{sub b}). Theoretical predictions are compared with the results of calculations utilizing a particle-in-cell (PIC) code. The cold electron fluid results agree well with the PIC simulations for ion beam propagation through a background plasma. The analytical predictions for the degree of ion beam charge and current neutralization also agree well with the results of the numerical simulations. The model predicts very good charge neutralization (>99%) during quasi-steady-state propagation, provided the beam pulse duration {tau}{sub b} is much longer than the electron plasma period 2{pi}/{omega}{sub p}, where {omega}{sub p} = (4{pi}e{sup ...

Energy Technology Data Exchange (ETDEWEB)

The Helium and Lead Observatory (HALO) is a supernova neutrino detector under development for construction at SNOLAB. It is intended to fulfill a niche as a long term, low cost, high livetime, and low maintenance, dedicated supernova detector. It will be constructed from 80 tonnes of lead, from the decommissioning of the Deep River Cosmic Ray Station, and instrumented with approximately 384 meters of {sup 3}He neutron detectors from the final phase of the SNO experiment. Charged- and Neutral-Current neutrino interactions in lead expel neutrons from the lead nuclei making a burst of detected neutrons the signature for the detection of a supernova. Existing neutrino detectors are mostly of the water Cerenkov and liquid scintillator types, which are primarily sensitive to electron anti-neutrinos via charged-current interactions on the hydrogen nuclei in these materials. By contrast, the large neutron excess of a heavy nucleus like Pb acts to Pauli-block p)n ...

Science.gov (United States)

This site explains how temperature, pressure, and salinity work together to determine the density of ocean water. The three density layers of the ocean are described by means of text description and a graphic illustration.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Spherical {beta}-Ni(OH){sub 2} was modified by a low-cost method of normal ball milling (NBM), and the physical properties of both ball-milled and un-milled Ni(OH){sub 2} were characterized by transmission electron microscopy, specific surface area, particle size distribution and X-ray diffraction. It was found that NBM could obviously increase the surface area, decrease the particle and crystallite size, and reduce the crystallinity of {beta}-Ni(OH){sub 2}, which were advantageous to the improvement of the electrochemical activity of Ni(OH){sub 2}. NBM also lowered the packing density and flowability of Ni(OH){sub 2}, as revealed by the measurements of tapping density and angle of repose. Electrochemical performances of pasted nickel electrodes with an addition of ball-milled Ni(OH){sub 2} to spherical Ni(OH){sub 2} as the active material were investigated, and were compared with those of the pure spherical Ni(OH){sub 2} ...

International Nuclear Information System (INIS)

Results of self-consistent local-spin-density-functional calculations are reported for the first time for the Ni(110) surface, represented by one-, three-, and five-layer slabs. Calculations for one- and five-layer slabs of Ni(100) are also reported. The behavior of the surface magnetization with varying slab thickness elucidates the nature and origin of the surface magnetic moment. We predict a 13% enhancement of the Ni(110) surface magnetic moment compared to the bulk value. For the Ni(100) surface, we find a smaller surface enhancement about 7%, compared to bulk, which agrees with the results of Jepsen et al. The enhancement of surface magnetic moments on Ni(100) and Ni(110) surfaces is attributed to s-d dehybridization at the surface and to the presence of electrostatic shifts required to maintain layer-by-layer charge neutrality. We find that the total d-electron charge is the same in each layer, which contradicts the sp-to-d charge ...

International Nuclear Information System (INIS)

We studied the epitaxial growth of iron silicide (#epsilon#-FeSi,#beta#-FeSi_2, and #alpha#-FeSi_2) nanodots on Si (111) substrates by Fe deposition on Si nanodots on Si (111) substrates with ultrathin Si oxide films using reflection high-energy electron diffraction, scanning tunneling microscopy, and transmission electron microscope (TEM). We formed almost single phase iron silicide nanodots by controlling the Fe deposition conditions; growth temperature, deposition rate, and amount. The #epsilon#-FeSi or #alpha#-FeSi_2 nanodots were epitaxially grown in a dome shape with an average size of #approx#5 nm and an ultrahigh density (>10"1"2 cm"-"2) on the surface. We formed #approx#2-nm high and #approx#8-nm wide #beta#-FeSi_2 nanodots in a dome shape with a density of #approx#5x10"1"1 cm"-"2 on the surface. Cross-sectional TEM images revealed that the #beta#-FeSi_2 growth continued beneath the Si ...

Energy Technology Data Exchange (ETDEWEB)

Development of electronic devices with better performance and smaller size requires the passive components to be embedded within a printed wire board (PWB). The 'film-on-foil' approach is the most viable method for embedding these components within a PWB. We have deposited high-permittivity ferroelectric lead lanthanum zirconate titanate (Pb{sub 0.92}La{sub 0.08}Zr{sub 0.52}Ti{sub 0.48}O{sub x}, PLZT 8/52/48) films on base metal foils by chemical solution deposition. These prefabricated capacitor sheets can be embedded into PWBs for power electronic applications. To eliminate the parasitic effect caused by the formation of a low-permittivity interfacial oxide, a conductive buffer layer of lanthanum nickel oxide (LNO) was applied by chemical solution deposition on nickel foil before the deposition of PLZT. With a {approx} 0.7-{micro}m-thick ferroelectric PLZT film grown on LNO-buffered nickel foil, we measured capacitance ...

Energy Technology Data Exchange (ETDEWEB)

The contaminants that are potentially present in the coal-derived gas stream and their thermochemical nature are discussed. Accelerated testing was carried out on Ni-YSZ/YSZ/LSM solid oxide fuel cells (YSZ: yttria stabilized zirconia and LSM: lanthanum strontium manganese oxide) for eight main kind of contaminants: CH{sub 3}Cl, HCl, As, P, Zn, Hg, Cd and Sb at the temperature range of 750-850 C. The As and P species, at 10 and 35 ppm, respectively, resulted in severe power density degradation at temperatures 800 C and below. SEM and EDX analysis indicated that As attacked the Ni region of the anode surface and the Ni current collector, caused the break of the current collector and the eventual cell failure at 800 C. The phosphorous containing species were found in the bulk of the anode, they were segregated and formed ''grain boundary'' like phases separating large Ni patches. These species are presumably nickel ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

An essential issue in gallium (Ga)-stabilized fcc-phase plutonium ({delta}-Pu) is the formation of helium (He) voids and bubbles emanating from the radiolytic decay of the Pu. The rate of formation of He voids and bubbles is related to the He-defect formation energies and their associated migration barriers. The size and shape distributions of the bubbles are coupled to these critical migration processes. The values of the defect formation energies, internal pressure, and migration barriers can be estimated from atomistic calculations. Complicating this picture is the destruction of He-filled voids and bubbles by subsequent radiolytic decay events. The present study concerns the construction of the necessary potential energy surfaces for the Pu-He and He-He interactions within the modified embedded atom method (MEAM). Once fully tested, the potentials will be used to estimate the He-defect formation energies and barriers to the migration of these defects for both interstitial and ...

Science.gov (United States)

... 44 2. Luminance Power Spectral Density Measurements ..... 44 ... 50 4. Chrominance Power Spectral Density Measurements ..... 53 ...

J-STORE (Japan)

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