Energy Technology Data Exchange (ETDEWEB)

As the ground state potential curve is strongly related to spectral line shapes, the minumum position of the ground state potential is obtained from the experiemental absorption profile k({delta}{nu}, T) at high density of the radiating atoms. The temperature dependence of the absorption processes of Hg and Cd lines 253.65 and 326.1 nm, respectively perturbed by inert gases (Xe, Kr, Ar and Ne) had been carefully studied over a wide spectral range. Using the point of the maximum temperature dependence {delta}{nu} {sub m} in each case, we are able to calculate the position of the ground state potential R {sub m} using a simple formula.

CERN Document Server

We study from a critical perspective several quantum-electrodynamic phenomena commonly related to vacuum electromagnetic (EM) fluctuations in complex media. We compute the resonance-shift, the spontaneous emission rate, the local density of states and the van-der-Waals-Casimir pressure in a dielectric medium using a microscopic diagrammatic approach. We find, in agreement with some recent works, that these effects cannot be attributed to variations on the energy of the EM vacuum but to variations of the dielectric self-energy. This energy is the result of the interaction of the bare polarizability of the dielectric constituents with the EM fluctuations of an actually polarized vacuum. We have found an exact expression for the spectrum of these fluctuations in a statistically homogeneous dielectric. Those fluctuations turn out to be different to the ones of normal radiative modes. It is the latter that carry the zero-point-energy (ZPE). ...

Science.gov (United States)

... Compilation Part Notice ADP023645 TITLE: Filtered Density Function for Subgrid Scale Modeling of Turbulent Diffusion Flames ...

CERN Document Server

Full-Potential Electronic Structure Method

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Density changes in amorphous Pd{sub 80}Si{sub 20} during ion irradiation below 100K were detected by in situ HVEM measurements of the changes in specimen length as a function of ion fluence. A decrease in mass density as a function of the ion fluence was observed. The saturation value of the change in mass density was determined to be approximately -1.2%.

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 ...

CERN Document Server

Monopolar charge disorder effects are studied in the context of fluctuation-induced interactions between neutral dielectric slabs. It is shown that quenched bulk charge disorder gives rise to an additive contribution to the net interaction force which decays as the inverse distance between dielectric surfaces. This effect may thus completely mask the standard Casimir--van der Waals effect. By contrast, annealed (bulk or surface) charge disorder leads to a net interaction force whose large-distance behavior coincides with the universal Casimir force between perfect conductors, which scales as inverse cubic distance, and the dielectric properties enter only in subleading corrections.

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.

Science.gov (United States)

... Voltage noise power spectral density measurements as a function of temperature, frequency, current, and magnetic field on DyBa2Cu3O7.x (DBCO ...

British Library Electronic Table of Contents (United Kingdom)

The acoustic hyperlens can be realized by an alternating layered structure of water and fluid with negative mass density. Based on this alternating layered principle, we propose that an acoustic metamaterial consisting of three layers in water background can be designed to replace the fluid with negative mass density. The effective mass density and bulk modulus of the system which is composed of acoustic metamaterial and water are functions of the frequency. The effective mass density of such a system is close to the negative mass density of the fluid at a specific frequency; thus an acoustic metamaterial hyperlens can be achieved.

Energy Technology Data Exchange (ETDEWEB)

The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable orientation. The binding is strongest when the Al is oriented at 180{sup 0} to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated.

International Nuclear Information System (INIS)

The energy-versus-volume curve of the spin-density wave (SDW) in body-centred-cubic Cr is calculated with the density functional theory/full-potential linearized augmented plane wave (DFT/FLAPW) method using the generalized gradient approximation (GGA). The predicted ground state is not the SDW, in contrast to an earlier FLAPW calculation. A conjecture is formulated that the widely varying results of the local density approximation (LDA) and GGA - and of different solution methods - can be scaled by the size of the calculated moment. As a consequence, experimentally relevant properties of the SDW can be calculated by tuning the moment. The implications of these results for the ability of DFT to describe Cr are discussed. (author)

Energy Technology Data Exchange (ETDEWEB)

Molecular dynamics simulations have been carried out of the radial distribution function of the hard sphere fluid for a range of densities in the equilibrium fluid and just into the metastable region. The first derivative of the hard-sphere radial distribution function at contact was computed and its density dependence fitted to a simple analytic form. Comparisons were made with semi-empirical formulae from the literature, and of these the formula proposed by Tao et al (1992 Phys. Rev. A 46 8007) was found to be in best agreement with the simulation data, although it slightly underestimates the derivative at the higher packing fractions in excess of about 0.45. Close to contact, within a few per cent of the particle diameter, the radial distribution function can be represented well by a second order polynomial. An exponential function, which has some useful ...

International Nuclear Information System (INIS)

The compressive and torsional buckling behavior of carbon nanotube bundles at room temperature is examined with classical molecular dynamics simulation. The critical compressive load and stiffness of a single carbon nanotube in the bundle are found to be similar to those of individual carbon nanotubes. However, the critical torsional moment and stiffness of a single carbon nanotube in the bundle are found to be higher than those of individual carbon nanotubes. In addition, this study demonstrates that van der Waals interactions between the nanotubes in the bundle significantly affect the critical compressive load of the nanotube bundle.

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...

Energy Technology Data Exchange (ETDEWEB)

The validity is given to the newly proposed two weighting {delta}f scheme (Wang et al., Research Report of National Institute for Fusion Science NIFS-588, 1999) for collisional or neoclassical transport calculations, which can solve the drift kinetic equation taking account of effects of steep plasma gradients, large radial electric field, finite banana width, and the non-standard orbit topology near the axis. The marker density functions in weight equations are successively solved by using the idea of {delta}f method and a hierarchy of equations for weight and marker density functions is obtained. These hierarchy equations are solved by choosing an appropriate source function for each marker density. Thus the validity of the two weighting {delta}f scheme is mathematically proved. (author)

UK PubMed Central (United Kingdom)

Nucleic acids are molecules of choice for both established and emerging nanoscale technologies. These technologies benefit from large functional densities of ‘DNA processing elements’...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Densities were measured with a vibrating-tube densimeter for binary mixtures of dimethyl sulfoxide + thiophene at temperatures from 293.15 to 313.15 K as a function of composition. Molar excess volumes V[sup E] for the mixtures, determined from the density data, are negative and become more negative with an increase in temperature. The coefficients of thermal expansion were also evaluated from the temperature dependence of the density.

International Nuclear Information System (INIS)

Based on the single-particle levels given by Nilsson, the intrinsic and effective (with collective effects) level density parameters as a function of the excitation energy for the "1"8"6Os, "1'8"7Ir, "1"8"9Os and "1"9"3Au deformation nuclei have been calculated in the range of the excitation energy up to 150 MeV. The calculated fission probabilities P_f (U) are consistent satisfactorily with the experimental data when a nonadiabatic estimation of the collective effects was used to calculated the nuclear level density parameters.

CERN Document Server

RooStats is a project to create advanced statistical tools required for the analysis of LHC data, with emphasis on discoveries, confidence intervals, and combined measurements. The idea is to provide the major statistical techniques as a set of C++ classes with coherent interfaces, which can be used on arbitrary model and datasets in a common way. The classes are built on top of RooFit, which provides a very convenient functionality for modeling the probability density functions or the likelihood functions, required as inputs for any statistical technique. Furthermore, RooFit provides the functionality for easily creating models, for analysis combination and for digital publication of the likelihood function and the data. We will present in detail the design and the implementation of the different statistical methods of RooStats. These include various classes ...

CERN Document Server

Generalized functions

Energy Technology Data Exchange (ETDEWEB)

We have studied the vibrational properties of the filled tetrahedral semiconductor LiMgAs and its binary analog AlAs by using the plane-wave pseudopotential method within density functional theory. The calculated lattice constants for the studied compounds are in good agreement with previous theoretical and experimental results. The phonon dispersion curves and phonon density of states are calculated by using density functional perturbation theory. The sound speeds in different directions are quantitatively similar in LiMgAs and AlAs. The assignment of the zone center modes to the relative motion of the atoms shows that the lower optic modes are due to the Mg-As pair vibrations, while for the upper ones the Li-Mg pair dominates, which is attributed to the smaller Mg atom mass. The longitudinal interatomic force constant of Mg-As is about 66% higher than that of Li-As, showing the ...

International Nuclear Information System (INIS)

This paper reports on a Level 1 PRA performed on the Omega West Reactor at Los Alamos National Laboratory. A Master Logic Diagram was used to identify possible initiating events. A chi-square distribution was used to quantify initiating event frequencies given that no initiating events have occurred in 30 years of OWR operation. The PRA results are presented as both probability density function and cumulative distribution function curves.

CERN Document Server

We demonstrate the use of a variational method to determine a quantitative lower bound on the rate of convergence of Markov Chain Monte Carlo (MCMC) algorithms as a function of the target density and proposal density. The bound relies on approximating the second largest eigenvalue in the spectrum of the MCMC operator using a variational principle and the approach is applicable to problems with continuous state spaces. We apply the method to one dimensional examples with Gaussian and quartic target densities, and we contrast the performance of the basic Metropolis-Hastings algorithms with a ``smart'' variant that incorporates gradient information into the trial moves. We find that the variational method agrees quite closely with numerical simulations. We also see that the smart MCMC algorithm often fails to converge geometrically in the tails of the target density except in the ...

Energy Technology Data Exchange (ETDEWEB)

Monte Carlo neutron transport methods can be used to verify the applicability of point kinetics for safety analysis of nuclear reactors. KENO-NR was used to obtain the transfer function of the Advanced Neutron Source reactor and the time delay between the core power production and the external detectors, a parameter of interest to the safety systems design. The good agreement between the Monte Carlo generated transfer function and the point kinetics transfer function validates that the uncommon ANS geometry does not preclude the use of point kinetics in the frequency range that was investigated. Various features of the power spectral densities also demonstrated the applicability of point kinetics. The time delay was obtained from the cross-power spectral density (CPSD) and is {approximately}15 ms. These analyses show that frequency analysis can be used experimentally to investigate ...

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.

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 ...

Energy Technology Data Exchange (ETDEWEB)

The primary charge separation in photosynthetic bacteria generates a dimeric bacteriochlorophyll (BChl) cation and a bacteriopheophytin (BPheo) anion which lie within close proximity of each other (approx. 10 A). The two radicals also lie within van der Waals contact on opposite sides of a lone BChl bridging molecule. Spectral changes in the red (Q/sub y/) band of the bridge BChls have been observed on picosecond time scales following excitation of the reaction center (RC) and have been variously attributed to the formation of a BChl anion, to a charge-transfer state, or to electrochromic effects. They present calculations here which suggest that electrochromic effects caused by the photogenerated cation and/or anion can rationalize the optical changes observed in the flash photolyses as well as in trapping experiments.

Science.gov (United States)

In a relativistic density-functional theory the importance of the transverse photon contribution to the exchange potential in the high-density regime is pointed out. A neutral atom /sup 92/U is studied and its orbital energies calculated in the present scheme are compared with previous calculations based on relativistic Hartree, Dirac-Slater, and Dirac-Fock schemes and with experimental values from (electron spectroscopy for chemical analysis) ESCA studies. The present scheme is also used to calculate the orbital and total energies of some highly stripped ions of the Li isoelectronic sequence which occur as impurities in controlled thermonuclear plasma. These energies are found to be in close agreement with more involved Dirac-Fock results. Also, the relativistic effects significantly increase in going from C/sup 3 +/ to W/sup 71 +/ because the electronic density reaches values for which relativistic effects become large.

International Nuclear Information System (INIS)

Fully relativistic full-potential density functional calculations with an all-electron linearized augmented plane wave plus local orbitals method have been performed to investigate the electronic and geometric structures of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of #delta#-Pu. For all chemisorption processes, the center adsorption site is found to be the most preferred site with chemisorption energies of 7.964, 7.665, and 8.335 eV for the C, N, and O adatoms, respectively. The respective optimized distances of the C, N, and O adatoms from the surface were found to be 0.26, 0.35, and 0.48 A. The work functions and the net magnet moments, respectively, increased and decreased in all cases compared with the bare #delta#-Pu (1 0 0) surface. In particular, the work function shift is largest for the least preferred top site and lowest for the most preferred center site. A ...

Energy Technology Data Exchange (ETDEWEB)

The bath of a manganese sulfate (BMS) is a system for absolute standardization of the neutron sources. This work establishes a functional relationship based on semi-empirical methods for the theoretical prediction of physical density values, concentration and rate between the hydrogen and manganese atoms presents in the solution of the BMS

Energy Technology Data Exchange (ETDEWEB)

The interfaces between metal electrodes and electroactive organic materials are important for the performance of organic electronic devices. One way of optimizing the anode/organic interface is the insertion of a (sub-)monolayer of molecular acceptors. Here we present an UPS study of new electron acceptor molecules deposited on Au(111), Cu(111) and Ag(111). This study intends to improve the understanding of how the interactions of specific electron withdrawing groups with metal surfaces are correlated with observed modifications of interfacial electron density distribution, work function change ({delta}{phi}), and the energy level alignment. We find that {delta}{phi}, which is the difference between the work function ({phi}) of the clean metal surface and {phi} after formation of a molecular monolayer, is a monotonic function of initial {phi} of the metal. Two different slopes were observed for ...

Science.gov (United States)

The deflagration-to-detonation transition of low density (0.88 g/cc) PETN during initiation by both an exploding bridgewire and laser driven source is being studied using both laser interferometry and streak photography. Cutback experiments using VISAR have confirmed a 1.0 mm run-distance to detonation in low density PETN powder. In a detonation system using a combination of low and high density powders, an apparent center of initiation (COI) analysis of streak data has yielded a surprisingly similar result. This data suggests that a compaction of low density powder to near theoretical maximum density (TMD) occurs before the onset of detonation, which is consistent with work done previously.^1 Additionally, data analysis shows that although function time increases significantly with decreasing firing voltage, the apparent COI changes very little. This indicates ...

International Nuclear Information System (INIS)

In support of Stockpile Stewardship activities, accelerated aging tests on a plutonium alloy enriched with 7.3 at.% of "2"3"8Pu is underway using dilatometry at 35, 50, and 65 deg. C and immersion density measurements of materials stored at 50 deg. C. Changes in density are expected from radiation damage in the lattice and helium in-growth. After 25 equivalent years of aging, the dilatometry data shows that the alloys at 35 deg. C have expanded in volume by 0.11-0.12% and have started to exhibit a near linear expansion behavior primarily caused by the helium accumulation. The average He-to-vacancy ratio from tested specimens was determined to be around 2.55. The model for the lattice damage and helium in-growth accurately represents the volume swelling at 35 deg. C. The density converted from the dilatometry corresponds well to the decreasing density trend of reference plutonium alloys as a ...

Energy Technology Data Exchange (ETDEWEB)

The slurry-Zn/air battery system has received renewed R and D interest because it does not have the shape-change problems of batteries with Zn-plate electrodes and can sustain higher current densities and specific peak power than other metal-air battery systems. Additional advantages of the slurry-Zn/air battery include safety, low environmental impact, potential low cost, and separation of energy density from power density functions for design purposes. In this work we present results obtained at the individual cell level as a basis to estimate the performance of a secondary slurry-Zn/air battery system. The expected specific energy of such systems has been increased as a result of the use of capacity-extension additives, which has been one of the major thrusts of this work. 8 refs., 20 figs., 5 tabs.

International Nuclear Information System (INIS)

A self-consistent pseudopotential method together with a mixed-basis set of plane waves and Gaussian orbitals are used to determine the electronic structure of the (001) surface of molybdenum. The pseudopotential is derived from a self-consistent calculation of the atomic levels and wave functions, and is tested for bulk molybdenum. The resulting bulk band structure and density of states are compared with existing augmented-plane-wave APW calculations. The same potential is applied to investigate the electronic structure of an uncontracted Mo (001) surface. A complete analysis of the surface states is given in terms of their distribution in the two-dimensional surface Brillouin zone, charge-density distribution, and the local density of states. The results are in very good agreement with recent photoemission measurements.

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.

International Nuclear Information System (INIS)

We present a new aspect of superconductivity in A-15 compounds which is able to explain their exceptional role among the high Tc superconductors. The basic idea is that a strong energy dependence of the the electronic density of states near the Fermi level may greatly reduce the repulsive part of the frequency dependent electron-phonon interaction. This leads to a large enhancement of Tc which is a maximum when the Fermi energy is comparable to a typical phonon energy. Our findings are based on numerical solutions of the Eliashberg equations where both the retardation of the electron-phonon coupling and the energy dependence of the electronic density of states have been included. For the electronic density of states we use the models of Labbe and Friedel and of Cohen et al., while the shape of the Eliashberg function #alpha#"2F(#omega#) is taken from the tunneling results of Shen. We compare our theory ...

British Library Electronic Table of Contents (United Kingdom)

A novel difunctional acylhydrazone has been synthesized by the reaction of 5-methylisoxazole-4-carboyl hydrazine with benzaldehyde and characterized by X-ray crystallography and spectroscopy. The obtained results demonstrate the crystal belongs to triclinic, space group Formula Not Shown . Moreover, the spectroscopic properties were evaluated through density functional theory (DFT) and time-dependent density functional theory (TD DFT) calculations. The results reveal that UV-Vis absorption peaks at 194, 217.5 and 290.5nm are mainly attributed to (p, p)p*, partly (p, p)p* and partly pp*, and predominantly pp*, respectively, with intraligand charge-transfer transition (ILCT) character. The fluorescence emission peak at 485.96nm should be assigned to ILCT. In addition, the results of antibact...

British Library Electronic Table of Contents (United Kingdom)

Abstract Hydrogen bonding interactions between amino acids and nucleic acid bases constitute the most important interactions responsible for the specificity of protein binding. In this study, complexes formed by hydrogen bonding interactions between cysteine and thymine have been studied by density functional theory. The relevant geometries, energies, and IR characteristics of hydrogen bonds (H-bonds) have been systematically investigated. The quantum theory of atoms in molecule and natural bond orbital analysis have also been applied to understand the nature of the hydrogen bonding interactions in complexes. More than 10 kinds of H-bonds including intra- and intermolecular H-bonds have been found in complexes. Most of intermolecular H-bonds involve O (or N) atom as H-acceptor, whereas the...

CERN Document Server

We study the evolution of the cold gas content of galaxies by splitting the interstellar medium into its atomic and molecular hydrogen components, using the galaxy formation model GALFORM in the LCDM framework. We calculate the molecular-to-atomic hydrogen mass ratio, H2/HI, in each galaxy using two different approaches; the pressure-based empirical relation of Blitz & Rosolowsky and the theoretical model of Krumholz, McKeee & Tumlinson, and apply them to consistently calculate the star formation rates of galaxies. We find that the model based on the Blitz & Rosolowsky law predicts an HI mass function, CO(1-0) luminosity function, correlations between the H2/HI ratio and stellar and cold gas mass, and infrared-CO luminosity relation in good agreement with local and high redshift observations. The HI mass function evolves weakly with redshift, with the number density of high mass galaxies ...

International Nuclear Information System (INIS)

CT is the most accurate method to detect pulmonary emphysema in vivo. They compared prospectively two different methods for emphysema quantitation in 5 normal volunteers and 20 consecutive patients with chronic obstructive pulmonary disease (COPD). All subjects were submitted to function tests and HRCT; three scans were acquired at preselected levels during inspiration. The type and extent of pulmonary emphysema were defined by two independent observers under blind conditions. Disagreements were subsequently settled by consent. All subjects were also examined with expiratory spiral CT using a density mask program, at two different cut-off levels (-850,-900 HU). Visual score and expiratory spiral density mask values (-850 HU) were significantly correlated (r = 0.86), but the visual extent of emphysema was always higher than shown by expiratory spiral CT. The emphysema extent assessed with both CT methods correlated with the ...

International Nuclear Information System (INIS)

This study describes the formulations to optimize the time interval of inspections and/or replacements of equipment/parts taking into account the probability density functions (PDF) for failure rates and parameters of failure distribution functions (FDF) and evaluates the optimized results of these time intervals using our formulations by comparing with those using only representative values of failure rates and the parameters of FDF instead of using these PDFs. The PDFs are obtained with Bayesian method and the representative values are obtained with likelihood estimation method. However, any significant difference is not observed between both optimized results within our preliminary calculations. (author)

International Nuclear Information System (INIS)

It is shown that the extended softening in k space of the [111] transverse acoustic phonon in Nb_3Sn seen recently by neutron measurements is in agreement with the predictions of a phenomenological Landau description of the structural phase transition in the A-15 compounds. This indicates the feasibility of a calculation of the partial phonon density of states of modes directly coupled to the order parameter driving the structural transition, as a function of temperature.

Energy Technology Data Exchange (ETDEWEB)

Tunneling spectroscopy of normal-insulator-superconductor junction is investigated theoretically. In anisotropic superconductors, differently from the case of isotropic superconductor, the effective pair potentials felt by quasiparticles depend on the direction of their motion. By taking this effect into account, it is shown that the conductance spectra strongly depend on the crystal orientation. Using Green`s function method, local density of states (LDOS) in superconductor is also calculated. The close relation between conductance spectra and LDOS is presented. The calculation is compared with experimental spectra of high-{Tc} superconductors.

International Nuclear Information System (INIS)

The thermal conductivity of steam has been measured as a function of temperature from 100 deg C to 515 deg C and pressure up to 500 bar using the coaxial cylinder method. Corrections to the apparent thermal conductivity data are detailed. Correlations of the thermal conductivity coefficients are given in terms of temperature and density.

International Nuclear Information System (INIS)

The defect-induced effect on superconducting transition temperature T_c of A-15 compounds is examined. T_c is found from the Eliashberg equations which take into account the defect-induced changes in the electron-phonon spectral function and electron density of states. The dependence of T_c on the defect type in the superconductor is obtained.

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.

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.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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.

Energy Technology Data Exchange (ETDEWEB)

The pitting behavior of Alloy 800 was investigated as a function of temperature and prefilming in high temperature water. The pitting behavior was characterized in terms of the pitting potential and the pit density. The pitting potential decreases with increasing temperature and chloride activity. Prefilming of test coupons over a time period between 100 and 5,000 hours in ammoniated water at 300 C has no apparent influence on the pitting potential at room temperature, 180 C and 300 C. However, the number of pits in prefilmed coupons is much higher than in coupons covered with an air passive layer. The effect of prefilming on pit nucleation was investigated in more detail with regard to a model and test methods developed by Bianchi and co-workers. Density of pits in prefilmed coupons is at least one order of magnitude higher than in air passive coupons. Maximum pit density was measured after a ...

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A procedure and software have been developed to transform the area distribution of the residual surface heights available from the measurement with the Micromap interferometric microscope into a two-dimensional (2D) power spectral density (PSD) distribution of the surface height. The procedure incorporates correction of one of the spectral distortions of the PSD measurement. The distortion appears as a shape difference between the tangential and sagittal PSD spectra deduced from the 2D PSD distribution for an isotropic surface. A detailed investigation of the origin of the anisotropy was performed, and a mathematical model was developed and used to correct the distortion. The correction employs a modulation transfer function (MTF) of the detector deduced analytically based on an experimentally confirmed assumption about the origin of the anisotropy due to the asymmetry of the read-out process of the instrument's CCD camera. The ...

Energy Technology Data Exchange (ETDEWEB)

The capacity extension of additives was tested in a 200 cm/sup 2/bi-cell and a Zn powder moving-bed slurry. It was found that for the Type A additives in 12 M KOH, 25 g/l of silicate provided higher capacity than stannate, titanate and aluminate additives. The optimum concentration of sorbitol (a Type B additive that stabilizes polymeric chains involving ZnO) was found to be 15 g/l in 12 M KOH. A silicate and sorbitol combination added to Zn powder slurry in 12 M KOH provided a 20% increase in discharge capacity (195 Ah/l at 200 A/cm/sup 2/) compared to the maximum capacity obtained with silicate alone. A much lower capacity (74 Ah/l) was realized with silicate as Type C additive (precipitation of ZnO away from the Zn surface, for low KOH concentrations). The mechanisms of passivation and capacity extension were discussed and a model presented. The cell voltage and power densities were determined for the discharge process as a function of (a) ...

International Nuclear Information System (INIS)

The classical theory of collisional broadening and shift parameters (?, ?) of an isolated spectral line was used to obtain simple analytical formulas for calculating both ? and ?. These formulas were obtained on the assumption that the short range interaction is effective only in the broadening while the long range is effective in the shift of the spectral line. These parameters ? and ? depend on the limiting phase shifts responsible for broadening ?b and shift ??. It was found that the values of ?b and ?? are not equal to each other as was proposed by Weisskopf ?b=??=1. The maximum and average values of ?b (?bmax, ?bav) and ?? (??max, ??av) were obtained by numerical evaluation, using different inverse power potentials. By introducing these parameters into the approximated formulas for ? and ? using Van der Waals and Lennard-Jones potential, it was found that the results of calculations for (? and ?) with different atomic transitions perturbed by different inert ...

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

British Library Electronic Table of Contents (United Kingdom)

We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954 eV for Mg. We report the geo...

British Library Electronic Table of Contents (United Kingdom)

This paper presents a method to evaluate and improve the performance of quantum dot infrared photodetectors (QDIPs). We proposed a device model for QDIPs. The developed model accounts for the self-consistent potential distribution, features of the electron capture and transport in realistic QDIPs in dark and illumination conditions. This model taking the effect of donor charges on the spatial distribution of the electric potential in the QDIP active region. The model is used for the calculation of the dark current, photocurrent and detectivity as a function of the structural parameters such as applied voltage, doping QD density, QD layers, and temperature. It explains strong sensitivity of dark current to the density of QDs and the doping level of the active region. In order to confirm our...

Science.gov (United States)

It is shown that level-density expressions cannot adequately represent or substitute for level structure information when making calculations of the Hauser-Feshbach type for cross sections or isomer-ratios for nuclei in the first few MeV above their ground state. It is stated that such discrete level information should include both experimentally confirmed and theoretically predicted levels. The utility of discrete level information to optimize level density calculations, to compute isomer ratios, in deriving dipole strength functions, and in the analysis of primary gamma ray spectra is emphasized, especially for nuclei far from the line of stability. 29 refs., 12 figs., 6 tabs. (DWL)

CERN Document Server

An interesting line of research is the investigation of the laws of random variables known as Dirichlet means. However, there is not much information on interrelationships between different Dirichlet means. Here, we introduce two distributional operations, one of which consists of multiplying a mean functional by an independent beta random variable, the other being an operation involving an exponential change of measure. These operations identify relationships between different means and their densities. This allows one to use the often considerable analytic work on obtaining results for one Dirichlet mean to obtain results for an entire family of otherwise seemingly unrelated Dirichlet means. Additionally, it allows one to obtain explicit densities for the related class of random variables that have generalized gamma convolution distributions and the finite-dimensional distribution of their associated L\\'{e}vy processes. ...

International Nuclear Information System (INIS)

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

CERN Document Server

We study the structure of the medium surrounding sites of high-mass star formation to determine the interrelation between the HII regions and the environment from which they were formed. The density distribution of the surroundings is key in determining how the radiation of the newly formed stars interacts with the surrounds in a way that allows it to be used as a star formation tracer. We present new Herschel/SPIRE 250, 350 and 500 mum data of LHA 120-N44 and LHA 120-N63 in the LMC. We construct average spectral energy distributions (SEDs) for annuli centered on the IR bright part of the star formation sites. The annuli cover ~10-~100 pc. We use a phenomenological dust model to fit these SEDs to derive the dust column densities, characterise the incident radiation field and the abundance of polycyclic aromatic hydrocarbon molecules. We see a factor 5 decrease in the radiation field energy density as a ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Ozone production by synchrotron radiation as a function of power density in air was investigated using a white beam at the BNL National Synchrotron Light Source (NSLS) x-ray ring. Power densities were calculated from the energy spectrum at 2.52 GeV. Ozone concentrations in small beam pipes were measured for power densities between I = 10/sup 12/ and 10/sup 15/ eV/sup . /cm/sup -3 . /sec/sup -1/. The measured ozone half-life was 37+-2 min. The measured G-value was 2.69+-0.14 mol/100 eV and the ozone destruction factor k was less than 5 x 10/sup -19/cm/sup 3//eV. The random uncertainties stated are approximately one standard error. The large departure of the values for G and k from previous values suggest that some undiscovered systematic error may exist in the experiment. Ozone concentration in excess of the 0.1 ppm ACGIH TLV can be generated in the experimental hutches but can readily be controlled. ...

International Nuclear Information System (INIS)

The static thermodynamic properties of the molten salt system like LiF-NaF-BeF_2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 15%LiF-58%NaF-27%BeF_2, over the temperature range of 873.15K to 1073.15K at one atmosphere pressure, is described using Peng-Robinson equation modified by us. And the density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermodynamic properties such as the enthalpy, entropy and heat capacity at constant pressure are estimated by the residual function method and the fugacity coefficient method respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated by such ...

International Nuclear Information System (INIS)

A model for coherent fluctuations of the nuclear density including all nucleons in the fluctuation movement is formulated. The wave function of the flucton satisfies a Schroedinger-type equation in which the role of potential energy is played by the energy of the nuclear matter for the A nucleons. The appearance of high-momentum components in the one-particle momentum distribution is related to the volume fluctuations of the density. These fluctuations are supposed to be of coherent nature, i.e. all nucleons are involved in the motion. An explicit expression for the momentum distribution of the nucleons in "1"2C and "1"8"1Ta nuclei is obtained and compared with the phenomenological momentum distribution as well as with the results given by the model of a non-relativistic harmonic oscillator and by the Dirac equation in the self-consistent model. The differential cross-section of 1 GeV proton scattering by the "2"8Si, "3"2S, ...

International Nuclear Information System (INIS)

The measurement of physiological parameters in man is possible with the help of positron emission tomography (PET) and radiopharmaceuticals labeled with short lived positron emitters as C 11, N 13, O 15 and F 18. With the use of this substances it is possible to make a tomographic map defining regional metabolic parameters in normal and diseased brain. This technique has therefore also be named 'in vivo autoradiography'. The possibility of applying C 11 or F 18 labeled deoxyglucose with PET for detecting regional and local changes in cerebral metabolic rate of glucose in brain development in children of 5 days to 1 year of age is discussed. Beyond this a relationship between cerebral metabolic rate of glucose, cerebral blood flow and cerebral metabolic rate of oxygen by use of this technique after inhalation of O 15 and C 11-labeled CO_2 is shown. Attention is drawn to the application of C 11-methyl-spiperone and PET to visualize dopamine receptor density in the ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The consistency of different instruments and methods for measuring two-dimensional (2D) power spectral density (PSD) distributions are investigated. The instruments are an interferometric microscope, an atomic force microscope (AFM) and the X-ray Reflectivity and Scattering experimental facility, all available at Lawrence Berkeley National Laboratory. The measurements were performed with a gold-coated mirror with a highly polished stainless steel substrate. It was shown that these three techniques provide essentially consistent results. For the stainless steel mirror, an envelope over all measured PSD distributions can be described with an inverse power-law PSD function. It is also shown that the measurements can be corrected for the specific spatial frequency dependent systematic errors of the instruments. The AFM and the X-ray scattering measurements were used to determine the modulation transfer function of the ...

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...

CERN Document Server

Peculiar velocities induce apparent line of sight displacements of galaxies in redshift space, distorting the pattern of clustering in the radial versus transverse directions. On large scales, the amplitude of the distortion yields a measure of the dimensionless linear growth rate \\ff of fluctuations, which is related to the cosmological density \\Omega and the linear bias factor b in linearly biassed standard cosmology by \\ff \\approx \\Omega^{0.6} /b. To make the maximum statistical use of the data in a wide angle redshift survey, and for the greatest accuracy, the spherical character of the distortion needs to be treated properly, rather than in the simpler plane parallel approximation. In the linear regime, the redshift space correlation function is described by a spherical distortion operator acting on the true correlation function. It is pointed out here that there exists an operator, which is essentially the ...

British Library Electronic Table of Contents (United Kingdom)

Abstract A critical aspect of reestablishing a self-sustaining Jarrah (Eucalyptus marginata) forest ecosystem to bauxite-mined areas is to ensure that vital ecosystem functions such as litter decomposition and nutrient cycling are returned. Significant research has been undertaken over the past 20 years relating to litter decomposition and nutrient cycling. Studies have shown that litter accumulates rapidly in restored areas (1-4 ton ha-1 yr-1) and the accumulated litter tends to be richer in nitrogen due to intentionally elevated densities of nitrogen-fixing species. This leads to a lower (carbon:nitrogen) C:N ratio (60:1 compared to 130:1 in unmined forest) that may promote mineralization of organic N to inorganic forms in restored areas. The major nutrient store in the unmined forest is...

British Library Electronic Table of Contents (United Kingdom)

There is a thermal range for the operation of neural circuits beyond which nervous system function is compromised. Locusta migratoria is native to the semiarid regions of the world and provides an excellent model for studying neural phenomena. In this organism previous exposure to sublethal high temperatures (heat shock, HS) can protect neuronal function against future hyperthermia but, unlike many organisms, the profound physiological adaptations are not accompanied by a robust increase of Hsp70 transcript or protein in the nervous system. We compared Hsp70 increase following HS in the tissues of isolated and gregarious locusts to investigate the effect of population density. We also localized Hsp70 in the metathoracic ganglion (MTG) of gregarious locusts to determine if HS affects Hsp70 ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Modeling is performed for focused-ion-beam (FIB) sputtering and redeposition on trench sidewalls in a steady state approximation. Calculations are carried out to demonstrate the sputtered surface profile under known parameters such as sputtering yield as a function of ion incident angle, the FIB current density profile, and the FIB scan speed. It is found that a steplike slope with a gradient angle of #theta#_0 is formed at the FIB bombarding position. Furthermore, the redeposition flux on the sidewalls is calculated as a function of #theta#_0 for the FIB trench milling assuming the cosine law for the angular distribution of the sputtered atom. The redeposition will be more accurately predictable and controllable when more information about these assumptions is obtained.

British Library Electronic Table of Contents (United Kingdom)

Forced harmonic vibration of a non-uniform elastic beam with attached dynamic vibration absorbers (DVA) is studied. Analytical approximation of the solution is obtained by the functional perturbation method (FPM). The problem has application to cutting tools operations where the resistance of the tool holder against regenerative chatter can be enhanced by optimizing the real part of the frequency response function (FRF). A test case of a beam with step-like heterogeneity and single DVA at the tip shows that the FPM solution is very accurate for up to ?40 percent deviation in both stiffness and mass density. Using the analytical results and Sims approach, optimal DVA tuning is found for each set of beam heterogeneity parameters by solving a set of nonlinear algebraic equations numer...

Energy Technology Data Exchange (ETDEWEB)

Various measurement tools that are used in chaos theory were applied to analyze two-phase pressure signals with the objective of identifying and interpreting flow pattern transitions for two-phase flows in a small, horizontal rectangular channel. These measurement tools included power spectral density function, autocorrelation function, pseudo-phase-plane trajectory, Lyapunov exponent,s and fractal dimensions. It was demonstrated that the randomlike pressure fluctuations characteristic of two-phase flow in small rectangular channels are chaotic, and governed by a high-order deterministic system. The correlation dimension is potentially a new approach for identifying certain two-phase flow patterns and transitions.

CERN Document Server

Let H be a self-adjoint operator bounded below by 1, and let V be a small form perturbation such that RVS has finite norm, where R is the resolvent at zero to the power 1/2 +epsilon, and S is the resolvent to the power 1/2-epsilon. Here, epsilon lies between 0 and 1/2. If the Gibbs state defined by H is sufficiently regular, we show that the free energy is an analytic function of V in the sense of Frechet, and that the family of density operators defined in this way is an analytic manifold modelled on a Banach space.

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)

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Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.

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).

Science.gov (United States)

The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.

Energy Technology Data Exchange (ETDEWEB)

In the context of the shock-initiation problem, we study analytically the first effects of chemistry, treating a small chemical heat release as a perturbation on an inert flow. Specifically, we study the initial transient in plane-shock initiation in a dilute explosive, where the chemical energy is small relative to the mechanical-thermal energy. The vehicle for the study is the mathematical analog for reactive flow. The solution resembles a double refraction: to first order, the pressure or density is a superposition of two forward-going waves, both originating at the rear boundary, and carrying the same function, but running at different velocities. Surprisingly, this first-order solution is independent of the sensitivity of the reaction rate to the state, which appears only at second order.

International Nuclear Information System (INIS)

In order to understand the physical processes concerned with the selective heating by ion cyclotron resonance and with the subsequent collection of heated particles, experiments were carried out with the extraction of lithium samples, enriched with "6Li isotopes. Probe and integral extractors allow to collect enriched Li at the end of the selective heating region. Surface density distribution on the collector and local isotopic content of lithium are measured, as a function of the screen height and the retarding potential. Dependence of the collected amount of lithium and of its isotopic content on the value of the magnetic field is also measured. 4 figs., 2 tabs., 5 refs.

International Nuclear Information System (INIS)

Mo gate Mos capacitors exhibit a negative shift of their C-V characteristic by up to 240 mV, at 125 C, in response to 1000 ppm hydrogen, in controlled nitrogen atmospheres. The experimental methods for obtaining capacitance and conductance, as a function of polarisation voltage, as well as the relevant equivalent circuits are reviewed. The single-state interface state density, at the semiconductor-dielectric interface, decreases from 2.66 x 10"1"1 cm"-"2 e-v"-"1, in pure nitrogen, to 2.5 x 10"1"1 cm"-"2 e-v"-"1 in 1000 ppm hydrogen in nitrogen mixtures, at this temperature. (Author)

Energy Technology Data Exchange (ETDEWEB)

A versatile method for estimating the characteristics of radon transport in soil is developed. The method allows the following characteristics to be estimated: depth distribution function of the soil gas radon concentration, equilibrium radon concentration in the soil air, depth at which the radon concentration reaches its equilibrium value, radon flux density from the Earth's surface, and convective radon transport velocity. The method is based on soil gas radon concentration measurements and is appropriate in the case of relatively uniform geology. (orig.)

International Nuclear Information System (INIS)

We report on the transport properties of a high mobility two-dimensional hole system (2DHS) confined in GaAs/AlGaAs quantum wells grown by molecular-beam epitaxy on the (100) surface of GaAs. The quantum wells are modulation doped with carbon utilizing a resistive filament source. At T=0.3 K and carrier density p=1x10"1"1 cm"-"2, a mobility of 10"6 cm"2/Vs is achieved. At fixed carrier density p=10"1"1 cm"-"2, the mobility is found to be a nonmonotonic function of the quantum well width. The mobility peaks at 10"6 cm"2/Vs for a 15-nm well and is reduced for both smaller and larger well widths for these (100) samples. The mobility anisotropy is found to be small. Mobility along [011] is approximately 20% higher than along the [011] direction. In addition, the low-temperature carrier density is found to have low sensitivity to light. The hole density increases by only #approx#10% ...

Energy Technology Data Exchange (ETDEWEB)

The high energy limit of Quantum Chromodynamics is one of the most fascinating areas in the theory of strong interactions. Over a decade ago the HERA experiment at DESY in Hamburg provided strong evidence for the rise of the proton structure function at small values of the Bjorken variable x. This behavior can be explained as an increase of the gluon density of the proton with energy or correspondingly with smaller values of x. This increase can be attributed on the other hand to the large probability of gluon splitting in QCD. The natural framework for describing the gluon dynamics at small x is the Balitskii-Fadin-Kuraev-Lipatov formalism developed some 30 years ago. It predicts that the gluon density grows very fast with increasing energy, as a power with a large intercept. This increase has to be tamed in order to satisfy the unitarily bound. Over two decades ago, Gribov, Levin and Ryskin proposed the mechanism called ...

CERN Document Server

We study an exactly solvable model where an uniformly accelerated detector is linearly coupled to a massless scalar field initially in the Minkowski vacuum. Using the exact correlation functions we show that as soon as the coupling is switched on one can see information flowing from the detector to the field and propagating with the radiation into null infinity. By expressing the reduced density matrix of the detector in terms of the two-point functions, we calculate the purity function in the detector and study the evolution of quantum entanglement between the detector and the field. Only in the ultraweak coupling regime could some degree of recoherence in the detector appear at late times, but never in full restoration, as an earlier work seems to suggest. We explicitly show that under the most general conditions the detector never recovers its quantum coherence and the entanglement between the ...

International Nuclear Information System (INIS)

The purpose of this study is to determine the suitability of producing agro-fiber reinforced plastic composite (agro-FRPC) from rubber wood fiber blended in polypropylene matrix. The effects of varying fiber dimension and fiber content on the physical and mechanical properties of the composite were evaluated to provide an insight into the fiber matrix adhesion. The effects of reactive additives on the physical and mechanical properties of the composite were evaluated which provides the insight on the reinforcement of the composite. Rubber wood fiber used in this study is currently being used in the manufacturing of medium density fiber (MDF) board. Two sizes of rubber wood fiber were used i.e. 0.5-1.0 mm and 1.0-2.0 mm. Homopolymer polypropylene of MFI 14.0 was used as a matrix. The irradiation work was carried out using electron beam accelerator, 3.0 MeV, 3.0 mA. Various types of reactive additives (RA) with mono-functional, ...

International Nuclear Information System (INIS)

Using the activitation method (n,2n) excitation-functions were measured for "5"4Fe, "7"0Ge, "7"4Se, "8"5Rb, sup(86,88)Sr, "8"9Y, "9"2Mo, and "2"0"4Hg in the neutron-energy region 13-18 MeV. The results are checked for consistency by means of a systematic of (n,2n) cross-sections as a function of the nuclear neutron excess (N-Z)/A. Furthermore the data are compared with results from the statistical nuclear reactions theory which were calculated using optical model absorption cross-sections and the Fermi-gas-model formula for the nuclear level density. In the case of "2"0"4Hg the influence of preequilibrium nucleon emission was taken into account. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The temporal evolution of linear toroidal ion temperature gradient (ITG) modes is studied based on a kinetic integral equation including an initial condition. It is shown how to evaluate the analytic continuation of the integral kernel as a function of a complex-valued frequency, which is useful for analytical and numerical calculations of the asymptotic damping behavior of the ITG mode. In the presence of the toroidal {nabla}B-curvature drift, the temporal dependence of the density and potential perturbations consists of normal modes and a continuum mode, which correspond to contributions from poles and from an integral along a branch cut, respectively, of the Laplace-transformed potential function of the complex-valued frequency. The normal modes have exponential time dependence with frequencies and growth rates determined by the dispersion relation while the continuum mode, which has a ballooning structure, shows a power ...

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The hepatic artery chemoembolization with Lipiodol, doxorublicin. Gelfoam was performed in 14 mongrel dogs to evaluate embolic effect of these materials to normal liver parenchyma. Fourteen dogs were divided into four experimental groups according to the kinds of embolic materials. 3 dogs with 0.1ml/kg of Lipiodol (Group 1), 4 dogs with 0.1ml/kg of Lipiodol and 0.5mg/kg of doxorubicin (Group 2). 4 dogs with Lipiodol, doxorubicin and 150-300 pieces of 0.5 x 0.5cm sized Gelfoam (Group 3), 3 dogs with Gelfoam alone (Group 4). Follow-up liver function tests and liver CT were performed 1 day, 3 day, 1 week, 2 weeks and 3 weeks after embolization. Pathologic examination was performed 3 weeks after embolization. Lipiodol densities in group 1 were cleared 2 weeks after embolization, and in group 2, patch and nodular Lipiodol densities were changed to mottled and streaky densities 3 weeks after ...

International Nuclear Information System (INIS)

A series of Model Tests of Embedment Effect on Reactor Buildings has been carried out by the Nuclear Power Engineering Corporation (NUPEC), under the sponsorship of the Ministry of International Trade and Industry (MITI) of Japan. Reactor buildings in Japan are partially embedded in general. Therefore, it is important to know how partial embedment affects the vibration characteristics of reactor buildings relating to seismic safety. Laboratory tests were conducted using a ground model made of silicone rubber (Young's modulus 2.3x10"6 Pa, Poisson's ratio 0.484, Density 1.24x 10"3 kg/m3 , Damping ratio 0.01) and a foundation model made of aluminum shown to study the effects of embedment on soil-structure interaction with different backfill types. The ground model is a cylinder, 70 cm high and 300 cm in diameter, with pit where the parallelepiped foundation model with square plan of 30 cm x 30 cm and 18 cm high was placed. Four types of backfill of silicone rubber ...

International Nuclear Information System (INIS)

In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when treated using normconserving pseudopotentials (e.g. 2p-elements like oxygen or 3d-transitional metals like copper). In addition, a higher accuracy ...

Energy Technology Data Exchange (ETDEWEB)

The performance of a 6 kW proton exchange membrane (PEM) electrolyzer was modeled using a semiempirical equation. Total cell voltage was represented as a sum of the Nernst voltage, activation overpotential and ohmic overpotential. A temperature and pressure dependent Nernst potential, derived from thermodynamic principles, was used to model the 20 cell PEM electrolyzer stack. The importance of including the temperature dependence of various model components is clearly demonstrated. The reversible potential without the pressure effect decreases with increasing temperature in a linear fashion. The exchange current densities at both the electrodes and the membrane conductivity were the coefficients of the semiempirical equation. An experimental system designed around a 6 kW PEM electrolyzer was used to obtain the current-voltage characteristics at different stack temperatures. A nonlinear curve fitting method was employed to determine the equation coefficients from ...

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 difference for Cr, Mo, ...

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For an assessment of the future US spallation neutron source (SNS) target performance, radiation induced hardening and microstructural evolution were investigated as a function of ion dose for EC316LN stainless steel. Irradiation was carried out using 3.5 MeV Fe{sup +}, 360 keV He{sup +}, and 180 keV H{sup +} simultaneous ion-beams at 200 deg. C to simulate the damage, He and H production in the SNS target vessel wall. At low dose (< 1 dpa), the predominant defects were black dots whose number density saturated rapidly within a few dpa. This was followed by the evolution of interstitial loops whose number density saturated below 15 dpa. Although He-bubbles were not visible, severely scalloped loops suggested that the implanted He/H atoms existed in the form of small clusters. Comparison with reported neutron irradiation data showed that hardening and ductility loss occurred mostly in the black dot regime (< 1 ...

International Nuclear Information System (INIS)

The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results ...

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In order to investigate nonlinear gravitational galaxy clustering, three different quantitative analyses were carried out: two-point correlation functions, {xi}(r); fractal dimensions, D{sub q}; and f(N) statistics. The relation between the exponent {gamma} of the correlation function ({xi}(r) {proportional to} r{sup -{gamma}}) and the fractal dimensions, D{sub q}, was derived with the help of the probability distribution function, f(N), for finding N galaxies within a volume V. The methods were applied to analyze the results of N-body simulations with power law initial density fluctuations ( {delta}{sub k} {sup 2} {proportional to} k{sup n}, n = 1, 0, -1 and -2). These analyses show that the exponent, {gamma}, of the power law {xi}(r) is approximately 2 in the nonlinear regime for models with n = 1 and 0. For models with n = -1 and -2, the correlation functions comprise two parts ...

CERN Document Server

Elliptic Functions

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Neutron reflectometry (NR) was used to measure the concentration profile of a symmetric PEP/dPEP polymer blend with nanometer-scale resolution in the one-phase region. The shape of the profile near the surface was found to differ significantly from mean-field theory predictions for all bulk concentrations and temperatures surveyed. The profile shape is flattened at the surface over a distance about half the bulk correlation length, a length scale far greater than that of the dispersive forces that are the dominant microscopic interaction in such blends. We introduce a new method for extracting the surface energy difference that drives segregation based on the Gibbs adsorption equation (GAE) and compare it to a previous method based on mean-field theory. While both methods produce qualitatively similar results (the surface energy of pure dPEP is {approx}0.21 mJ/m{sup 2} smaller than pure PEP), the GAE method is much less model dependent, requiring knowledge of only the free energy of ...

International Nuclear Information System (INIS)

In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.

International Nuclear Information System (INIS)

The frequency dependence of the tunneling spectrum #alpha#"2F (#omega#) is analyzed in terms of electron pairing induced by exchange of acoustic plasmons in addition to the usual phonon-exchange mechanism. Analytic expressions are obtained for the electron self-energy, the tunneling function #alpha#"2F, and the electron pairing coupling lambda which determines the superconducting properties. The resulting theory is applied to recent tunneling data of Nb_3Sn in order to examine the anomalous discrepancies with the phonon density of states found by neutron scattering experiments. The results demonstrate how the high-temperature (T/sub c/ approx. 20 "0K) superconducting properties of A-15 compounds are enhanced by acoustic-plasmon contributions, and thus they reconcile these high transition temperatures with the relatively small values of the phonon part of lambda estimated from several independent experiments.

British Library Electronic Table of Contents (United Kingdom)

Abstract We analyse extinction maps of nearby giant molecular clouds to forge a link between driving processes of turbulence and modes of star formation. Our investigation focuses on cloud structure in the column density range above the self-shielding threshold of 1-mag AV and below the star formation threshold - the regime in which turbulence is expected to dominate. We identify clouds with shallow mass distributions as cluster forming. Clouds that form stars in a less clustered or isolated mode show a steeper mass distribution. Structure functions prove inadequate to distinguish between clouds of different star formation mode. They may, however, suggest that the turbulence in the average cloud is governed by solenoidal forcing. The same is found using the -variance analysis which also in...

CERN Document Server

We address the deviations of the scaling relations of elliptical galaxies from the expectations based on the virial theorem and homology, including the "tilt" of the "fundamental plane" and the steep decline of density with mass. We show that such tilts result from dissipative major mergers once the gas fraction available for dissipation declines with progenitor mass, and derive the scaling properties of the progenitors. We use hydrodynamical simulations to quantify the effects of major mergers with different gas fractions on the structural properties of galaxies. The tilts are driven by the differential shrinkage of the effective stellar radius as a function of dissipation in the merger, while the correlated smaller enhancements in internal velocity and stellar mass keep the slope of the velocity-stellar mass relation near V \\pr M_*^{1/4}. The progenitors match a straightforward model of disc formation in LCDM haloes. Their total to stellar ...

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The use of POE solid polymer electrolytes in negative lithium electrode batteries allows to reach energy density values close to 150 Wh/kg. The functioning of Li/POE/V{sub 2}O{sub 5} elements has been studied on small capacity elementary cells (about 26 mAh) and the results obtained were confirmed using coiled elements of 1.4 to 1.8 Ah capacity. This work has been carried out for Bollore Technologies (BT) and Electricite de France (EdF) companies. (J.S.)

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The influence of a periodic electromagnetic field on the radiative corrections to the atomic energy levels is studied for the case of ''strong fields'' for which the interaction between the atom and field is of the order or greater than the radiative effects. The analysis is carried out on the basis of the Schwinger-Dirac equation for the propagation function of a bound electron in the field and on the basis of the density matrix in the Furry representation. It is shown that in the strong field approximation the radiative shifts and widths are manifest as radiative corrections to the quasi-energies. In super-high resolution experiments intensity effects in the radiative corrections to the atomic levels are obtained in the case of single-photon resonance. Some multiphoton processes are condidered by taking into account the effect of the field on the radiative structure of the levels.

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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.

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During helium beam fuelling experiments in JET, distinctive anisotropic features have been observed in the velocity distribution function describing both fast and thermal alpha particle populations. During the initial fuelling phase the central helium ion temperature observed perpendicular to the magnetic field is higher than the central electron temperature, while the central helium ion temperature observed parallel to the magnetic field is lower than or equal to the central electron temperature. In order to verify temperature measurements of both perpendicular and parallel lines of sight, other independent methods of deducing the ion temperature are investigated: deuterium ion temperature, deuterium density, comparison with neutron rates and profiles (influence of a possible metastable population of helium). 6 refs., 7 figs.

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.

CERN Document Server

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

International Nuclear Information System (INIS)

First-principles density functional theory (DFT) based calculations were performed to study the electronic and cohesive properties of all the intermediate ordered phases appearing in the transformation from bcc-based #beta# to hexagonal ordered #omega# phase in Zr_3Al alloy. Full-potential linear augmented plane wave (FPLAPW) method under the GGA was employed to establish the stability hierarchy and structure-property correlations. Further, effective pair potentials upto the fourth nearest neighbours were extracted, which, subsequently, were used for the thermodynamics analysis of the thermally-induced #beta##->##omega# transformation. The lattice collapse mechanism involving the concept of the onset of a displacement wave where the extent of collapse is viewed as an amplification of the displacement wave was employed for further analysis. (author)

British Library Electronic Table of Contents (United Kingdom)

An experimental study was performed to investigate the heat transfer characteristics of the mixed convection flow through a horizontal rectangular channel where open-cell metal foams of different pore densities (10, 20 and 30 PPI) were situated. A uniform heat flux was applied at all of the bounding walls of the channel. For each of three values of the uniform heat flux, temperatures were measured on the entire surfaces of the walls. Results for the average and local Nusselt numbers are presented as functions of the Reynolds and Richardson numbers. The Reynolds number based on the channel height of the rectangular channel was varied from 600 to 33000, while the Richardson number ranged from 0.02 to 103, extending over forced, mixed and natural convection. Second important parameter that in...

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Epitaxial films grown pseudomorphically on substrates provide a way to stabilise non-equilibrium structures of materials. Obviously, there always is a certain lattice misfit between substrate and film material in its bulk equilibrium structure. In the pseudomorphic regime, this misfit can either lead to the growth of films in a strained bulk structure or even yield structures that are not stable in the bulk. Large misfits do not necessarily imply large lateral stress. Theory can help to predict e.g. geometry, stress and magnetic properties of pseusomorphically grown metal films. In this work, we considered the fcc-bcc epitaxial Bain path of 3d, 4d, and 5d transition metals, which provides a reasonable description of tetragonally distorted films on substrates. We carried out density functional calculations in the implementation of the full potential local orbital program package FPLO. Emphasis is put on similarities among the transition metals.

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

British Library Electronic Table of Contents (United Kingdom)

We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...

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We have studied the structure of both propanol isomers in their glassy and crystalline states by neutron diffraction. The glass-transition temperatures of 1- and 2-propanol are about 98 and 115 K, respectively and, surprisingly, even larger differences are observed for the melting temperatures of the stable crystals, which are 148 and 185 K, respectively. Their supercooled liquid phases show rather different relaxation spectra, 1-propanol manifesting strong deviations from Debye behavior, whereas 2-propanol shows a far weaker effect. We discuss the spectra obtained for the static structure factor and the static pair correlation function D(r). There is a noticeable difference in the position of the first sharp diffraction peak, which clearly indicates a density change, well correlated with the period of the intermolecular oscillations shown by D(r). (orig.)

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

SNAP25 occurs on chromosome 20p12.2, which has been linked to schizophrenia in some samples, and recently linked to latent classes of psychotic illness in our sample. SNAP25 is crucial to synaptic functioning, may be involved in axonal growth and dendritic sprouting, and its expression may be decreased in schizophrenia. We genotyped 18 haplotype-tagging SNPs in SNAP25 in a sample of 270 Irish high-density families. Single marker and haplotype analyses were performed in FBAT and PDT. We adjusted for multiple testing by computing q values. Association was followed up in an independent sample of 657 cases and 411 controls. We tested for allelic effects on the clinical phenotype by using the method of sequential addition and 5 factor-derived scores of the OPCRIT. Nine of 18 SNPs had P values <...

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It has been shown that two-dimensional arrays of rigid or fluidlike cylinders in a fluid or a gas define, in the limit of large wavelengths, a class of acoustic metamaterials whose effective parameters (sound velocity and density) can be tailored up to a certain limit. This work goes a step further by considering arrays of solid cylinders in which the elastic properties of cylinders are taken into account. We have also treated mixtures of two different elastic cylinders. It is shown that both effects broaden the range of acoustic parameters available for designing metamaterials. For example, it is predicted that metamaterials with perfect matching of impedance with air are now possible by using aerogel and rigid cylinders equally distributed in a square lattice. As a potential application of the proposed metamaterial, we present a gradient index lens for airborne sound (i.e. a sonic Wood lens) whose functionality is demonstrated by multiple ...

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...

Science.gov (United States)

density is slightly higher, its electrical conductivity is much higher, and it is slightly ... Sea water has characteristic properties (e.g. density) that are independent of ...

Energy Technology Data Exchange (ETDEWEB)

The two-phase flow regime transition in a large diameter (I.D.=200mm) vertical pipe was experimentally investigated using a dual-sensor optical probe. The flow transitions from bubbly to chum without an intermediate slug flow regime as the air flow rate is increased. The transition boundaries developed for bubbly to slug flow in small diameter pipes are compared to the bubbly to chum flow transition of the present experiment. The bubbly to chum transition occurs at a void fraction of about 0.15 compared to 0.25 for bubbly to slug transition in small diameter pipes. The radial distribution of bubble diameter, bubble frequency, bubble velocity and local void fraction were obtained using a dual-sensor optical probe at different flow conditions. The Probability Density Function (PDF) and Cumulative Distribution Function (CDF) of the bubble velocity and size are used to study the flow regime transition in the large diameter ...

CERN Document Server

The delayed detonation model describes the observational properties of the majority of type Ia supernovae very well. Using numerical data from a three-dimensional deflagration model for type Ia supernovae, the intermittency of the turbulent velocity field and its implications on the probability of a deflagration-to-detonation (DDT) transition are investigated. From structure functions of the turbulent velocity fluctuations, we determine intermittency parameters based on the log-normal and the log-Poisson models. On the other hand, the analysis of the turbulent velocity fluctuations in the vicinity of the flame front by Roepke suggests a much higher probability of large velocity fluctuations on the grid scale in comparison to the log-normal intermittency model. Following Pan et al., we computed probability density functions for a DDT for the different distributions. Assuming that a DDT can occur in the stirred flame regime, ...

International Nuclear Information System (INIS)

The present work is to study effects of neutron irradiation on the structure of amorphous Pb_8_0 Si_2_0 and Pd_7_7_._5 Cu_6 Si_1_6_._5 alloys by using X-ray diffraction techniques. differential scanning calorimertry (DSC) and internal friction measurements. The irradiation will produce obvious changes in the pair correlation function g(r) and radial distribution function RDF (r). The increase of crystallization temperature (Tx) and enthalpy of two specimens were found by DSC measurements after irradiation. The results of internal friction measurement show that the internal friction of the irradiated Pd_8_0Si_2_0 alloy is higher than that of the unirradiated in the temperature range of Tdensity fluctuation defects (p) and shear stress fluctuation defects (#iota#).

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Micro-Vickers hardness measurement has been used to determine the composition of functionally graded materials (FGMs). Materials used in the present study are Al-SiC, Al-Shirasu and Al-Al{sub 3}Ni FGMs, which are fabricated by a centrifugal method. The micro-hardness of the aluminum matrix for Al-SiC FGM markedly increases as the volume fraction of SiC particles increases. However, the tendency is not so clear in the cases of Al-Shirasu and Al-Al{sub 3}Ni FGMs. Plastic strain energy due to thermal misfits between the matrix and dipersed particles is calculated based on an elasto-plastic analysis by applying a shell theory after Lee et al. The hardness is correlated theoretically with the composition gradient through the mean plastic strain energy (responsible for dislocation density). It is concluded that the composition gradient of metal-based FGMs can be determined from micro-hardness measurements. (orig.)

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 of current-enhanced ...

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This article describes a methodology to determine the best strategy in an open bid, where oil and gas fields are the targets for exploration. Based upon the previous bid rounds for a given specific area - the Campos Basin, for that matter -, the data were statistically treated to fit a probability density function, modelling the value of bids offered by the competing companies. By means of techniques and concepts pertaining to Game Theory a balance matrix was built for values of bids made by companies as a function of the company alone in assumed bid rounds. At the end of each british auction, participants of this simultaneous game, using the rationality principle, aimed at winning the tender on the oil field aimed for, through the use of better answers with respect to its rival competitor. The game goal was maximize return on investment purchase in the decisions of lease blocks purchases in the auctions, or to try minimize ...

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A modulation transfer function (MTF) calibration method based on binary pseudo-random (BPR) gratings and arrays [Proc. SPIE 7077-7 (2007), Opt. Eng. 47, 073602 (2008)] has been proven to be an effective MTF calibration method for a number of interferometric microscopes and a scatterometer [Nucl. Instr. and Meth. A616, 172 (2010)]. Here we report on a further expansion of the application range of the method. We describe the MTF calibration of a 6 inch phase shifting Fizeau interferometer. Beyond providing a direct measurement of the interferometer's MTF, tests with a BPR array surface have revealed an asymmetry in the instrument's data processing algorithm that fundamentally limits its bandwidth. Moreover, the tests have illustrated the effects of the instrument's detrending and filtering procedures on power spectral density measurements. The details of the development of a BPR test sample suitable for calibration of ...

Energy Technology Data Exchange (ETDEWEB)

The major problem of measurement of a power spectral density (PSD) distribution of the surface heights with surface profilometers arises due to the unknown Modulation Transfer Function (MTF) of the instruments. The MTF tends to distort the PSD at higher spatial frequencies. It has been suggested [Proc. SPIE 7077-7, (2007), Opt. Eng. 47 (7), 073602-1-5 (2008)] that the instrumental MTF of a surface profiler can be precisely measured using standard test surfaces based on binary pseudo-random (BPR) patterns. In the cited work, a one dimensional (1D) realization of the suggested method based on use of BPR gratings has been demonstrated. Here, we present recent achievements made in fabricating and using two-dimensional (2D) BPR arrays that allow for a direct 2D calibration of the instrumental MTF. The 2D BPRAs were used as standard test surfaces for 2D MTF calibration of the MicromapTM-570 interferometric microscope with all available objectives. ...

Energy Technology Data Exchange (ETDEWEB)

The task of designing high performance X-ray optical systems requires the development of sophisticated X-ray scattering calculations based on rigorous information about the optics. One of the most insightful approaches to these calculations is based on the power spectral density (PSD) distribution of the surface height. The major problem of measurement of a PSD distribution with an interferometric and/or atomic force microscope arises due to the unknown Modulation Transfer Function (MTF) of the instruments. The MTF characterizes the perturbation of the PSD distribution at higher spatial frequencies. Here, we describe a new method and dedicated test surfaces for calibration of the MTF of a microscope. The method is based on use of a specially designed Binary Pseudo-random (BPR) grating. Comparison of a theoretically calculated PSD spectrum of a BPR grating with a spectrum measured with the grating provides the desired calibration of the ...

Science.gov (United States)

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Science.gov (United States)

This study investigated the feasibility of using a new adsorbent prepared from coconut coir pith, CP (a coir industry-based lignocellulosic residue), for the removal of uranium [U(VI)] from aqueous solutions. The adsorbent (PGCP-COOH) having a carboxylate functional group at the chain end was synthesized by grafting poly(hydroxyethylmethacrylate) onto CP using potassium peroxydisulphate-sodium thiosulphite as a redox initiator and in the presence of N,N'-methylenebisacrylamide as a crosslinking agent. IR spectroscopy results confirm the graft copolymer formation and carboxylate functionalization. XRD studies confirm the decrease of crystallinity in PGCP-COOH compared to CP, and it favors the protrusion of the functional group into the aqueous medium. The thermal stability of the samples was studied using thermogravimetry (TG). Surface charge density of the samples as a function of ...

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)

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 phase is not a ...

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

International Nuclear Information System (INIS)

A study on oxygen-plasma treatment of ink-jet paper is presented. Paper was exposed to a weakly ionized, highly dissociated oxygen plasma with an electron temperature of 5 eV, a positive-ion density of 8 x 1015 m-3 and a density of neutral oxygen atoms of 5 x 1021 m-3. Optical emission spectroscopy (OES) was applied as a method for detection of the reaction products during the plasma treatment of the paper. OES spectra between 250 and 1000 nm were measured continuously during the plasma treatment. The wettability of the samples before and after the plasma treatment was determined by measuring the contact angle of a water drop. The appearance of the surface-functional groups was determined by using high-resolution x-ray photoelectron spectroscopy (XPS), while changes in the surface morphology were monitored with scanning electron microscopy (SEM). Already after 1 s of the plasma treatment the surface, which was originally ...

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 transfer found by Tersoff ...

Energy Technology Data Exchange (ETDEWEB)

It is often advantageous to generate power with combinations of wind and ocean waves. In fact ocean waves, their generation, propagation, dissipation are directly related to wind velocity and its duration oven the sea. In this paper an attempt has been made to demonstrate statistically to present some advantages with combined wind and ocean wave power generation. Even though many conceptual techniques and methods are possible to harness combined power generation, it is important to test feasibility of combined output as well as individual outputs mathematically. One of the major advantages of combined wind and wave power generation is to improve probability of continuous power supply (it minimises the interruptions and compensates power fluctuations with one another). Some of the major wave characteristics like wave Height (H), Time period (T), Wave length (L) significantly influence wave power generation. Interestingly, these ocean waves are dependent on wind velocity over ocean. To ...

Science.gov (United States)

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

International Nuclear Information System (INIS)

Considered is a new type of generalized asymptotic functions, which are not functionals on some space of test functions as the Schwartz distributions. The definition of the generalized asymptotic functions is given. It is pointed out that in future the particular asymptotic functions will be used for solving some topics of quantum mechanics and quantum theory.

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 ...

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PMID:3716246

Science.gov (United States)

In this activity, students will make a turbidity current. They will discover how fluids of differing densities interact with one another, learn some ways the densities of fluids can be changed and observe how density currents transport and deposit tremendous amounts of sediment in lakes and in the ocean. Additional options allow students to create and observe different kinds of density currents.

Energy Technology Data Exchange (ETDEWEB)

Proton and alpha particle spectral shapes and multiplicities have been measured in coincidence with evaporation residues from {sup 28}Si+{sup 165}Ho and {sup 16}O + {sup 197}Au, {sup 208}Pb fusion reactions. Our experiments used 145 to 220 MeV {sup 28}Si and 115 and 140 MeV {sup 16}O beams produced with the Stony Brook LINAC. ER`s were separated using an electrostatic deflector and detected with large area surface barrier detectors. Light charged particles were detected at forward and backward angles with fourteen single NaI detectors. In the context of the statistical model, charged particle spectra yield information about emission barriers and compound nucleus equilibrium level densities. These are significant ingredients in calculations determining fission timescales from other observables such as pre-scission neutron multiplicities or fusion-evaporation excitation functions. Results will also be compared to analyses of pre-scission charged ...

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FT-IR spectroscopic studies of the adsorption of natural and {sup 18}O-enriched NO gases on thermally and cleaned MgO powders were carried out. The temperature dependence of the IR spectra was investigated to characterize the adsorbate species. Three types [1, 2, and 3] of NO adsorptions were obtained in the wavenumber region of 1500--1000 cm{sup {minus}1}. Those types were examined using density functional theory [(U)B3-LYP/6-31G*] vibrational analyses of (MgO){sub n}-NO cluster calculations. Types 1, 2, and 3 were assigned to monodentate, asymmetric, and symmetric bidentate geometries, respectively. A type 4, a tridentate model which involves a NO{sub 3}-like species, was calculated and was found to give wavenumbers of less than 1,000 cm{sup {minus}1}. The splitting of IR bands of type 3 due to the {sup 15}N{sup 18}O adsorbate was ascribed to the oxygen exchange, {sup 15}N{sup 18}O {yields} {sup 15}N{sup 16}O, via the reaction {sup 16}O-{sup ...

Science.gov (United States)

Comparative patterns of equilibrium adsorption of argon on the surface of graphitized thermal carbon black (GCB) and the inhomogeneous surfaces of nongraphitized carbon black and silica at 77 and 87.3 K were considered. It was shown that argon acquires the properties of a special phase with a layered structure and exhibits two-dimensional phase transitions with the formation of crystal-like layers near the homogeneous surface of GCB even at a temperature exceeding the triple point. However, already at a distance of three-four molecular diameters from the surface, adsorbed argon behaves as a bulk phase in a weak external field. The defect surface of nongraphitized carbon black and the amorphous surface structure of silica destroy the longrange order of adsorbed argon and lower its solidification temperature. Therefore, argon adsorbed at a temperature of 77 K, i.e., below the triple point, exhibits the properties of a supercooled liquid. The applicability of density ...

International Nuclear Information System (INIS)

The T/sub c/ behavior of vapor-deposited Nb_3Ge and Nb_3Sn is examined as a function of low-fluence alpha-particle irradiation. It is found that for Nb_3Sn with rho_0approx.15 #mu##OMEGA#-cm the T/sub c/ is insensitive to low doses of radiation, whereas Nb_3Ge with rho_0approx.50 #mu##OMEGA#-cm has its T/sub c/ depressed immediately with irradiation. It is suggested that the T/sub c/ behavior of A-15 superconductors in the regime of small dose is strongly influenced by the initial state of the sample. Furthermore, it is argued that the behavior of the T/sub c/ with dose can be qualitatively explained by considering a sharp structure in the density of states N(E), the smearing of which by defects leads to a depression in T/sub c/.

Science.gov (United States)

Molecular dynamics simulations have been used to study the differences between two DNA and RNA 14-mer quadruplexes of analogous sequences. Their structures present a completely different fold: DNA forms a bimolecular quadruplex containing antiparallel strands and diagonal loops; RNA forms an intrastrand parallel quadruplex containing a G-tetrad and an hexad, which dimerizes by hexad stacking. We used a multiscale computational approach combining classical Molecular dynamics simulations and density functional theory calculations to elucidate the difference in stability of the 2-folds and their ability in coordinating cations. The presence of 2'-OH groups in the RNA promotes the formation of a large number of intramolecular hydrogen bonds that account for the difference in fold and stability of the two 14-mers. We observe that the adenines in the RNA quadruplex play a key role in conserving the geometry of the hexad. We predict the cation ...

International Nuclear Information System (INIS)

A commercial CFD code, Fluent, has been used to analyse the design of a filter-press reactor operating with characteristic linear flow velocities between 0.024 and 0.192 m s-1. Electrolyte flow through the reactor channel was numerically calculated using a finite volume approach to solve the Navier-Stokes equations. The length of the channel was divided into 7 sections corresponding to distances of 0, 0.01, 0.04, 0.08, 0.12, 0.14 and 0.15 m from the electrode edge nearest to the inlet. The depth of the channel was divided into three planes parallel to the channel bottom. For each channel section, a velocity profile was obtained at each depth together with the average velocity in each plane. The flow predictions show that the flow development, as the electrolyte passes through the cell, is strongly affected by the manifold causing strong vortex structures at the entrance and exit of the channel. Although the flow disturbances are a function of the flow rate, they ...

Energy Technology Data Exchange (ETDEWEB)

Predictions for E2, M1, and M4 transition rates and moments, together with examples of transition-charge densities, are presented for states of N = 50 nuclei. These predictions are based on one-body spectroscopic amplitudes obtained from the wave functions of a new N = 50 shell-model calculation which incorporates the 0f/sub 5/2/, 1p/sub 3/2/, 1p/sub 1/2/, and 0g/sub 9/2/ single-particle orbits and an empirically determined effective Hamiltonian for this space. The predictions are compared with experimental data, first in order to evaluate how well the model space, as applied by this Hamiltonian, accounts for observations, and then to assess the importance of configurations excluded from the model space and to determine the values of the operator renormalizations (effective charges and effective g factors) which optimally map the theoretical results onto the corresponding experimental values.

Energy Technology Data Exchange (ETDEWEB)

Simplifying hypotheses are required when combustion and aerodynamic phenomena are considered simultaneously. In this paper, a turbulent combustion model is proposed, in which the combustion chemistry is reduced to a single reaction. In this way, only two variables are needed to describe the problem and combustion can be characterized by the consumption of one of the two reactive species. In a first step, the instantaneous consumption rate is obtained using the Lagrangian form of the mass fraction equation of the species under consideration, and by considering the equilibrium state only. This state is determined in order to preserve the consistency with results that should be obtained using a complete kinetics scheme. In a second step, the average rate is determined using the instantaneous consumption term and a probabilistic density function. This model was tested on various configurations and in particular on an experimental main chamber and ...

International Nuclear Information System (INIS)

Here we describe the use of low energy plasma immersion with active screen as a convenient approach for polypropylene (PP) surface modification. Employing a stainless steel cathodic cage coated with carbon in order to prevent the sputtering of iron from the grid and its deposition onto the polymer sample, the physical chemical properties of PP surface could be effectively modified through the plasma-induced incorporation/formation of nitrogen- and oxygen-containing species. The areal densities of these elements depended on the plasma excitation source, as determined by Rutherford backscattering spectrometry (RBS). Newly formed C-O, C-N, and C=O/O=C-O/N-C=O bonds along with C-C linkages from the PP backbone were identified at the near surface region of the specimens by X-ray photoelectron spectroscopy (XPS). The insertion of such polar reactive functionalities was further confirmed by a substantial decrease in the water contact angle upon plasma ...

Science.gov (United States)

The macroscopic rotation of plasma in a toroidal containment device is an important feature of the equilibrium. Toroidal and polidal rotation in the high-beta tokamak Torus II is measured experimentally by examining the Doppler shift of the 4685.75 A He II line emitted from the plasma. The toroidal flow at an average velocity of 1.6 x 10/sup 6/ cm/sec, a small fraction of the ion thermal speed, moves in the same direction as the toroidal-plasma current. The poloidal flow follows the ion diamagnetic current direction, also at an average speed of 1.6 x 10/sup 6/ cm/sec. In view of certain ordering parameters, the toroidal flow is compared with predictions from neoclassical theory in the collisional, Pfirsch-Schluter regime. The poloidal motion, however, results from an E x B drift in a positive radial electric field, approaching a stable ambipolar state. This radial electric field is determined from theory by using the measured poloidal velocity. Mechanisms for the time evolution of ...

Energy Technology Data Exchange (ETDEWEB)

The scalar mixing time scale, a key quantity in many turbulent combustion models, is investigated for reactive scalars in premixed combustion. Direct numerical simulations (DNS) of three-dimensional, turbulent Bunsen flames with reduced methane-air chemistry have been analyzed in the thin reaction zones regime. Previous conclusions from single step chemistry DNS studies are confirmed regarding the role of dilatation and turbulence-chemistry interactions on the progress variable dissipation rate. Compared to the progress variable, the mixing rates of intermediate species is found to be several times greater. The variation of species mixing rates are explained with reference to the structure of one-dimensional premixed laminar flames. According to this analysis, mixing rates are governed by the strong gradients which are imposed by flamelet structures at high Damkoehler numbers. This suggests a modeling approach to estimate the mixing rate of individual species which can be applied, for ...

International Nuclear Information System (INIS)

The electromagnetic field due to an air explosion is here studied: neutron and the gamma-rays, generated by neutronic reactions, deposit energy which ionizes atmosphere; recoil electrons are also created by gamma collisions. This data set allows to solve the Maxwell equations which manage the electromagnetic field. The TRIPOLI-2 code studies the coupled neutron-gamma transport in 3D- geometries by the Monte Carlo method. The code has been modified to calculate the photon energy deposited in matter and the recoil electron current created by Compton effect. The method is tested wiht a simple case; then neutron and gamma transport is studied in air kerma, deposited photon energy, electron current are calculated as functions of space and time and the contributions of the different neutronic reactions are separately evaluated. The calculations presented here are only part of studies about this subject. Developments will relate three dimensional calculations and the ...

CERN Document Server

The presented results are the first measurements at RHIC for direct $\\gamma$-charged hadron azimuthal correlations in heavy ion collisions. We use these correlations to study the color charge density of the medium through the medium-induced modification of high-p$_T$ parton fragmentation. Azimuthal correlations of direct photons at high transverse energy (8 $<$ p$_T$ $<$ 16 GeV) with away-side charged hadrons of transverse momentum (3 $<$ p$_T$ $<$ 6 GeV/c) have been measured over a broad range of centrality for $Au+Au$ collisions and $p+p$ collisions at $\\sqrt{s_{NN}}$ = 200 GeV in the STAR experiment. A transverse shower shape analysis in the STAR Barrel Electromagnetic Calorimeter Shower Maximum Detector is used to discriminate between the direct photons and photons from the decays of high p$_T$ $\\pi^{0}$. The per-trigger away-side yield of direct $\\gamma$ is smaller than from $\\pi^{0}$ trigger at the same centrality class. Within the current ...

Energy Technology Data Exchange (ETDEWEB)

Radiowave scintillation in the presence of ionospheric disturbances has the potential to disrupt numerous transionospheric radio and radar systems. This report describes development of a model characterizing the plasma density irregularities that produce scintillation in the naturally disturbed mid-latitude F layer. The model will be incorporated into Program WBMOD, which includes subroutines for computing both link geometry and scintillation indices, the latter by means of phase screen diffraction theory. Earlier versions of WBMOD, were based on extensive analysis of scintillation data collected in the auroral and equatorial zones in Wideband Satellite Mission. The model described herein is based on similarly extensive analysis of Wideband data from one mid latitude station and of data collected from HiLat satellite at another mid latitude station. The model describes irregularities at an effective height of 350 km that are isotropic across the geomagnetic field ...

British Library Electronic Table of Contents (United Kingdom)

Some kind of one-dimensional (1D) peanut-shaped fullerene polymers (PSFPs) exhibit metallic properties, but their occurrence conditions are not yet clarified. By using the VASP (Vienna ab-initio simulation package) with density functional theory (DFT) and projector augmented wave (PAW) method, we have performed first-principles electronic structure calculations of four basic 1D PSFPs, T1, T2, T6, and T7 (the name of T1-T6 is the same as that of Wang et al. [9]) and two associated 1D PSFPs, T1SW1 and T6SW that are created by generalized Stone-Wales transformation (GSW) from T1 and T6. We found that almost regular six-membered rings connected throughout the tube are necessary to get metallic properties for the 1D PSFPs, although there may be several other conditions to expect metallic proper...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Due to the increased computer power and advanced algorithms, quantum mechanical calculations based on Density Functional Theory are more and more widely used to solve real materials science problems. In this context large nonlinear generalized eigenvalue problems must be solved repeatedly to calculate the electronic ground state of a solid or molecule. Due to the nonlinear nature of this problem, an iterative solution of the eigenvalue problem can be more efficient provided it does not disturb the convergence of the self-consistent-field problem. The blocked Davidson method is one of the widely used and efficient schemes for that purpose, but its performance depends critically on the preconditioning, i.e. the procedure to improve the search space for an accurate solution. For more diagonally dominated problems, which appear typically for plane wave based pseudopotential calculations, the inverse of the diagonal of (H - ES) is used. However, for ...

International Nuclear Information System (INIS)

Ion implantation of Si (60 keV, 1x10"1"4/cm"2) has been used to introduce excess interstitials into silicon predoped with high background concentrations of B, which were varied between 1x10"1"8 and 1x10"1"9/cm"3. Following post-implantation annealing at 740 degree C for 15 min to allow agglomeration of the available interstitials into elongated #left brace#311#right brace# defects, the density of the agglomerated interstitials was determined by plan-view transmission electron microscopy observation of the defects. We report a significant reduction in the fraction of excess interstitials trapped in #left brace#311#right brace# defects as a function of boron concentration, up to nearly complete disappearance of the #left brace#311#right brace# defects at boron concentrations of 1x10"1"9/cm"3. The reduction of the excess interstitial concentration is interpreted in terms of boron-interstitial clustering, and implications for transient-enhanced ...

Energy Technology Data Exchange (ETDEWEB)

The oil production is largely transported in pipelines operating in two-phase flow regime. The predominant flow pattern is the slug flow, which is characterized by intermittent succession of liquid slugs followed by long gas bubbles. This paper addresses specifically to the capture of the intermittently feature of slug flows using a compressible slug tracking model. The intermittency rules the bubble to bubble interactions, defines the bubble coalescence rate, changes the size of the bubbles, alters the pressure drop among other flow properties. The inlet sizes and velocities of the bubbles and slugs are estimated based on experimentally determined distributions characterized by its mean value and standard deviation. The inlet intermittency, transmitted through the inlet boundary condition, results in a better match of the fluctuating flow properties along the pipe. The simulations are carried out with air-water flow and the results present good agreement with experimental data for the ...

International Nuclear Information System (INIS)

The local density functional theory is used to study the electrical levels and thermal stabilities of complexes of interstitial boron with O and C and a boron dimer with H. The energy levels of these defects are compared with those found from deep level transient capacitance spectroscopy experiments on irradiated p-Si containing B. The levels observed at E_c-0.23, E_v+0.29, and E_v+0.51 eV are assigned to B_iO_i, B_iC_s, and B_iB_sH_i respectively. B_iC_s is passivated by one H atom. Evidence for the existence of B_iC_s has implications for mechanisms involved in the suppression of transient-enhanced diffusion of boron in ion-implanted Si by C.

International Nuclear Information System (INIS)

The current--density profile of a focused ion beam (FIB) has a central peak accompanied by broader ''wings'' that, while unimportant in lithographic applications, can lead to unwanted effects during an implantation operation. The origin of the wings, and hence the best way to minimize them, is not clear and needs further study. We have measured the line profiles of several of the ions available in our FIB machine as a function of a number of variables, under ultrahigh vacuum (UHV) conditions. No effects are observed from changes in emission current or deliberate defocusing of the objective lens. There are some changes with beam aperture and/or current, but the biggest differences seem to be associated with a change of source type and hence, possibly, with a change in the source/extractor configuration or in the alloy and the emission process. The wing amplitudes are appreciably lower than many previously observed, and their profiles, at least ...

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 ...

CERN Document Server

We consider a Mobile Ad-hoc NETwork (MANET) formed by n agents that move at speed V according to the Manhattan Random-Way Point model over a square region of side length L. The resulting stationary (agent) spatial probability distribution is far to be uniform: the average density over the "central zone" is asymptotically higher than that over the "suburb". Agents exchange data iff they are at distance at most R within each other. We study the flooding time of this MANET: the number of time steps required to broadcast a message from one source agent to all agents of the network in the stationary phase. We prove the first asymptotical upper bound on the flooding time. This bound holds with high probability, it is a decreasing function of R and V, and it is tight for a wide and relevant range of the network parameters (i.e. L, R and V). A consequence of our result is that flooding over the sparse and highly-disconnected suburb can be as fast as ...

CERN Document Server

We propose a method to determine the cosmic mass density Omega from redshift-space distortions induced by large-scale flows in the presence of nonlinear clustering. Nonlinear structures in redshift space such as fingers of God can contaminate distortions from linear flows on scales as large as several times the small-scale pairwise velocity dispersion sigma_v. Following Peacock & Dodds (1994), we work in the Fourier domain and propose a model to describe the anisotropy in the redshift-space power spectrum; tests with high-resolution numerical data demonstrate that the model is robust for both mass and biased galaxy halos on translinear scales and above. On the basis of this model, we propose an estimator of the linear growth parameter beta = Omega^0.6/b, where b measures bias, derived from sampling functions which are tuned to eliminate distortions from nonlinear clustering. The measure is tested on the numerical data and found to recover ...

International Nuclear Information System (INIS)

Electrofuel Inc. develops, manufactures and sells a lithium ion superpolymer rechargeable battery technology. This unique and breakthrough technology provides the highest energy density and longest lasting portable power source on the market today. The company's goal is to become the leading provider of portable power for the portable computer and wireless sectors and to apply its technology to a wide range of alternative energy applications. The market for this technology is large and growing rapidly. Sales have increased from 190 million devices in 1998 to a projected 600 million in 2003. The increased sales are driven by better affordability, reduced size and functionality of the battery. This annual report highlights some of the major milestones the company achieved in 2000 which helped advance the corporate strategy and which marked its transformation from a late stage development company to an early stage commercial manufacturer. The ...

International Nuclear Information System (INIS)

We have studied the efficiency of ozone production by pulsed positive corona discharge in coaxial wire-cylinder geometry at atmospheric pressure. A corona discharge was generated by short (#approx#150 ns) high voltage pulses applied between a silver coated copper wire anode and stainless steel cylinder cathode in synthetic air. A pyrex probe and Teflon tube was used for collecting discharge products and an ozone concentration was monitored outside of the discharge chamber by a non-dispersive UV absorption technique. The production of ozone was investigated as a function of energy density (10"-"4-3x10"-"1 Wh l"-"1) delivered to the discharge volume by combining the discharge frequency (0.1-10 Hz) and airflow rate (1-32 l min"-"1). From ozone concentration measurements we have evaluated the ozone production, yield and production energy cost. The ozone production yield and cost vary in the range of 15-55 g kWh"-"1 and 35-110 eV/molecule. (author)

International Nuclear Information System (INIS)

The effects of gate and drain bias stresses on thin film transistors fabricated in polysilicon films crystallized using the advanced sequential lateral solidification excimer laser annealing (SLS ELA) process, which yields very elongated polysilicon grains and allows the fabrication of TFTs without grain boundary barriers to current flow, are investigated as a function of the active layer thickness and of the TFT orientation relative to the grains. The application of hot carrier stress, with a condition of V_G_S = V_D_S/2, was determined to induce threshold voltage, subthreshold swing and transconductance degradation for TFTs in thicker polysilicon films and the associated stress-induced increase in the active layer trap density was evaluated. However, this device degradation was drastically reduced for TFTs fabricated in ultra-thin films. Furthermore, the application of the same stress condition to TFTs oriented vertically to the elongated ...

International Nuclear Information System (INIS)

X-ray magnetic diffraction (XMD) technique was applied to an orbital ordering compound of ferromagnetic YTiO_3 for the first time. The orbital-magnetic form factor #mu# _L(k) and the spin-magnetic form factor #mu# _S(k) were independently measured by utilizing the LS separation ability of the XMD. The #mu# _L(k) was measured for ten reciprocal-lattice points. No significant values of the #mu# _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# _S(k) was measured for 22 reciprocal-lattice points. Fourier synthesis of the #mu# _S(k) gave the spin density distribution m _S(r) in the real space. The obtained m _S(r) map shows the characteristic feature of the electron distribution of 3d electron in the t_2_g state of a Ti atom coordinated by O"2"- ions, in which the electrons are distributed away from the negative O"2"- ions. It is concluded that the electron ...

Energy Technology Data Exchange (ETDEWEB)

The deformation characteristics of pellets of electrolyte-binder (EB) mixes based on MgO were measured under simulated, thermal-battery conditions. Measurements (using a statistically designed experimental strategy) were made as a function of applied pressure, temperature, and percentage of theoretical density for four molten-salt electrolytes at two levels of MgO. The EB mixes are used as separators in Li-alloy thermal batteries. The electrolytes included LiCl-KCI eutectic, LiCl-LiBr-KBr eutectic, LiBr-KBr-LiF eutectic, and a LiCl-LiBr-LiF electrolyte with a minimum-melting composition. The melting points ranged from 313 C to 436 C. The experimental data were used to develop statistical models that approximate the deformation behavior of pellets of the various EB mixes over the range of experimental conditions we examined. This report, discusses the importance of the deformation response surfaces to thermal-battery design.

CERN Document Server

I present here a review of past and present multi-disciplinary research of the Pittsburgh Computational AstroStatistics (PiCA) group. This group is dedicated to developing fast and efficient statistical algorithms for analysing huge astronomical data sources. I begin with a short review of multi-resolutional kd-trees which are the building blocks for many of our algorithms. For example, quick range queries and fast n-point correlation functions. I will present new results from the use of Mixture Models (Connolly et al. 2000) in density estimation of multi-color data from the Sloan Digital Sky Survey (SDSS). Specifically, the selection of quasars and the automated identification of X-ray sources. I will also present a brief overview of the False Discovery Rate (FDR) procedure (Miller et al. 2001a) and show how it has been used in the detection of ``Baryon Wiggles'' in the local galaxy power spectrum and source identification in radio data. ...

International Nuclear Information System (INIS)

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(#alpha#) and HgM sub(#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 #betta#-HgS films was not caused by the nonstoichiometry, and that the composition of #alpha#-HgS films was not always ...

International Nuclear Information System (INIS)

The collision of the Earth with extra-terrestrial ice-volatile bodies is proposed as a mechanism to produce rapid changes in the geologic record. These bodies would be analogs of the ice satellites found for the Jovian planets and suspected for comets and certain low density bodies in the Asteroid belt. Five generic end-members are postulated: (1) water ice; (2) dry ice: carbon-carbon dioxide rich, (3) oceanic (chloride) ice; (4) sulfur-rich ice; (5) ammonia hydrate-rich ice; and (6) clathrate: methane-rich ice. Due to the volatile nature of these bodies, evidence for their impact with the Earth would be subtle and probably best reflected geochemically or in the fossil record. Actual boloids impacting the Earth may have a variable composition, generally some admixture with water ice. However for discussion purposes, only the effects of a dominant component will be treated. The general geological effects of such collisions, as a function of the ...

Energy Technology Data Exchange (ETDEWEB)

To develop oxygen electrodes for rechargeable metal-air batteries, the electrochemical behaviour of gas-diffusion-type carbon electrodes loaded with Pr-Mn-Fe-based perovskite-type oxides was examined for the reduction and evolution of oxygen in 8 M KOH at 60 C. Among the oxides tested, Pr{sub 0.2}Ca{sub 0.8}Mn{sub 0.1}Fe{sub 0.9}O{sub 3} gave the highest electrode performances, e.g., current densities of 275 mA/cm{sup 2} (for oxygen reduction) and 225 mA/cm{sup 2} (for oxygen evolution) at -300 and +650 mV vs. Hg/HgO, respectively. The electrode performances were found to depend on both the catalytic activity of the oxides for H{sub 2}O{sub 2} decomposition reaction and the amounts of oxygen desorbed from the oxides. Furthermore, it was confirmed that the small zinc-air battery including the gas-diffusion-type electrode loaded with Pr{sub 0.2}Ca{sub 0.8}Mn{sub 0.1}Fe{sub 0.9}O{sub 3} showed good discharge and charge characteristics. (orig.)

CERN Document Server

We construct analytic models of incompressible, rigidly rotating stars in PN gravity and study their stability against nonaxisymmetric Jacobi-like bar modes. PN configurations are modeled by homogeneous triaxial ellipsoids and the metric is obtained as a solution of Einstein's equations in 3+1 ADM form. We use an approximate subset of the equations well-suited to numerical integration for strong field, 3D configurations in quasi--equilibrium. These equations are exact at PN order, and admit an analytic solution for homogeneous ellipsoids. In this paper we present this solution, as well as analytic functionals for the conserved global quantities, M, M_0 and J. By using a variational principle we construct sequences of axisymmetric equilibria of constant density and rest mass, i.e. the PN generalization of Maclaurin spheroids, which are compared to other PN and full relativistic sequences presented by previous authors. We then consider ...

Energy Technology Data Exchange (ETDEWEB)

Apparent molar volumes V{sub phi} and apparent molar heat capacities C{sub p,phi} were determined for aqueous solutions of nickel(II) nitrate, copper(II) nitrate, and zinc(II) nitrate at molalities m=(0.01 to 0.5) mol {center_dot} kg{sup -1}, and at the pressure p=0.35 MPa. Solution densities obtained using a vibrating-tube densimeter at T=(278.15 to 368.15) K were used to calculate V{sub phi} values. Heat capacity measurements obtained with a twin fixed-cell, differential-output, power-compensating, temperature-scanning calorimeter at T=(278.15 to 393.15) K were used to calculate values of C{sub p,phi}. Our results were then fitted to functions of m and T and compared to literature values.

Science.gov (United States)

A detailed model for the dynamic resistivity of an exploding conductor presents many difficulties. An electrically-exploded conductor undergoes significant hydrodynamic expansion as it is heated. Resistivity is a function of both the temperature and density of a conductor and realistic models for resistivity over the range of parameter space experienced by an exploding conductor are quite complex. See for example, the model of Lee and More (1984). Calculation of the hydrodynamic expansion of the conductor during and subsequent to the explosion is likewise dependent on detailed knowledge of the equation of state for the conductor in a range where few experimental data exist. A further complication is the strong magnetic field which couples the hydrodynamic expansion to the currents flowing in the expanding material. In spite of the difficulties, progress is being made on detailed modeling of fuses and exploding conductors (Lidemuth and ...

CERN Document Server

Over the last decade {\\it ab initio} modeling of material properties has become widespread in diverse fields of research. It has proved to be a powerful tool for predicting various properties of matter under extreme conditions. We apply modern computational chemistry and materials science methods, including density functional theory (DFT), to solve lingering problems in the modeling of the dense atmospheres of cool white dwarfs ($T_{\\rm eff}\\rm <7000 \\, K$). Our work on the revision and improvements of the absorption mechanisms in the hydrogen and helium dominated atmospheres resulted in a new set of atmosphere models. By inclusion of the Ly-$\\rm \\alpha$ red wing opacity we successfully fitted the entire spectral energy distributions of known cool DA stars. In the subsequent work we fitted the majority of the coolest stars with hydrogen-rich models. This finding challenges our understanding of the spectral evolution of cool white ...

Energy Technology Data Exchange (ETDEWEB)

Formation of particles from heavy duty diesel and CNG vehicles was studied in laboratory conditions. PM, nano and soot mode particle emissions formed from buses of Euro 2-5 -emission levels were studied in relation to age and type approval characteristics of the vehicle. Characteristic particle emission factors from city driving were obtained by driving the buses on VTT's heavy duty chassis dynamometer applying the transient Braunschweig city cycle. The vehicles were a representative set of Euro 2 to 3 emission categories, supplemented with Euro 4-5 (EEV) -targeted CRT, CNG and DPF cars. Particle number emissions from Euro 4 to 5 buses were 1/100-1/1000 and mass emissions 1/10-1/100 of those of the current fleet. Particle emission from natural gas buses and after an advanced CRT trap contained almost entirely liquid < 60 nm nano particles, which will make filter mass based PM control very challenging in the near future. One result was that gravimetric PM emission could ...

Energy Technology Data Exchange (ETDEWEB)

We have used polished stainless steel as a mirror substrate to provide focusing of soft x-rays in grazing incidence reflection. The substrate is bent to an elliptical shape with large curvature and high stresses in the substrate require a strong elastic material. Conventional material choices of silicon or of glass will not withstand the stress required. The use of steel allows the substrates to be polished and installed flat, using screws in tapped holes. The ultra-high-vacuum bender mechanism is motorized and computer controlled. These mirrors are used to deliver focused beams of soft x-rays onto the surface of a sample for experiments at the Advanced Light Source (ALS). They provide an illumination field that can be as small as the mirror demagnification allows, for localized study, and can be enlarged, under computer control,for survey measurements over areas of the surface up to several millimeters. The critical issue of the quality of the steel surface, polished and coated with ...

Energy Technology Data Exchange (ETDEWEB)

Exhaust fine and ultra fine particle numbers, particle sizes, mass, shape, structure and density were studied from Euro II - EEV emission level heavy-duty vehicles. For total particle emission factors city buses were run on dynamic conditions simulating city bus driving. The new heavy-duty chassis dynamometer of VTT was used. Vehicles were a comprehensive sample of current city bus fleet, the type approved emission level of which was Euro II - Euro III. Also cleaner engines of Euro IV to EEV targeted emission level were included: CRT, CNG, DPF. Particle emissions of these buses were extremely low; numbers 1/100 - 1/1000 and masses 1/10 - 1/100 of those of the predominating techniques. Morphological properties of fine particle populations that represent majority of particle size distribution (Da < 500 nm) are being analyzed by image processing (Matlab) from electron microscopical images (SEM, ESEM and TEM) as a function of particle size. ...

International Nuclear Information System (INIS)

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_0_._5Ga_0_._5As and In_0_._5_3Ga_0_._4_7As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, E(#GAMMA#_1_c) of AlP, E(L_1_c) of AlAs, and E(L_1_c) of AlSb are discussed and attributed to various experimental uncertainties. Several other quasiparticle-excitation-related properties are also examined in this work. The many-body corrections to the eigenvalues of the ...

Energy Technology Data Exchange (ETDEWEB)

The high cost of proton exchange membrane fuel cells (PEMFCs) poses a significant challenges to their commercial uptake. The bipolar plates connect the anode and cathodes of cells and separate the reactant gases, and are the most expensive components in PEMFCs. Although stainless steel can be used as a low-cost alternative in bipolar plate construction, steel is prone to electrochemical corrosion in the highly acidic PEMFC operation process. This study examined the polarization curves and ICR as a function of compaction force of a high Cr and Ni austenitic stainless steel in an environment simulating the bipolar plate under PEMFC operating conditions. The 3-electrode system consisted of a platinum (Pt) sheet, a saturated calomel electrode with a Luggin capillary contract with the used solution and the work electrode. All polarization curves were measured in a solution of H{sub 2}SO{sub 4} in order to simulate the aggressive PEMFC environment. Surface morphologies ...