Energy Technology Data Exchange (ETDEWEB)

In this thesis we study the relic density n{sub {chi}} of non--relativistic long--lived or stable particles {chi} in various non--standard cosmological scenarios. First, we discuss the relic density in the non--standard cosmological scenario in which the temperature is too low for the particles {chi} to achieve full chemical equilibrium. We also investigated the case where {chi} particles are non--thermally produced from the decay of heavier particles in addition to the usual thermal production. In low temperature scenario, we calculate the relic abundance starting from arbitrary initial temperatures T{sub 0} of the radiation--dominated epoch and derive approximate solutions for the temperature dependence of the relic density which can accurately reproduces numerical results when full thermal equilibrium is not achieved. ...

Energy Technology Data Exchange (ETDEWEB)

The subject of cosmic ray antiproton production is reexamined by considering other choices for the nature of the Majorana fermion chi other than the photino considered in a previous article. The calculations are extended to include cosmic-ray positrons and cosmic gamma rays as annihilation products. Taking chi to be a generic higgsino or simply a heavy Majorana neutrino with standard couplings to the Z-zero boson allows the previous interpretation of the cosmic antiproton data to be maintained. In this case also, the annihilation cross section can be calculated independently of unknown particle physics parameters. Whereas the relic density of photinos with the choice of parameters in the previous paper turned out to be only a few percent of the closure density, the corresponding value for Omega in the generic higgsino or Majorana case is about 0.2, in excellent agreement with the ...

International Nuclear Information System (INIS)

We evaluate the neutrino fluxes to be expected from neutralino lightest supersymmetric particle (LSP) annihilations inside the Sun, within the minimal supersymmetric extension of the standard model with supersymmetry-breaking scalar and gaugino masses constrained to be universal at the grand unified theory scale [the constrained minimal supersymmetric standard model (CMSSM)]. We find that there are large regions of typical CMSSM (m_1_/_2,m_0) planes where the LSP density inside the Sun is not in equilibrium, so that the annihilation rate may be far below the capture rate. We show that neutrino fluxes are dependent on the solar model at the 20% level, and adopt the AGSS09 model of Serenelli et al. for our detailed studies. We find that there are large regions of the CMSSM (m_1_/_2,m_0) planes where the capture rate is not dominated by spin-dependent LSP-proton scattering, e.g., at large m_1_/_2 along the CMSSM coannihilation strip. We calculate ...

CERN Document Server

In a recent paper by Hooper and Goodenough, data from the Fermi Gamma Ray Telescope was analyzed and an excess of gamma rays was found in the emission spectrum from the Galactic Center Region. Hooper and Goodenough show that the excess can be well explained by 7-10 GeV annihilating dark matter with a power law density profile if the dark matter annihilates predominantly to tau pairs. In this paper we present such a dark matter model by extending the MSSM to include four Higgs doublets and one scalar singlet. A Z2 symmetry is imposed that enforces a Yukawa structure so that the up quarks, down quarks, and leptons each receive mass from a distinct doublet. This leads to an enhanced coupling of scalars to leptons and allows the model to naturally achieve the required phenomenology in order to explain the gamma ray excess. Our model yields the correct dark matter thermal relic density and avoids collider bounds from ...

Science.gov (United States)

... Verheij (1980) described how the frequency domain could be exploited using cross spectral density measurements to measure the flexural ...

International Nuclear Information System (INIS)

... actinides comparative evaluations deformed nuclei even-even nuclei governor

Energy Technology Data Exchange (ETDEWEB)

We propose that a search for extra-terrestrial life can be approached as a Search for Extra-Terrestrial Homochirality{emdash}SETH. Homochirality is probably a pre-condition for life, so a chiral influence may be required to get life started. We explain how the weak force mediated by the {ital Z}{sup 0} boson gives rise to a small parity-violating energy difference (PVED) between enantiomers, and discuss how the resulting small excess of the more stable enantiomer may be amplified to homochirality. Titan and comets are good places to test for emerging pre-biotic homochirality, while on Mars there may be traces of homochirality as a relic of extinct life. Our calculations of the PVED show that the natural L-amino acids are indeed more stable than their enantiomers, as are several key D-sugars and right-hand helical DNA. Thiosubstituted DNA analogues show particularly large PVEDs. L-quartz is also more stable than D-quartz, and we believe that ...

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)

A microscopic calculation of the level density is performed, based on a combinatorial evaluation using a realistic single-particle level scheme. This calculation relies on a fast Monte Carlo algorithm, allowing to consider heavy nuclei (i.e., large shell model spaces) which could not be treated previously in combinatorial approaches. An exhaustive comparison of the predicted neutron s-wave resonance spacings with experimental data for a wide range of nuclei is presented.

International Nuclear Information System (INIS)

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

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)

Shocked quartz minerals from the Cretaceous-Tertiary (K/T) boundary and impact craters have been mainly discussed from distribution of optical directions, mean optical refractive index, and X-ray data (1). The purpose of the present study is presentation of the detailed mineralogical data of shocked quartz found in the K/T boundaries and terrestrial impact craters (2,3,4,5). X-ray powder diffraction pattern of shocked quartz aggregate reveals that all Xray peaks are split into major three peaks composed of low-density quartz (LQ), normal quartz (Q), and shocked quartz with high density (SQ). X-ray peaks of (110), (200), (201), (202), and (211) in the hexagonal cell are also split into many peaks. The X-ray intensity among LQ, Q, and SQ phases indicates that the SQ phase shows 36% to 53% in six K/T boundary samples (5). The relative X-ray intensity ratio of shocked quartz to standard rock crystal decreases into 13% to 37%, which suggests that ...

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 effect of two-body nature of the nuclear shell model potential on the recent numerical calculations of the nuclear level density has been examined. For the two most widely used single particle energy level schemes based on harmonic oscillator and Woods-Saxon potential, this effect is shown to significantly modify the excitation energy dependence of the level densities. (author).

Energy Technology Data Exchange (ETDEWEB)

Separate entries were made in the data base for 17 of the 19 papers included. Two papers were previously included in the data base. Workshop reports are included on (1) nuclear level density theories and nuclear model reaction cross-section calculations and (2) extraction of nuclear level density information from experimental data. (WHK)

International Nuclear Information System (INIS)

A general expression for the current-density distribution of a focused-ion beam (FIB) in the chromatic-aberration region is set up in the form of a definite integral. With the experimentally obtained ion-energy distribution of a liquid-metal ion source, its contribution to the FIB current-density distribution is estimated. Calculated results explain the wide-exponential tail of a FIB.

International Nuclear Information System (INIS)

A method has been developed for calibration of CT-numbers to volumetric electron density distributions using tissue substitutes of known elemental composition and experimentally determined electron density. This information have been used in a dose calculation method based on photon and electron interaction processes. The method utilizes a convolution integral between the photon fluence matrix and dose distribution kernels. Inhomogeneous media are accounted for using the theorems of Fano and O'Connor for scaling dose distribution kernels in proportion to electron density. For clinical application of a calculated dose plan, a method for prediction of accelerator output have been developed. The methods gives the number of monitor units that has to be given to obtain a certain absorbed dose to a point inside an irregular, inhomogeneous object. The method for verification of dose ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Mass density of a composite is generally taken as the volume-averaged value of components' densities. Moreover, the same volume-averaged mass density is usually used to calculate the wave speed in the long-wavelength limit, i.e., where the wavelength is much larger than the size of the inhomogeneities. In this paper, we show via rigorous derivation that the dynamic mass density used in the calculation of (long-wavelength) wave speed can differ significantly from the static volume-averaged value. This recognition is shown to yield an excellent account of some recent experimental data, as well as to make possible the realization of acoustic metamaterials. Physical reason for the difference between two mass densities is attributed to the relative motion between the components. That is, the implicit assumption-that all components in a ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

This paper deals with electron flux densities and electron energy flux densities in positive column discharges. Recent kinetic calculations by Uhrlandt and Winkler have revealed the interesting physical phenomenon of radially inward directed energy flux densities in positive column plasmas. We have used a self-consistent positive column model, based on an accurate and highly detailed Monte Carlo code, to study this effect in more depth. The results of this study show a rather complex physical picture of electron particle and energy flux densities. Electrons with low energies usually exhibit radially outward directed particle and energy flux densities. At energies above the threshold for electronic excitation particle and energy flux densities are usually inward directed. Only close to the wall, at total energies above the wall potential ...

Energy Technology Data Exchange (ETDEWEB)

The high-energy reaction cross sections of Li and Be isotopes are calculated using a simplified Glauber model and densities constrained by the empirical binding energies. We find excellent agreement with experiment, reproducing the large increase for the most neutron-rich nuclei.

Energy Technology Data Exchange (ETDEWEB)

The 1.04 GeV-proton elastic scattering from /sup 40/Ca is studied in the framework of the coherent density fluctuation model (CDFM). The calculations are carried out in the Glauber theoretical scheme with three different charge densities. It is shown that: i) the account of the flucton correlations leads to results considerably different from those obtained in the independent particle Glauber approach (IPGA); ii) in contrast to the case of IPGA the use of a more realistic density improves the agreement of CDPM-results with the experimental data.

International Nuclear Information System (INIS)

Power density measurements in the critical facility RA-8 are presented. These measurements were the first systematic use of the reactor. A measurement system was designed, built and proved for this goal. Power profiles are showed and the results are compared with calculated values. (author)

Wastenet

...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...

International Nuclear Information System (INIS)

We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic chemical shift between the standard ...

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.

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 electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

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 ...

International Nuclear Information System (INIS)

A high-density gas jet supersonic nozzle is reported in this paper. The jitter and actuation time of the nozzle is determined by the pin discharge and laser spark radiation respectively. The jitter time of the nozzle is within 10 ?s with the backing pressure as high as 25 bar. With a nanosecond laser pulse focused on the gas jet about 1 mm below the nozzle, the actuation time is calculated to be about 15 ms by detecting the laser produced spark radiation, which reveals the existence of the gas jet and the relative gas density evolving with time. Consequently the gas density is estimated to be well above 1019 cm-3, compared with theoretical simulations from the nozzle parameters.

Energy Technology Data Exchange (ETDEWEB)

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

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...

International Nuclear Information System (INIS)

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

Science.gov (United States)

We describe calculations of the energy loss, range, stopping power, multiple scattering, and other related properties of a high-energy heavy-ion beam at any one of a set of beam line elements. A beam line element (e.g., any beam modification, detection, or control device) is characterized by its thickness, areal density, aperture, and function. The loss of multiply scattered particles to any finite-aperture detector is calculated in the small-angle approximation, and the position of the Bragg peak, as given by particles stopping in the second of two ionization chambers used for Bragg curve measurements, is estimated. A general purpose computer program, PROPAGATE, has been written to allow addition, deletion, and modification of the beam line elements used in the calculation and to provide a convenient means of repeating such calculations for arbitrary beam lines. ...

International Nuclear Information System (INIS)

Local-density-approximation calculations of the H-point phonon frequency of molybdenum were carried out using a new superlinearized augmented-plane-wave basis. The calculated frequency is in quite good agreement with experiment. This indicates that the effect of the many-body renormalization of the electronic states near the Fermi energy on this frequency is smaller than previously suggested. The superlinearized basis and its use to circumvent computational difficulties associated with extended semicore states such as the 4p state of molybdenum is described.

Energy Technology Data Exchange (ETDEWEB)

Differential cross sections for 201.5 MeV proton scattering form /sup 88/Sr were measured. From the analysis of the elastic data, no unique optical-model potential could be obtained, but the radial moments are well determined. In a macroscopic analysis of the collective states it turns out that if the optical potential and transition potential are chosen consistently, unambiguous potential deformation lengths can be obtained even though the optical potential is not unique. Taking into account the range and density dependence of the underlying effective interaction reliable neutron deformation lengths can be obtained. For inelastic transitions of various character microscopic distorted-wave calculations with a density-dependent interaction based on the Paris potential were performed. The nuclear structure was taken from one broken-pair calculations in a large model space, calibrated by (e,e') ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

We studied the optimum plasma conditions that are required for efficient high-order harmonic generation in platinum plume. Harmonics up to the 49th order (?=16.32 nm) are analyzed under various conditions of laser-plasma interaction. Time-resolved ultraviolet spectra of platinum plasma at both optimum and nonoptimum conditions of harmonic generation are presented. We calculated the ionization states of the plasma, free electron density, and singly charged ion density at different prepulse intensities and compared them with experimental results.

Energy Technology Data Exchange (ETDEWEB)

A new method for analysis and design of smoothing reactances utilising two-dimensional planar models is presented in this paper. Inductance and magnetic flux density are calculated, and their results compared with those measured experimentally. The results obtained are good if compared with those measured once the machine have been built. Moreover, the method herein developed is applied to the calculation of air gap lengths in terms of the desired current and inductance. The kind of reactances studied presents windings in both limbs and air gaps in the four corners (joint of limbs and yokes). The main contribution of this paper is the presentation of a method of industrial application, to be easily developed, with a very important reduction in the time of machine calculation (due to the decrease in the number of nodes and elements compared with the three-dimensional model) for the determination of the ...

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...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Experimental data on density, viscosity, and refractive index at T = (298.15, 303.15, and 308.15) K, while speed of sound values at T = 298.15 K are presented for the binary mixtures of (methylcyclohexane + benzene), methylbenzene (toluene), 1,4-dimethylbenzene (p-xylene), 1,3,5-trimethylbenzene (mesitylene), and methoxybenzene (anisole). From these data of density, viscosity, and refractive index, the excess molar volume, the deviations in viscosity, molar refraction, speed of sound, and isentropic compressibility have been calculated. The computed values have been fitted to Redlich-Kister polynomial equation to derive the coefficients and estimate the standard errors. Variations in the calculated excess quantities for these mixtures have been studied in terms of molecular interactions between the component liquids and the effects of methyl and methoxy group substitution on benzene ring.

Energy Technology Data Exchange (ETDEWEB)

The experimental densities, {rho} for binary mixtures of (N-acetylmorpholine + benzene, +toluene, +ethylbenzene, and +mesitylene) have been measured at temperatures from (293.15 to 343.15) K and atmospheric pressure over the whole mole fraction range. From these results, excess molar volumes V{sup E} have been calculated and fitted to the Redlich-Kister polynomial equation. The V{sup E} values are negative over the whole mole fraction range and at all temperatures. Thermal expansion coefficients {alpha}{sub i}, apparent molar volumes V{phi}{sub i}, and partial molar volumes at infinite dilution V{sub i}{sup {infinity}} have been calculated. The variation of these properties with composition and temperature of the binary mixtures are discussed in terms of molecular interactions.

Energy Technology Data Exchange (ETDEWEB)

Solid state nuclear track detectors (SSNTD) record radiation in the form of tracks. In the case of high track density, however, it is not always possible to distinguish each track separately. The track density might then be underestimated unless the loss of track number due to overlapping is compensated. An elaborated 'erosion' or curve fitting process is applied usually, for the separation of the overlapping tracks, to automatic track counting systems. This paper shows a much simpler correction method which was developed by the analogy of the correction equation for the dead time of GM counters. From a set of about 10 data obtained from high track density detectors, the equation for SSNTD can be determined by a least square fitting. Once the equation is found, true track density could be derived easily without any help of complex image processing or calculation, ...

Energy Technology Data Exchange (ETDEWEB)

The universal depression of the superconducting transition temperature T/sub c/ in disordered A-15 compounds is examined. It is found that their anomalous behavior can be explained by a simple model for the density of states, which is enhanced by disorder in some cases. The dramatic drop in T/sub c/ in constant density-of-states A-15 compounds like Nb/sub 3/Ge or Nb/sub 3/Al at a critical value of the resistivity can be attributed to overdamping of acoustic plasmons, which decreases the electron pairing interaction despite relatively small changes in the density of states. Agreement for T/sub c/ and susceptibility chi with previous calculations is found of the position of the Fermi energy is near a peak. Possible experiments are proposed to check the above models.

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)

International Nuclear Information System (INIS)

The proton and neutron densities, root-mean-square (rms) radii of proton density and neutron density, and neutron skin thickness of "4"-"1"0He, "6"-"1"1Li, and "7"-"1"2Be isotopes are calculated using Skyrme-Hartree-Fock method with SLy4, SLy5, SLy6, and SLy7 force parameters. The evaluated results are compared with experimental data. Also, the results of halo nuclei ("6","8He, "1"1Li, and "1"1Be) are compared with the results of other isotopes for selected nuclei having the same neutron configuration.

International Nuclear Information System (INIS)

A new formulation of meson self-energies is introduced for #sigma#,#omega#,#pi#,#rho#,#delta#, and #eta# mesons on the basis of the particle-hole-antiparticle representation. We have studied the difference between the meson self-energy (MSE) of this representation and the MSE of the traditional density-Feynman (DF) representation. It is shown that the new formulation describes exactly the physical processes such as particle-hole excitations or particle-antiparticle excitations, and that, on the other hand, the meson self-energy based on the DF representation includes unphysical components. By numerical calculations, the meson self-energies describing the particle-hole excitations are shown to be close to each other for most of the meson self-energy in low momentum (R<500 MeV) and low energy (R_0<200 MeV). This fact implies that former calculations using the low momentum and low-energy part do not change greatly. The ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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)

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

Energy Technology Data Exchange (ETDEWEB)

The precipitation of excess silicon interstitials into dislocation loops is modeled. This situation occurs when an amorphous layer is created at the surface in order to avoid boron channeling and form shallow p junctions. The modeling of the nucleation of these extended defects is included into the process simulator IMPACT-4. Their density and mean radius are calculated for several annealing times and temperatures and they are compared with experimental characterizations. This is the first step towards a full modeling of the complex processes involved in the transient enhanced diffusion of boron.

International Nuclear Information System (INIS)

Calculating the local spectral densities at magnetic adatoms, we estimate the variation in the Yosida-Kondo resonance due to the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction and the direct exchange between adatoms in systems of magnetic trimers on metal surfaces. The results show that the RKKY interaction leads to the gradual variation in Kondo temperature, and the direct exchange can be the origin of the drastic variation. (author)

Energy Technology Data Exchange (ETDEWEB)

An analysis of trapezoidal profile convective pin fins, with internal heat generation density is presented. The solution of the optimal problem is also given, when either the desired heat dissipation rate or the volume of the pin is specified. The results are presented graphically and in polynomial forms that are particularly useful for computerized calculations. The effect of the fin`s profile and thermal conductivity upon the optimum dimensions is discussed. An example serves to demonstrate the usefulness of the method.

Energy Technology Data Exchange (ETDEWEB)

The {sup 252}Cf-source-driven noise analysis method is a versatile measurements tool that has been applied to measurements for initial loading of reactors, quality assurance of reactor fuel elements, fuel processing facilities, fuel reprocessing facilities, fuel storage facilities, zero-power testing of reactors, verification of calculational methods, process monitoring, characterization of storage vaults, and nuclear weapons identification. This method`s broad range of application is due to the wide variety of time- and frequency domain signatures, each with unique properties, obtained from the measurement. The following parameters are obtained from this measurement: average detector count rates, detector multiplicities, detector autocorrelations, cross-correlation between detectors, detector autopower spectral densities, cross-power spectral densities between detectors, coherences, and ratios of spectral ...

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.

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The two-sonde neutron-logging device RKS-2 registers the ratios of the indications of two sondes and is scaled in units representing the total water content of pure limestone when saturated with fresh water. When analyzing the results of the measurements in real wells, it is necessary to calculate the effect of well- and strata conditions on the results of porosity determination. The results of simulated measurements are presented, on the basis of which correction factors are immediately determined for the calculation of the effect of the diameter of the well, and the effect of the mud cake on the well wall. A nomogram is constructed and substantiated; its purpose is the calculation of the effect of the following on the RKS-2 indication: the diameter of the well, the mud cake on the well wall, the density of the drilling solution, temperature, pressure in the well, and the lithology of the rock.

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

CERN Document Server

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 954eV for Mg. We report the geometric structures of the resulting ground-state configurations and a few low-lying isomers. The ...

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 ...

International Nuclear Information System (INIS)

The collapse and fragmentation of initially prolate and oblate, magnetic molecular clouds is calculated in three dimensions with a gravitational, radiative hydrodynamics code. The code includes magnetic field effects in an approximate manner: magnetic pressure, tension, braking, and ambipolar diffusion are all modeled. The parameters varied for both the initially prolate and oblate clouds are the initial degree of central concentration of the radial density profile, the initial angular velocity, and the efficiency of magnetic braking (represented by a factor f _m_b = 10"-"4 or 10"-"3). The oblate cores all collapse to form rings that might be susceptible to fragmentation into multiple systems. The outcome of the collapse of the prolate cores depends strongly on the initial density profile. Prolate cores with central densities 20 times higher than their boundary densities collapse ...

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...

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The liquid/vapor coexistence density, the partial vapor pressure, and the heat of vaporization were calculated using Gibbs ensemble Monte Carlo simulation techniques. Long-range interactions such as charge-charge, charge-dipole, and dipole-dipole were evaluated using Ewald summation techniques. A polarizable potential model was used to describe the water-water interactions (Dang and Chang, J. Chem. Phys. 106, 8149, 1997). The model yields good agreement with the corresponding experimental data in the lower temperature region and moderate agreement in the higher temperature region. The critical temperature and density were estimated to be 565 K and 0.28 g/cm3.

British Library Electronic Table of Contents (United Kingdom)

Bent specimens of A533B steel (0.16wt% Cu) were irradiated at 290degreeC to 1dpa with 6.4MeV Fe3+ ions. Calculated tensile stresses at the irradiated surface were set to 0, 250, 500 and 750MPa. The specimens were subjected to hardness measurements, transmission electron microscopy (TEM) observations and three-dimensional atom probe (3DAP) analysis. The radiation-induced hardening decreased with increasing stress to 500MPa which was near the yield strength. TEM and 3DAP results showed that well-defined dislocation loops and solute clusters were formed. The diameter of dislocation loops increased and the number density decreased when the stress was applied, whereas the diameter and number density of solute clusters decreased. The hardening was mainly attributed to solute cluster formation. A...

International Nuclear Information System (INIS)

Bone mineral content as determined by computerized tomography (CT) and mechanical strength on axial loading were compared in 36 cadaveric femur specimens. Based on the CT measurements of density and area, the mass of a transverse slice of the femur was estimated. Highly significant correlations were demonstrated between strength and cancellous bone density. Even higher correlations were revealed when the bone masses of the proximal and distal femoral areas were calculated. Based on these findings, an equal distribution of the effective mass of the femur was postulated. This hypothesis was confirmed in an experimental rotational model. The CT attenuation values were also correlated to direct measurements of bone mineral content, i.e. calcium. Moreover, the strength of different metal implants, commonly used in femoral neck fractures, were assessed in cadaver specimens. 134 refs., 13 figs., 12 tabs.

International Nuclear Information System (INIS)

This work describes an experimental verification of the two-photon dose calculation engines available on the Helax-TMS (version 6.1) commercial radiotherapy treatment planning system. The performance of the pencil beam convolution and the collapsed cone superposition algorithms was examined for 4, 6, 15 MV beams, under a range of clinically relevant irradiation geometries. Comparisons against measurements were carried out in terms of absolute dose, thus assessment of the accuracy of monitor unit (MU) calculations was also carried out. Results show that both algorithms agree with measurement to acceptable tolerance levels in most cases in homogeneous water-equivalent media irradiated under full scatter conditions. The collapsed cone algorithm slightly overestimates the penumbra width and this is mainly due to discretization effects of the fluence matrix. The accuracy of this algorithm strongly depends on the resolution of the patient ...

Energy Technology Data Exchange (ETDEWEB)

A general space- and energy-dependent formalism is developed in order to analyze zero-power neutron noise experiments in fast reactor systems. A generalized dispersion equation is combined with theoretical expressions for the experimentally measured power spectral density and variance-to-mean ratio which makes it possible to express these quantities in terms of a double moment of the Laplace and Fourier transformed Green's function of a slowing-down operator rather than those of the full Boltzmann operator. Several spatial approximations are analyzed in the context of the general formalism. In each case, the power spectral density and variance-to-mean ratio are written in terms of an appropriate fast reactor dispersion law for the medium which can be calculated from the solution to a simple slowing-down equation. The resultant expression for the power spectral density are analyzed for various ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The generalized hybrid derivative coupling model has been applied to explore various ground state properties of different nuclei. In this work we have confined our calculation only to the model characterized by the hybridization parameter {alpha} = 1/4 which gives better results than the other models of the same class, as we have seen earlier, for nuclear matter calculations. The binding energy, single-particle energy spectra, density and charge radii of different doubly closed nuclei like {sup 16}O, {sup 40}Ca, {sup 48}Ca, {sup 90}Zr, {sup 132}Sn, {sup 208}Pb have been studied. The success of this model, in describing the doubly closed nuclei, motivates us to extend this calculation further in the case of open shell nuclei after incorporating the pairing interaction and using a BCS transformation. We have calculated the binding energy for such nuclei. We have also studied the ...

Energy Technology Data Exchange (ETDEWEB)

Using a noneikonal expression for the two-body scattering amplitude, consistent with the proton-nucleon scattering data, the cross-section of the 1.04 GeV-proton elastic scattering on {sup 40}Ca is calculated by the Glauber-Sitenko theoretical scheme in the framework of the coherent density fluctuation model (CDFM) as well as of the independent-particle model (IPM). It is shown that the use of the noneikonal amplitude in the CDFM calculations improves the agreement with the experimental data especially at larger scattering angles in contrast to the case of the independent-particle model. To that end a decisive role play the zero-motion flucton correlations taken into account in the CDFM. (orig.).

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.

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This series of measurements with a mixed Pu-U nitrate solution (280 g Pu/liter, 180 g U/liter) in a 35.54-cm-diam cylindrical tank provides a wide variety of experimental data for subcritical configurations that can be used to verify calculational methods and nuclear data. The Pu contained 7.85 wt% {sup 240}Pu and the uranium was natural uranium. The measurements performed were: inverse count rate, prompt neutron decay constants, inverse kinetics, and frequency analysis by the {sup 252}Cf source driven method. These data are presented in sufficient detail that the results of the experiments can be calculated directly. For purposes of extrapolating to the delayed critical height the ratio of spectral densities was linear with height and thus provided the best estimate of critical height.

Energy Technology Data Exchange (ETDEWEB)

Singlet-singlet and triplet-triplet absorption spectra of a series of methyl-alloxazines were calculated using the time-dependent density-functional theory approach and compared to experimental results. The B3LYP functional provides good correlation between experimental and theoretical results, given that solvent effects are disregarded in the present calculations. Substituent and solvent dependences of the lowest, closely spaced, n,{pi}* and {pi},{pi}* excited state energies are discussed, their order being of consequence in determining the non-radiative decay rates and thus emission quantum yields and lifetimes. The high quantum yields of singlet oxygen formation indicate that the triplet state is formed by efficient intersystem crossing from the first singlet excited state.

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The interaction between a lower hybrid wave and a fusion alpha particle displaces the alpha particle simultaneously in space and energy. This results in coupled diffusion. Diffusion of alphas down the density gradient could lead to their transferring energy to the wave. This could, in turn, put energy into current drive. Here we calculate numerical solutions for the alpha energy transfer and study a range of conditions that are favourable for wave amplification from alpha energy. We find that it is possible for fusion alpha particles to transfer a large fraction of their energy to the lower hybrid wave. The numerical calculation shows that the net energy transfer is not sensitive to the value of the diffusion coefficient over a wide range of practical values. An extension of this idea, the use of a lossy boundary to enhance the energy transfer, is investigated. This technique is shown to offer a large potential benefit. ...

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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}{sub 0} is formed at the FIB bombarding position. Furthermore, the redeposition flux on the sidewalls is calculated as a function of {theta}{sub 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.

Energy Technology Data Exchange (ETDEWEB)

The interaction between a lower hybrid wave and a fusion alpha particle displaces the alpha particle simultaneously in space and energy. This results in coupled diffusion. Diffusion of alphas down the density gradient could lead to their transferring energy to the wave. This could, in turn, put energy into current drive. An initial analytic study was done by Fisch and Rax. Here the authors calculate numerical solutions for the alpha energy transfer and study a range of conditions that are favorable for wave amplification from alpha energy. They find that it is possible for fusion alpha particles to transfer a large fraction of their energy to the lower hybrid wave. The numerical calculation shows that the net energy transfer is not sensitive to the value of the diffusion coefficient over a wide range of practical values. An extension of this idea, the use of a lossy boundary to enhance the energy transfer, is investigated. ...

Science.gov (United States)

The calculations of Gay et al. of the terminal velocities of charged hydrormeteors in the presence of electric fields have formed the basis of computations of the charging current density J flowing through a thunder-cloud as a result of the operation of a precipitative mechanism of cloud electrification. Values of J were calculated for a range of values of field strength E, precipitation rate pO, precipitation content L, cloud water content C, charge distribution, total separated charge, and the fraction of the small particles that have undergone a charging event.It is found that the estimated field required for the initiation of a lightning stroke (3.5 kV cm1 can be achieved only over a narrow range of conditions. The ease with which precipitative mechanisms can produce breakdown fields is considerably increased, however, if account is taken of spatial inhomogenities in the field.

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 ...

Energy Technology Data Exchange (ETDEWEB)

The task of designing high performance X-ray optical systemsrequires the development of sophisticated X-ray scattering calculationsbased on rigorous information about the optics. One of the mostinsightful approaches to these calculations is based on the powerspectral density (PSD) distribution of the surface height. The majorproblem of measurement of a PSD distribution with an interferometricand/or atomic force microscope arises due to the unknown ModulationTransfer Function (MTF) of the instruments. The MTF characterizes theperturbation of the PSD distribution at higher spatial frequencies. Here,we describe a new method and dedicated test surfaces for calibration ofthe MTF of a microscope. The method is based on use of a speciallydesigned Binary Pseudo-random (BPR) grating. Comparison of atheoretically calculated PSD spectrum of a BPR grating with a spectrummeasured with the grating provides the desired calibration of ...

International Nuclear Information System (INIS)

We consider particle evaporation and fission of an ensemble of hot, rotating compound nuclei as a stochastic process. We derive a set of coupled differential equations formed by a Fokker-Planck equation describing fission, and master equations for calculating particle evaporation. From these equations, we are able to determine multiplicities of prefission neutrons, protons and #alpha#-particles, their energy spectra and their angular momentum distributions. A comparison of our results with experimental data provides us with information regarding the reduced friction coefficient #beta#, the fission barrier height and the level density parameter. For different iridium isotopes, ("1"8"1","1"8"5","1"8"7Ir), "1"8"5Os and "1"5"8Er, we obtain as an upper limit #beta##<=#8.0x10"2"1 s"-"1. (orig.).

CERN Document Server

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

International Nuclear Information System (INIS)

A new microdensitometry method for quantitative assessment of bone mineral content using Fuji computed radiography (FCR) was developed and the results were compared with those obtained by the conventional film-screen method. Using both methods, X-ray pictures of the 2nd metacarpal bone were taken with a reference aluminum step wedge in nine normal subjects and nine parameters representing the width and density of bone marrow and cortex were calculated in middle of the bone shaft. Interobserver reproducibility assessed for three parameters was significantly higher in the FCR method than the conventional one. The value of #SIGMA#GS computed by the FCR method, that is equivalent to the net bone density of the transverse section of the shaft, showed higher correlation with the one obtained by computed tomography in comparison with the conventional method. In our FCR method, moreover, interobserver reproducibility and accuracy ...

International Nuclear Information System (INIS)

We investigated a method of analyzing the hemodynamics of the lung mass by contrast enhanced dynamic computed tomography (dynamic CT) to determine the difference in vascular supply between the pulmonary artery and bronchial artery using an experimental model. Our experimental model consisted of two injectors connected to two tubes, representing the pulmonary artery and bronchial artery, which were further connected to a chamber representing the lung mass. Following infusion of contrast medium into each tube with some delay time, dynamic CT scans were performed to obtain time density curves of the two tubes and the chamber. Using the time-density curve of contrast passage, flow rates from the two tubes into the chamber were calculated by the curve fitting method. Calculated values correlated well with the adopted flow rates of fluid from the injectors (r=0.893) in the experiment. The results indicate our ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

CERN Document Server

This paper constructs an analytic framework for calculating the assembly of galactic disks from the collapse of gas within dark matter halos, with the goal of determining the surface density profiles. Gas parcels (baryons) fall through the potentials of dark matter halos on nearly ballistic, zero energy orbits and collect in a rotating disk. The dark matter halos have a nearly universal form, as determined previously through numerical simulations. The calculation is first carried out for a variety of pre-collapse mass distributions and rotation profiles, including polytropic spheres in hydrostatic equilibrium with the halo potential. The resulting disk surface density profiles have nearly power-law forms, with well-defined edges. This idealized scenario is generalized to include non-spherical starting states and multiple accretion events (due to gas being added to the halo via merger events). This ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

We investigate the effects of single-particle structure and pairing on the equilibration of positive and negative-parity level densities for the even-even nuclei "5"8","6"2","6"6Fe and "5"8Ni and the odd-A nuclei "5"9Ni and "6"5Fe. Calculations are performed using the shell model Monte Carlo method in the complete fp-gds shell-model space using a pairing+quadrupole type residual interaction. We find for the even-even nuclei that the positive-parity states dominate at low excitation energies due to strong pairing correlations. At excitation energies at which pairs are broken, single-particle structure of these nuclei is seen to play the decisive role for the energy dependence of the ratio of negative-to-positive parity level densities. We also find that equilibration energies are noticeably lower for the odd-A nuclei "5"9Ni and "6"5Fe than for the neighboring even-even nuclei "5"8Ni and "6"6Fe.

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 thermophysical 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 0.15LiF-0.58NaF-0.27BeF_2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. 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 thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods 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 two ...

Science.gov (United States)

The static thermophysical properties of the molten salt system like LiF-NaF-BeF2 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 0.15LiF-0.58NaF-0.27BeF2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. 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 thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods 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 two ...

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, "4"0Ca, "4"8Ca, ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The authors present the emitter efficiency results for the thin film 25 percent Ho YAG (Yttrium Aluminum Garnet, Y3Al5O12) selective emitter from 1000 to 1700 K with a platinum substrate. Spectral emittance and emissive power measurements were made (1.2 less than lambda less than 3.2 microns) and used to calculate the radiative efficiency. The radiative efficiency and power density of rare earth doped selective emitters are strongly dependent on temperature and experimental results indicate an optimum temperature (1650 K for Ho YAG) for thermophotovoltaic (TPV) applications.

International Nuclear Information System (INIS)

A transient eddy current measurement method is presented to determine the thickness and conductivity of a conductive plate. The conductive plate is induced by an air-cored coil, the magnetic flux density along the axial is measured and the various signals corresponding to plates with different thickness and conductivity are calculated using a 3D transient eddy current simulator. Characteristic features are obtained from the transient response. A similarity-based modeling method is utilized in this study to estimate the thickness and conductivity of the conductive plate. (author)

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)

Energy Technology Data Exchange (ETDEWEB)

NIST radon standards are hermetically sealed polyethylene capsules filled with {sup 226}Ra solution. Recently, four new series of standards with activities 5, 50, 500, and 5000Bq were prepared. The measured emanation fraction agrees with a calculation that accounts for the radon accumulated inside the polyethylene walls of the capsule. Obtained solubility of radon in polyethylene is approximately 45 of the solubility of radon in water. The radon diffusion coefficient in low-density polyethylene is 7.2x10{sup -8}cm{sup 2}/s.

International Nuclear Information System (INIS)

With a computerized curve fitting method the trapping parameters of TLD-100 chips were calculated after #alpha#-, #beta#- and #gamma#-irradiation. The absorption of radiation produces an additional glow peak at 250 deg C, and the dominant one arises at 280 deg C. After the analysis of the glow curves only a little LET-dependence of the trap depths and that of the half widths was detected. The charge densities after irradiation before heating of the taps responsible for the high temperature glow peaks (T>240 deg C) show a LET-dependence. (author).

Energy Technology Data Exchange (ETDEWEB)

Measurements on laser shock compressed aluminium using the EXAFS (Extended X-ray Absorption Fine Structure) technique on the Al K-edge are described. Two methods of analysis of this data were used for the determination of density: the standard EXAFS technique using Fourier transforms and curve fitting, and a method based on a bandstructure calculation of the absorption spectra as a function of compression. These two techniques give results which are in fairly good agreement with each other and also with a hydrodynamic simulation of the experiment. The ion correlation parameter is estimated and shows that two-sided laser irradiation of aluminium foils produces a dense plasma which is strongly coupled. (author).

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The distributions of the effective numbers of 6q-fluctons in the energy, momentum and distance to the center of mass of nucleus are studied. Many characteristics of these distributions are shown to be universal, i.e. independent of the flucton size. The saturation of the flucton density in A > 80 nuclei and other peculiarities are found, which define different behavior of the effective numbers of fluctons and deuterons. This fact provides an explanation of the known underestimate by a factor of 1.5-6 of the cross sections of hard inclusive (p, p'd) process on nuclei calculated in the quasi-elastic approximation.

Energy Technology Data Exchange (ETDEWEB)

Excitation transfer between the 3S[sub 1/2] states of the lithium isotopes [sup 6]Li and [sup 7]Li is measured in a thermionic diode. The 3S level is excited by off-resonant two-photon transitions with a single mode cw laser. The relative densities of the directly excited and collisionally populated levels are probed by further laser excitation to the 12P levels. An energy transfer cross section of 585 A[sup 2] [+-] 160 A[sup 2] is found at the experimental temperature of about 850 K. A simple semiclassical calculation yields a cross section of 450 A[sup 2]. (orig.)

Science.gov (United States)

In this paper, model analysis into the time-dependent transmembrane potential at the outer cell membrane is presented, for applied high-intensity electric pulses having durations in the nanosecond range or smaller. It is argued that the frequency-dependent dielectric response of cell membranes could be used to advantage for stronger bioeffects by employing shorter pulses. Our model calculations predict faster transmembrane voltages and larger electroporation densities for a given external energy with pulse durations in the subnanosecond regime. This temporal regime would be used, for example, in the electrotherapy of mixed cell ensembles having different dielectric response properties. PMID:21937300

Energy Technology Data Exchange (ETDEWEB)

Leakage of CO{sub 2} and displaced brine from geologic carbon sequestration (GCS) sites into potable groundwater or to the near-surface environment is a primary concern for safety and effectiveness of GCS. The focus of this study is on the estimation of the probability of CO{sub 2} leakage along conduits such as faults and fractures. This probability is controlled by (1) the probability that the CO{sub 2} plume encounters a conductive fault that could serve as a conduit for CO{sub 2} to leak through the sealing formation, and (2) the probability that the conductive fault(s) intersected by the CO{sub 2} plume are connected to other conductive faults in such a way that a connected flow path is formed to allow CO{sub 2} to leak to environmental resources that may be impacted by leakage. This work is designed to fit into the certification framework for geological CO{sub 2} storage, which represents vulnerable resources such as potable groundwater, health and safety, and the near-surface ...

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

International Nuclear Information System (INIS)

Monte Carlo simulation of beam modifiers such as physical wedges and compensating filters has been performed with a rectilinear voxel geometry module. A modified version of the EGS4/DOSXYZ code has been developed for this purpose. The new implementations have been validated against the BEAM Monte Carlo code using its standard component modules (CMs) in several geometrical conditions. No significant disagreements were found within the statistical errors of 0.5% for photons and 2% for electrons. The clinical applicability and flexibility of the new version of the code has been assessed through an extensive verification versus dosimetric data. Both Varian multi-leaf collimator (MLC) wedges and standard wedges have been simulated and compared against experiments for 6 MV photon beams and different field sizes. Good agreement was found between calculated and measured depth doses and lateral dose profiles along both wedged and unwedged directions for different depths and ...

Energy Technology Data Exchange (ETDEWEB)

Experiments with fresh PWR fuel assemblies were performed to assess the {sup 252}Cf-source-driven frequency analysis method for measuring the subcriticality of spent fuel. The measurements at the Babcox and Wilcox Critical Experiments Facility mocked up between 17x17 fuel pins (single assembly) and a full array of 4961 fuel pins (about 17 fuel assemblies) in borated water with a fixed B concentration. For the full array, the B content of the water was varied from 1511 at delayed criticality to 4303 ppM. Measurements were done for various source-detector-fuel pin configurations; they showed high sensitivity of frequency analysis parameters to B content and fissile mass. Parameters such as auto and cross power spectral densities can be calculated directly by a more general model of the Monte Carlo code (MCNP-DSP). Calculation-measurement comparisons are presented. This model permits the validation of neutron and gamma ray ...

Energy Technology Data Exchange (ETDEWEB)

The two-dimensional Eulerian hydrodynamic code 2DE, with the shock initiation of heterogeneous explosive burn model called Forest Fire, is used to model numerically the interaction of jets of steel, copper, tantalum, aluminum, and water with steel, water, and explosive targets. The calculated and experimental critical condition for propagating detonation may be described by the Held V/sup 2/d expression (jet velocity squared times the jet diameter). In PBX 9502, jets initiate an overdriven detonation smaller than the critical diameter, which either fails or enlarges to greater than the critical diameter while the overdriven detonation decays to the C-J state. In PBX 9404, the jet initiates a detonation that propagates only if it is maintained by the jet for an interval sufficient to establish a stable curved detonation front. The calculated penetration velocities into explosives, initiated by a low-velocity jet, are significantly less than for ...

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 ...

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 ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Three studies of electrochemical current distribution have been performed using potential-theory models and the boundary-element method (BEM). (1) The steady-state behavior of cells with nonuniform current density over a passivating anode is investigated. Current distributions calculated for a test cell, using the measured kinetic behavior of nickel in acid-nickel-sulfate solution, are compared to estimates from earlier models. Although current-density profiles determined by weight loss on a segmented rotating cylinder agreed satisfactorily with model calculations, the measured length of the passive zone exceeds the theoretical value. The model's applicability to anodic protection is demonstrated for a stainless-steel sulfuric-acid holding tank. (2) A model is established to describe the effects of attached bubbles on the potential drop at gas-evolving electrodes including: (1) ohmic ...

Energy Technology Data Exchange (ETDEWEB)

Rock fracture characterization documents a total of 1496 fractures in unit 2 of the Tshirege Member of the Bandelier Tuff along 6013 feet of Los Alamos Canyon`s north wall adjacent to Operational Unit 1098. Geologically termed joints, these fractures likely owe their primary origin to brittle failure during the cooling contraction of the tuff after its emplacement nearly 1 million years ago. Subsequent tectonic movement along the Pajarito Fault system has modified fracture strikes, dips, apertures, and linear density. From a background linear density of approximately 20 fractures per 100-foot interval along the canyon wall, fracture density increases to values in excess of 50 fractures per 100-foot interval in a zone at and immediately east of the Omega West reactor building TA-2-1. This increase in fracture density is coincident with the mapped trace of the Guaje Mountain Fault (GMFZ) that apparently ...

Energy Technology Data Exchange (ETDEWEB)

MAGMA is a FORTRAN computer code designed to viscous flow in in situ vitrification melt pools. It models three-dimensional, incompressible, viscous flow and heat transfer. The momentum equation is coupled to the temperature field through the buoyancy force terms arising from the Boussinesq approximation. All fluid properties, except density, are assumed variable. Density is assumed constant except in the buoyancy force terms in the momentum equation. A simple melting model based on the enthalpy method allows the study of the melt front progression and latent heat effects. An indirect addressing scheme used in the numerical solution of the momentum equation voids unnecessary calculations in cells devoid of liquid. Two-dimensional calculations can be performed using either rectangular or cylindrical coordinates, while three-dimensional calculations use rectangular coordinates. All ...

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 ...

CERN Document Server

We propose to investigate the in-medium properties of vector $\\omega$ mesons at the normal nuclear density in Ap(pA) collisions and at higher density in AA collisions at the ITEP accelerator facility TWAC. Using of the inverse Ap kinematics will permit us to study the $\\omega$ meson production in a wide momentum interval included the not yet explored range of small meson momenta relative to the projectile nuclei where the mass modification effect in nuclear matter is expected to be the strongest. Momentum dependence of the in-medium $\\omega$ meson width will be studied in the traditional pA kinematics. We intend to use the electromagnetic calorimeter for reconstruction of the $\\omega$ meson invariant mass by detecting photons from the $\\omega \\to \\pi^{0}\\gamma \\to 3\\gamma$ decay. The model calculations and simulations with RQMD generator show feasibility of the proposed experiment. Available now intensity of the ...

Energy Technology Data Exchange (ETDEWEB)

Proof-of-principle experiments are reported for a new concept in electrically rechargeable zinc-air battery. The zinc electrode is a porous flow-thru type using a copper foam metal substrate with zinc deposition onto the foam metal from concentrated zincate electrolyte (as used in zinc-slurry type batteries). The bifunctional air electrode employs low-cost materials, being fabricated entirely from carbon-based precursors and small amounts of nickel and/or cobalt oxide. Corrosion measurements on the graphite materials in the air electrode indicate sufficient corrosion resistance for 8000 h life on charge. A prototype single cell was constructed having 1.5 Ah capacity producing 1.2 V discharge -2.0 charge at the three hour rate and has produced stable voltages for more than 150 cycles. Based on the 1.5 Ah prototype characteristics, design calculations for a 32 kWh battery project an energy density of about 110 Wh/kg, peak power ...

International Nuclear Information System (INIS)

In the framework of the development of burnup calculation method for commercial fast reactors, a sensitivity analysis was carried out to clarify the dependence of fuel burnup characteristics on nuclear data libraries (NDLs). The following NDLs were compared: JEF-2.2, ENDF/B-VI Release 5, JENDL-3.2 and JENDL-3.3. The NDL-dependence of material balance for main heavy metal nuclides ("2"3"5U, "2"3"8U, "2"3"9Pu, "2"4"0Pu and "2"4"1Pu) was small, since the number densities at the end of one-cycle burnup did not change over 1 or 2% among the above-mentioned libraries. Relatively large differences were found for minor actinide nuclides, especially for "2"3"6U, "2"3"7Np, "2"4"2"mAm, "2"4"3Am and curium isotopes. The number densities for these nuclides after burning up showed remarkable NDL-dependence over 5% through 50%. A burnup sensitivity analysis system based on the generalized perturbation theory enabled us to find out ...

Energy Technology Data Exchange (ETDEWEB)

A G-matrix, derived from a meson-exchange potential in nuclear matter, is applied to finite, semi-magic nuclei. For the open shell the broken-pair model, which can accommodate many single-particle levels, is used. The excitations of the closed shell are treated as particle-hole states. Energy spectra and electromagnetic transition densities are calculated for /sup 88/Sr and /sup 58/Ni. The energies of the non-collective states are well described. Pairing correlations in the ground state have almost the correct strength in a multishell model space. To improve the energies of the collective 2/sup +/ and 3/sup -/ states the inclusion of core-polarisation effects in the force is required. Transition charge densities for collective states become strongly surface-peaked by core-polarisation effects, as is observed in experiments. The effects of pairing correlations and core polarisation on the magnetic form factor of the 3.486 ...

Energy Technology Data Exchange (ETDEWEB)

IMRT with inverse planning allows simultaneous integrated boost strategies that exploit the heterogeneous dose distribution within the planning target volumes (PTVs). In this scenario, the location of cold spots within the target becomes a crucial issue and has to be related to the distribution of the clonogenic cell density (CCD). The main aim of this work is to provide the means to calculate the optimal prescription dose in a relative inhomogeneous dose distribution. To achieve this, the prescription dose has to be assigned to obtain the same tumor control probability (TCP) as the ideal homogeneous distribution, taking into account different CCDs in different PTVs (i.e. visible and subclinical regions). An adapted formulation of the linear-quadratic model, within the F-factor formalism, has been derived to preserve a chosen TCP value for the whole target volume. The F-factor has been investigated to show its potential applications in clinical ...

International Nuclear Information System (INIS)

The purpose of this work was to study and quantify the differences in dose distributions computed with some of the newest dose calculation algorithms available in commercial planning systems. The study was done for clinical cases originally calculated with pencil beam convolution (PBC) where large density inhomogeneities were present. Three other dose algorithms were used: a pencil beam like algorithm, the anisotropic analytic algorithm (AAA), a convolution superposition algorithm, collapsed cone convolution (CCC), and a Monte Carlo program, voxel Monte Carlo (VMC++). The dose calculation algorithms were compared under static field irradiations at 6 MV and 15 MV using multileaf collimators and hard wedges where necessary. Five clinical cases were studied: three lung and two breast cases. We found that, in terms of accuracy, the CCC algorithm performed better overall than AAA compared to VMC++, but AAA ...

Energy Technology Data Exchange (ETDEWEB)

Ion neoclassical transport with finite orbit width dynamics is calculated over whole poloidal cross section by using accurate {delta}f method which employs an improved like-particle collision operator and an accurate weighting scheme to solve drift kinetic equation. Ion thermal transport near magnetic axis shows a great reduction from its conventional neoclassical level due to non-standard orbit topology, like that of previous {delta}f simulation. On other hand, the direct particle loss from confinement region may strongly increase ion energy transport near the edge. It is found that ion parallel flow near the axis is also largely reduced due to non-standard orbit topology. In the presence of steep density gradient, ion thermal conductivity is significantly reduced, and an ion particle flux is driven by self-collision alone. (author)

British Library Electronic Table of Contents (United Kingdom)

An unsymmetrical squaraine dye which contains an arylamino group was synthesized and used in dye-sensitized solar cells. The molar extinction coefficient of the dye is 77793 M-1 cm-1. Because our synthesized molecule may have no diradical character or the contribution of the diradicaloid component to resonance is quite small, the newly designed squaraine dye has a maximum absorption at 546 nm in the visible region compared with the NIR squaraine sensitizers. Cyclic voltammetry and time dependent density function theory calculation were accomplished to scrutinize the sensitized performance of the dye. Meanwhile, the novel sensitizer has been used to sensitize nanocrystalline TiO2-based solar cell. Under standard global AM 1.5 solar conditions, the squaraine dye-sensitized cell gives a short...

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...

Science.gov (United States)

We report results of measurements and analysis of the heat capacity of MnSi. The measurements included data collection at a magnetic field of 4T, which suppresses strongly the longitudinal spin fluctuations and the phase transition. To analyze the experimental data, calculations of the phonon spectrum and phonon density of states in MnSi were performed. Inelastic neutron scattering with a polycrystalline sample of MnSi was used to validate the computational results. The combination of the experimental and theoretical data turned out to be decisive in revealing some hidden features of the thermal excitations in MnSi. In particular, the analysis of the available data led conclusively to the existence of a negative contribution to the heat capacity and entropy in MnSi at T>Tc, implying that a specific spin ordering process did occur in the paramagnet phase of MnSi.

International Nuclear Information System (INIS)

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

DEFF Research Database (Denmark)

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

Energy Technology Data Exchange (ETDEWEB)

Resonant inelastic x-ray scattering (RIXS) with soft x-rays is uniquely suited to study the elec-tronic structure of a variety of materials, but is currently limited by low (fluorescence yield) count rates. This limitation is overcome with a new high-transmission spectrometer that allows to measure soft x-ray RIXS"maps." The S L2,3 RIXS map of CdS is discussed and compared with density functional calculations. The map allows the extraction of decay channel-specific"absorp-tion spectra," giving detailed insight into the wave functions of occupied and unoccupied elec-tronic states.

International Nuclear Information System (INIS)

The concept of the self-focusing plasma lens in various beam-plasma interaction regimes is reviewed. We found that in order for current neutralization to occur, it is only necessary to attain the condition k_p#sigma#_x approx-gt 1, and not k_p#sigma#_y approx-gt 1, for flat beams. This helps to substantially reduce the required plasma density for beamstrahlung suppression. We also report on a recent calculation on the detector backgrounds induced by a plasma lens. It is shown that these backgrounds are within the tolerance of all major components in a NLC-like detector. Finally, one other potential application of plasma lens for #gamma##gamma# colliders is discussed.copyright American Institute of Physics.

Energy Technology Data Exchange (ETDEWEB)

Real-time neutron radiography was demonstrated to be a viable and useful tool in studying water flow in unsaturated media. The experiment was designed to test the method for following water flow. The wetting front advance, water-flow patterns, and neutron attenuation density were observed in a 7.7-cm diameter sand column. The advance was fit with a simple i = A t/sup B/ equation yielding an excellent correlation. Theoretical calculations presented estimate the minimum and maximum detectable water content in various sizes of columns. The ability of real-time neutron radiography to allow both qualitative and quantitative spatial and time measurements to be made in an nonintrusive manner was demonstrated.

Science.gov (United States)

In this paper we study theoretically a pulsed corona discharge plasma in air at atmospheric pressure. A self consistent one-dimensional model, using a flux-corrected transport numerical scheme, is presented to achieve it. The charged particle kinetics in this model are described by one-dimensional continuity equations coupled with Poisson's equations. The spatio-temporal local field, charge density variations and the velocity profile of an ionizing front are calculated to describe the dynamical behavior of corona discharge plasmas. The simulation results of a wire-in-cylinder corona discharge plasma explain the physical mechanisms of discharge processes. These results may also be apply to obtain the optimizing parameters for designing the plasma reactor.

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

A study has been made of the colour reaction involved in the interaction or rare-earth elements with the reagent orthanyl K, the optimum conditions for the reaction being: pH=4.0-4.5 and lambda=660-670 nm. The ratio of components in the complex is Me:R=1:2. Consideration of the relative optical density values of the complex solutions as a function of the serial number of the rare-earth elements made it possible to recommend orthanyl K as a selective reagent for determining La, Ce, Pr and Nb in a mixture of Tu, Yb, Lu and Y oxides. The molar extinction coefficients, the sensitivity of the reaction and the concentration limits where Beer's law applies were calculated. Lanthanum was determined in a binary mixture with thulium and yttrium. (author).

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)

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

The energy, angular momentum, and distance (measured from the center of mass of the nucleus) distributions of the effective number of 6/ital q/-fluctons are investigated and it is shown that many of the characteristics of these distributions are universal, i.e., independent of the flucton size. ''Saturation'' of the flucton density in nuclei with mass /ital A//approx gt/80 and certain other features that determine the difference between the behaviors of the effective numbers of fluctons and deuterons are reported. This is used to explain the well known underestimation (by a factor of 1.5--6) of the cross section for the hard inclusive (/ital p/, /ital p/'/ital d/) process on nuclei calculated in the quasielastic formalism. See S. G. Kadmenskii and V. I. Furman, /ital Alpha/ /ital decay/ /ital and elated/ /ital nuclear/ /reactions/ (in Russian), Energoatomizdat, Moscow, 1985.

CERN Document Server

Neutron stars are sensitive laboratories for testing general relativity, especially when considering deviations where velocities are relativistic and gravitational fields are strong. One such deviation is described by dynamical, Chern-Simons modified gravity, where the Einstein-Hilbert action is modified through the addition of the gravitational parity-violating Pontryagin density coupled to a field. This four-dimensional effective theory arises naturally both in perturbative and non-perturbative string theory, loop quantum gravity, and generic effective field theory expansions. We calculate here Chern-Simons modifications to the properties and gravitational fields of slowly spinning neutron stars. We find that the Chern-Simons correction affects only the gravitomagnetic sector of the metric to leading order, thus introducing modifications to the moment of inertia but not to the mass-radius relation. We show that an observational determination ...

International Nuclear Information System (INIS)

Molecular cluster predictions for electronic energy levels, wave functions, momentum densities, and Compton profiles of VO and VO_2 are examined within the Hartree-Fock-Slater model. VO_6 clusters are treated in O/subh/, D_4/subh/, and D_2/subh/ symmetry to obtain quantitative relations between distortion parameters and level shifts and splittings. Effects of the crystal environment are taken into account by a potential field. Results for VO are consistent with the augmented plane-wave band calculation of Mattheiss and x-ray emission data; the VO_2 levels are in good agreement with x-ray photoelectron spectroscopy data. A sizable anisotropy is predicted for the Compton profile of VO and VO_2.

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The real parts of the optical model potentials for 104 MeV alpha-particle and 156 MeV "6Li ion scattering from "4"0,"4"8Ca are calculated in terms of folding model approaches. The validity of different procedures is tested by comparing the differential cross section predictions with experimental data measured with high angular accuracy. It is found that a refined folding potential accounting for density dependence of an effective nucleon-nucleon interaction is appropriate for alpha particle scattering without any parameter adjustment. However, for "6Li ion scattering renormalization of the depth of the real potentials is necessary. (orig.).

Energy Technology Data Exchange (ETDEWEB)

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 ...

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Flow fields, temperature distributions, and particle trajectories in a 2-stage entrained-flow gasifier are calculated using a CFD code, FLUENT. Realizable k- {epsilon} model is used as a turbulent model. Because of swirling flow there appear recirculation regions near the burners. The characteristics of flow fields and temperature distributions in the gasifier are dependent on the swirl number of the system. Mean residence time of the particles in the reductor is inversely proportional to particle size, particle density and swirl number. As the swirl number is increasing, the particles injected from the combustor burners approach the wall near the combustor burners, which prevents the particles from entering the reductor and thus attaching the reductor wall. If the lower combustor burner angle is larger than the higher combustor burner angle for a given swirl number, the particles may move toward the reductor and cause ash/slag deposition ...

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A brief comparative review of possible mercury free fluorescent lighting technologies is presented, including rare-gas positive column discharges, molecular discharges, and dielectric barrier discharges. Detailed experimental results on xenon positive column discharges will then be considered. In order to judge whether xenon-based discharges are a viable UV source it is necessary to measure the radiant emittance (power per unit area) for the vacuum ultraviolet (VUV) resonance xenon emission at 147 nm. Two techniques to determine the VUV radiant emittance have been developed and applied to xenon discharges. One method combines the measured resonance level density using absorption spectroscopy and a calculation of the trapped decay rate for the resonance radiation to arrive at the radiant emittance at 147 nm. A second method utilizes a direct measurement of the radiance (power per unit area per unit solid angle) at 147 nm using a calibrated VUV ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

The {sup 252}Cf-source-driven frequency analysis method can be used for measuring the subcritical neutron multiplication factor of arrays of LWR fuel and as little as a single PWR fuel assembly. These measurements can be used to verify the criticality safety margins of spent LWR fuel configurations and thus could be a means of obtaining the information to justify burnup credit for spent LWR transportation/storage casks. In addition, the data can be used to validate calculational methods for criticality safety. These measurements provide parameters that have a higher sensitivity to changes in fissile mass than neutron multiplication factor and thus serve as a better test of calculational methods. The analysis have also shown that measurement of the cross power spectral density (CPSD) between detectors on one side of a single fuel assembly and an internal or external {sup 252}Cf source driving the fission chain multiplication ...

International Nuclear Information System (INIS)

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

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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.

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Youngkwang Unit 3,4 and Ulchin Unit 3 and 4 have had problem of the KSNP Steam Generator due to a severe fretting wear on the tube. In particular, the wears were localized and concentrated in the upper part of U-bend of the Central Cavity region. At the upper tube bundle Central Cavity, the fluid flow velocities and void fraction are very high, because the steam is made by high heat transfer at secondary region. Also, this region is affected easily by fretting wear due to it's unsupported span is longer than another regions. The fretting wear is assumed to be result of Flow-Induced Vibration (F. I. V), which can occur by many mechanisms. EFDP was added to UCN 5,6 for prevent fretting wear by the SEC LCC and DSHIC, a company of design and manufacture of the steam generator, respectively. In order to evaluate the efficacy of EFDP, ANSYS and ATHOS-3 Code were used. From sensitivity analysis and calculation results, Density and Velocity ...

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

In the groundwater flow modelling part of this work the effective dilution volume in the well scenario was estimated by means of transient simulations of groundwater flow and transport, which are coupled due to the varying salinity. Both deep, drilled wells and shallow surface wells in the vicinity of the repository were considered. The simulations covered the time period from the present to 1000 years after the present. Conceptually the fractured bedrock consists of planar fracture zones (with a high fracture density and a greater ability to conduct water) and the intact rock (in which the fracture density and the hydraulic conductivity are low). For them the equivalent-continuum model was applied separately. Thus, the fractured bedrock was considered as piecewise homogeneous (except for the depth dependence) and isotropic continuum with representative average characteristics. A generic simulation model for groundwater flow and solute ...

International Nuclear Information System (INIS)

Different technological procedures used for the chemical mining of uranium differ for one thing with a level of the deposit exploitation and for another with the expenditures. It is necessary to find out the highest acceptable value of the costs per unit of production - limit unit costs. This criterion serves both for selection of the minable parts of deposit, and for determination of the exploitation level of the deposit parts. The paper describes a calculation of the costs and their decomposition into the fixed and variable costs. An evaluation of the different variants of the deposit exploitation is based on the variable costs, expressed in the dependence on the parameters of technological procedure. These parameters are either primary, e.g. density of the wells or dosage of reagents, or secondary, e.g. the uranium production. A relation between primary and secondary variables is defined by the technological models. The first economic ...

International Nuclear Information System (INIS)

The purpose of this work was to study and quantify the differences in dose distributions computed with some of the newest dose calculation algorithms available in commercial planning systems. The study was done for clinical cases where large density inhomogeneities were present. Three dose algorithms were used: a pencil beam like algorithm, the anisotropic analytic algorithm (AAA), a convolution superposition algorithm, collapsed cone convolution (CCC) and a Monte Carlo program, voxel Monte Carlo (VMC++). The dose calculation algorithms were compared under static field irradiations at 6 MV and 15 MV using multileaf collimators and hard wedges where necessary. Five clinical cases were studied: three lung and two breast cases. We found that the CCC algorithm performed overall better than AAA compared to VMC++, but AAA remains an attractive option for routine use in the clinic due to its short computation times. Dose ...

Science.gov (United States)

Over the recent years the nuclear structure around the N = 50 shell closure, which is very pronounced in the strontium and zirconium isotopes, has been the subject of extensive experimental and theoretical work. On the proton side Z = 38 and Z = 40 provide fairly closed sub-shells. In the strontium isotopes the lg/sub 9/2/ neutron shell is closed at /sup 88/Sr, supplying relatively pure neutron-hole and neutron-particle states with large spectroscopic factors in /sup 87/Sr and /sup 89/Sr, as well as core-coupled states. The mass region is thus ideally suited to examine the transition from a correlated to an uncorrelated (chaotic.) excitational behavior. These two types are characterized e.g. by the density of excited states, the transition strengths, and the spectroscopic factors observed in transfer reactions. We conducted (n,..gamma..) and (d,p) reactions leading to /sup 87,88,89/Sr in addition to /sup 88/Sr(d,t)/sup 87/Sr and 24 keV neutron capture in /sup ...

Energy Technology Data Exchange (ETDEWEB)

This thesis presents the study of the slowing down process of fast heavy ions inside matter. In the framework of this research, the influence of the target density on the stopping process is investigated. Experiments on the interaction of {sup 48}Ca{sup 6+}-{sup 48}Ca{sup 10+} and {sup 26}Mg{sup 5+} ion beams with initial energies of 11.4 MeV/u and 5.9 MeV/u with solid and gaseous targets have been carried out. A novel diagnostic method, X-ray spectroscopy of K-shell projectile radiation, is used to determine the ion charge state in relation to its velocity during the penetration of fast heavy ions inside the stopping material. A spatially resolved analysis of the projectile and target radiation in solids is achieved for the first time. The application of low-density silica aerogels as stopping media provided a stretching of the ion stopping length by 20 - 100 times in comparison with solid quartz. The Doppler Effect observed on the projectile ...

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An extensive study of the effects of correlations on both charged and neutral current weak interaction rates in dense matter is performed. Both strong and electromagnetic correlations are considered. The propagation of particle-hole interactions in the medium plays an important role in determining the neutrino mean free paths. The effects due to Pauli blocking and density, spin, and isospin correlations in the medium significantly reduce the neutrino cross sections. As a result of the lack of experimental information at high density, these correlations are necessarily model dependent. For example, spin correlations in nonrelativistic models are found to lead to larger suppressions of neutrino cross sections compared to those of relativistic models. This is due to the tendency of the nonrelativistic models to develop spin instabilities. Notwithstanding the above caveats, and the differences between nonrelativistic and relativistic approaches ...

Energy Technology Data Exchange (ETDEWEB)

During the last years, boron dilution events with the potential of reactivity transients were an important issue of German PWR safety analyses. A coolant with a low-boron concentration could be collected in localized areas of the reactor coolant system, e.g., by separation of a borated reactor coolant into highly concentrated and diluted fractions (inherent dilution) which can occur during reflux-condenser heat transfer after a small break loss of coolant accident with a limited availability of the emergency core cooling systems. During the course of follower core assessments, TUV NORD SysTec appraises safety analyses of boron dilution events presented by the utilities. These analyses are based on the simulation of boron dilution and transport processes in conjunction with a number of dedicated experiments. The analyses demonstrate that boron dilution events cannot lead to recriticality of the core. Hence, the boron concentration at the core inlet has to be determined. TUV NORD SysTec ...

Science.gov (United States)

In this paper, we evaluate the performance of the 1- and 5-site models of methane on the description of adsorption on graphite surfaces and in graphitic slit pores. These models have been known to perform well in the description of the fluid-phase behavior and vapor-liquid equilibria. Their performance in adsorption is evaluated in this work for nonporous graphitized thermal carbon black, and simulation results are compared with the experimental data of Avgul and Kiselev (Chemistry and Physics of Carbon; Dekker: New York, 1970; Vol. 6, p 1). On this nonporous surface, it is found that these models perform as well on isotherms at various temperatures as they do on the experimental isosteric heat for adsorption on a graphite surface. They are then tested for their performance in predicting the adsorption isotherms in graphitic slit pores, in which we would like to explore the effect of confinement on the molecule packing. Pore widths of 10 and 20 A are chosen in this investigation, and ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

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)

The accuracy of dose computation within the lungs depends strongly on the performance of the calculation algorithm in regions of electronic disequilibrium that arise near tissue inhomogeneities with large density variations. There is a lack of data evaluating the performance of highly developed analytical dose calculation algorithms compared to Monte Carlo computations in a clinical setting. We compared full Monte Carlo calculations (performed by our Monte Carlo dose engine MCDE) with two different commercial convolution/superposition (CS) implementations (Pinnacle-CS and Helax-TMS's collapsed cone model Helax-CC) and one pencil beam algorithm (Helax-TMS's pencil beam model Helax-PB) for 10 intensity modulated radiation therapy (IMRT) lung cancer patients. Treatment plans were created for two photon beam qualities (6 and 18 MV). For each dose calculation algorithm, patient, and beam ...

International Nuclear Information System (INIS)

Relative densities and relative massic heat capacities have been measured for aqueous solutions of Y(ClO_4)_3, Yb(ClO_4)_3, Dy(ClO_4)_3, and Sm(ClO_4)_3 at T=(288.15,298.15,313.15, and 328.15) K and p=0.1 MPa. These measurements were made in the concentration range 0.01624#<=#m/(mol#centre dot#kg"-"1)#<=#0.41822 using a Sodev 02D Vibrating Tube Densimeter and a Picker Microflow Calorimeter, respectively. To counter the potential effects of hydrolysis, aqueous solutions of the investigated salts were acidified with perchloric acid. After correcting for the presence of the acid, the measured properties were used to calculate apparent molar volumes and apparent molar heat capacities for solutions of the perchlorate salts in water. The calculated apparent molar properties were modeled at each investigated temperature using Pitzer ion interaction equations to produce estimates of apparent molar volumes and heat capacities ...

International Nuclear Information System (INIS)

A systematic study for the materials design of III-V and II-VI compound-based ferromagnetic diluted magnetic semiconductors is given based on ab initio calculations within the local spin density approximation. The electronic structures of 3d-transition-metal-atom-doped GaN and Mn-doped InN, InP, InAs, InSb, GaN, GaP, GaAs, GaSb, AlN, AlP, AlAs and AlSb were calculated by the Korringa-Kohn-Rostoker method combined with the coherent potential approximation. It is found that the ferromagnetic ground states are readily achievable in V-, Cr- or Mn-doped GaN without any additional carrier doping treatments, and that InN is the most promising candidate for high-T_C ferromagnet. A simple explanation of the systematic behavior of the magnetic states in III-V and II-VI compound-based diluted magnetic semiconductors is also given. It is also shown that V or Cr-doped ZnS, ZnSe, and ZnTe are ferromagnetic without p- or n-type doping ...

International Nuclear Information System (INIS)

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

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This report presents a probabilistic safety assessment of radioactive doses as consequences from accident scenarios to complement the deterministic assessment presented in the Waste Isolation Pilot Plant (WIPP) Safety Analysis Report (SAR). The International Council of Radiation Protection (ICRP) recommends both assessments be conducted to ensure that ''an adequate level of safety has been achieved and that no major contributors to risk are overlooked'' (ICRP 1993). To that end, the probabilistic assessment for the WIPP accident scenarios addresses the wide range of assumptions, e.g. the range of values representing the radioactive source of an accident, that could possibly have been overlooked by the SAR. Routine releases of radionuclides from the WIPP repository to the environment during the waste emplacement operations are expected to be essentially zero. In contrast, potential accidental releases from postulated accident scenarios during waste ...

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.

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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 ...

International Nuclear Information System (INIS)

In this work, densities #rho#, speeds of sound u, and viscosities #eta#, have been measured over the whole composition range for the binary mixtures of diethylene glycol monomethyl ether (DEGMME), CH_3(OCH_2CH_2)_2OH with 1-hexanol, CH_3(CH_2)_5OH, 1-octanol, CH_3(CH_2)_7OH, and 1-decanol, CH_3(CH_2)_9OH at T = (293.15, 298.15, 303.15, and 308.15) K along with the properties of the pure components. By using the experimental values of #rho#, u, and #eta#, excess molar volume, V_m"E, deviations in viscosity, #DELTA##eta#, isentropic compressibility #kappa#_S, deviations in isentropic compressibility #DELTA##kappa#_S, deviations of the speed of sound #DELTA#u, have been calculated. The viscosity results have also been analysed in terms of some semi-empirical equations.

Energy Technology Data Exchange (ETDEWEB)

A non-linear analysis of a Cerenkov maser is presented. The system consists of a ring configuration of a cylindrical waveguide filled with a dielectric material. A single transverse-magnetic mode is assumed to propagate in the system. A low-density pencil electron beam travels in part of the ring, confined by a strong axial magnetic field. Using the single-particle description for the beam and the wave equation for the field, we obtain a set of two coupled non-linear differential equations describing the slowly varying amplitude and phase of the electromagnetic mode. The gain per path is assumed to be small and the spatial growth of the field is neglected. The resulting time dependent amplitude includes the exponential gain of the linear stage and the saturation to its maximum value. The time dependent frequency is also calculated. The two equations are combined to a single Van Der Pol equation with a non-linear restoring force. This ...

British Library Electronic Table of Contents (United Kingdom)

Geometry optimizations of the quinoline-based platinum (II) complexes (1-R, 2-R) and their related calculations on excited state energies, electronic absorption spectra and orbital populations have been carried out by the hybrid density functional theory (DFT) and its time-dependent approach (TD-DFT). The solvent effects on excitation energies are taken into account using the conductor-like polarizable continuum model (C-PCM). The red-shifted level of absorption bands, energy gaps between the singlet ground state (S1) and the first triplet excited state (T1) for each examined complex have been elaborated thoroughly as well. We find that the quinoline-8-thoil (ligand 2) induces much more significant red-shifted level than 8-hydroxyquinoline (ligand 1), and singlet-triplet splitting energy g...

Science.gov (United States)

In March 2007 in-pile testing of LEU U-Mo full-size IRT type fuel elements was started in the MIR reactor. Four prototype fuel elements for Uzbekistan WWR SM reactor are being tested simultaneously - two of tube type design and two of pin type design. The dismountable irradiation devices were constructed for intermediate reloading and inspection of fuel elements during reactor testing. The objective of the test is to obtain the experimental results for determination of more reliable design and licensing fuel elements for conversion of the WWR SM reactor. The heat power of fuel elements is measured on-line by thermal balance method. The distribution of fission density and burn-up of uranium in the volume of elements are calculated by using the MIR reactor MCU code (Monte-Carlo) model. In this paper the design of fuel elements, the technique, main parameters and preliminary results are described. (author)

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

The temperature dependence of T/sub 1/ spin-lattice relaxation time on /sup 51/V, /sup 69/Ga, /sup 71/Ga and Knight shift on /sup 51/V and /sup 29/Si nuclei in polycrystalline V/sub 3/Si, V/sub 3/Ga, V/sub 3/Ge and in the monocrystal V/sub 3/Si in normal state is investigated. For V/sub 3/Si and V/sub 3/Ga a rapid growth (T/sub 1/T)/sup -1/ is observed with temperature decrease while for V/sub 3/Ge the maximum (T/sub 1/T)/sup -1/ at T approximately equal to 60 K has been found. The temperature dependence peculiarities have been discussed on the basis of theoretical models available and zone structure calculations for A-15 compounds. The T/sub 1/ anisotropy and possibility of its experimental discovery are considered. Anisotropic contribution in (T/sub 1/T)/sup -1/ and contributions of d states of different symmetries into the electron state density at the Fermi level are estimated for V/sub 3/Si from T/sub 1/ measurements.

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)

The characteristics of diesel fuel jet atomization in carburetors depend on dynamic viscosity (v) density (d) and surface tension (st) of fuel, grouped in the combined functions v/d; st/v and st/d. Values of these combined functions for binary mixtures of a farm diesel fuel with a crude vegetable oil (sunflower, soybean, cotton and foot-cake olive oils) as well as with a used frying olive oil, are calculated. Three different diesel fuels have been studied. Combined function values of these mixtures are influenced by the characteristics of their diesel fuel. Mixtures containing less than 24% of any studied crude oils show kinematic viscosity values at 40 degrees C not exceeding 5.8 squared millimeters/s. This value is the higher limit for typical United States farm diesel fuels, according to specifications of the Cummins Engine Company. Mixture with 21% of the used frying olive oil shows at 40 degrees C this kinematic viscosity.