Science.gov (United States)

A method for the calculation of excitation functions and isomer ratios, for shape isomers, in heavy ion induced reactions is proposed. The calculated values of excitation functions and isomer ratios agree very well with the experimental values for the reaction /sup 238/U(/sup 11/B, alpha 3n)/sup 242/Am. (auth)

Energy Technology Data Exchange (ETDEWEB)

The excitation function of ({alpha},{ital xn}) reactions on {sup 191}Ir (abundance 37.3%) and on {sup 193}Ir (abundance 62.7%) has been measured for the 17--55 MeV alpha-particle bombarding energy range. The stacked foil activation technique and {gamma}-ray spectroscopy were used to determine the cross sections. The experimental data were compared with calculated values obtained by means of a geometry-dependent hybrid model. The initial exciton number {ital n}{sub 0}=4 with {ital n}=2, {ital p}=2, and {ital h}=0 gives the best agreements with the presently measured results. To calculate the excitation function theoretically a computer code was used. This set of excitation functions provides a data basis for probing the validity of combined equilibrium and preequilibrium reaction models in a considerable energy range.

International Nuclear Information System (INIS)

In a (p,p') study of "8"8Sr at Esub(p) = 201 MeV both a large resonance centered at 9.4 MeV excitation energy and the known 1"+ state at 3.486 MeV are excited. Several discrete states are observed in the resonance. The cross section of the whole resonance is 27% of a simple particle-hole prediction. The strength of the low-lying 1"+ state is only about 15% of that calculated from a wave function including core-polarization contributions, whereas (e,e') scattering finds about 50%. (orig.).

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The energy levels, wavelengths, oscillator strengths, Auger rates and level-to-level dielectronic recombination rate coefficients describing dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states are calculated. Our calculations are based on Dr. R.D. Cowan's semi-relativistic mass-velocity and Darwin corrections are included in the Hamiltonian, and the distorted-wave model is used for the calculation of free electron wavefunctions. In order to set the recombination rate coefficients on a level by level basis, in a manner compatible with detailed level population kinetics modelling of highly-stripped ions in plasma, the dielectronic recombination rate coefficients as a function of free electron temperatures are given in an analytical form, which is not only very convenient in practice, but also hopefully accurate compared with the exactly ...

International Nuclear Information System (INIS)

The penumbra of the profile function describing the nuclear collisions of relativistic heavy ions is related to the cross section for their producing a specific target-nucleus #gamma#-ray, sigmasub(#gamma#). The analysis assumes that the diffuse-edge diffraction model suffices to calculate the inelastic cross sections to the particle-stable states of the target nucleus. When the deformation lengths, deltasub(L) = #beta#sub(L)R, characterizing all important excitations are available from other experiments and the #gamma#-branching of these states is also known, the only unknown quantity determining sigmasub(#gamma#) is found to be the ratio of the diffuseness parameter of the profile function, d, to its radius, R. The most reliably determined values of d/R, for the target "4"0Ca, imply a rather wide penumbra, consistent with microscopic calculations. (orig.).

International Nuclear Information System (INIS)

Electron elastic and collisional excitation cross sections from the ground state of potassium are calculated using the noniterative integral-equation method of Henry, Rountree, and Smith [Comput. Phys. Commun. 23, 233 (1981)] in the electron energy range 4#<=#E#<=#200 eV. Configuration-interaction target wave functions that take account of correlation and polarization effects are used to represent the ground state and the six lowest excited states 4p "2P degree, 5s "2S, 3d "2D, 5p "2P degree, 4d "2D, and 6s "2S. Elastic and discrete excitation cross sections are obtained in a seven-state close-coupling (7CC) approximation. The 7CC elastic and excitation cross sections are compared and contrasted. Near threshold the elastic cross section dominates the resonance, 4s "2S#->#4p "2P degree, and the sum of the other remaining excitation ...

British Library Electronic Table of Contents (United Kingdom)

Transverse glow discharges in supersonic air and methane flows are studied both experimentally and theoretically. The experiments show that a diffuse volume discharge filling the whole cross section of the flow can easily be initiated in air, whereas a diffuse discharge in a methane flow shows a tendency to transition into a constricted mode. The electron transport coefficients (mobility and drift velocity) and the kinetic coefficients (such as collisional excitation rates of the vibrational levels of a methane molecule, as well as dissociation and ionization rates) are calculated by numerically solving the Boltzmann equation for the electron energy distribution function. The calculated coefficients are used to estimate the parameters of the plasma and the electric field in the positive co...

Energy Technology Data Exchange (ETDEWEB)

Excitation functions for {sup 201}Pb, {sup 202m}Pb, {sup 203}Pb and {sup 204m}Pb radionuclides which are formed via proton induced reactions with natural thallium target have been measured from their respective threshold (E{sub thr}) to 27.5 MeV using activation technique. Natural copper foils were used to monitor the cyclotron beam. The integral yields (MBq/{mu}A h) of the produced radionuclides were calculated from the measured excitation functions. The optimum proton energy range for the production of {sup 203}Pb with low amount of impurities is (16-10 MeV) after 5 h of EOB. The experimental cross-sections for {sup nat}Tl(p,xn) reactions were compared with the cross-sections recommended by the IAEA and with earlier published data when it was possible. (orig.)

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The Green's function method in the Quasiparticle Time Blocking Approximation is applied to nuclear excitations in {sup 132}Sn and {sup 208}Pb. The calculations are performed self-consistently using a Skyrme interaction. The method combines the conventional RPA with an exact single-particle continuum treatment and considers in a consistent way the particle-phonon coupling. We reproduce not only the experimental values of low-and high-lying collective states but we also obtain fair agreement with the data of non-collective low-lying states that are strongly influenced by the particle-phonon coupling. (orig.)

Energy Technology Data Exchange (ETDEWEB)

Formulae are obtained for the angular correlation function of inelastically scattered ..cap alpha.. particles and ..gamma.. quanta of a pure EL multipolarity, which are emitted by an excited nucleus, in the case of exchange processes, if distortions are introduced into the eikonal approximation. The matrix element of the exchange processes is considered as a coherent sum of contributions from two mechanisms: replacement and stripping of a heavy particle. Concrete calculations are performed for the reaction /sup 12/C(..cap alpha.., ..cap alpha..'..gamma..)/sup 12/C. The obtained results show that the developed formalism enables one to get an agreement between the theoretical angular correlation functions with the experimental data at reasonable values of the calculation parameters.

International Nuclear Information System (INIS)

Excitation functions (EFs) for the reaction "1"4"1Pr(#alpha#, n)"1"4"4Pm and "1"4"1Pr(#alpha#, 2n)"1"4"3Pm have been measured using "1"4"1Pr as a target up to 50 MeV #alpha#-particle energy. Stacked foil activation technique and #gamma#-ray spectroscopy using 100 cm"3 Ge (Li) detector, has been used. Excitation functions are also calculated theoretically using Blann's geometry dependent hybrid (GDH) model code ALICE-91, with and without inclusion of pre-equilibrium particle emission. It has been observed that high-energy tails of the EFs are dominated by pre-equilibrium reaction mechanism. With the accepted set of input parameter, initial exciton number n_0=4 (2p + 2n + 0h), a good qualitative agreement is found. However, quantitative agreement for this magic nucleus"1"4"1Pr is also good when theoretical calculations are normalized by a multiple factor of 0.5. ...

International Nuclear Information System (INIS)

There is an increasing interest in using radioisotopes of rare earth elements for internal radiotherapy and for imaging in nuclear medicine. "1"7"7Lu is one of the promising radionuclides. This article reports on the first measurements of the excitation function for the production of "1"7"7Lu with proton-beam energies up to 17 MeV on natural hafnium targets. The experimental cross sections for the reaction "n"a"tHf(p,x)"1"7"7Lu were obtained by the activation of a stacked-foil target and subsequent gamma spectrometry. Theoretical cross sections were calculated up to 35 MeV with the EMPIRE nuclear reaction model code. The measured and calculated cross sections were used for deriving the thick-target yields and for estimating the production of other nuclides than "1"7"7Lu. Measured production cross sections of "1"7"5","1"7"6","1"7"7","1"7"8Ta on the same target are also presented.

International Nuclear Information System (INIS)

... deuteron beams differential cross sections dwba excitation functions mev range

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)

Neutron scattering techniques have been used to measure the static structure and magnetic excitations in amorphous magnets. Sum rules and computer models are used to discuss the relationship between the static disorder and the shape of the excitation spectrum. Polarized beam measurements of chi''(Q,E) are compared to analytical theories and computer calculations for the magnetic excitations in amorphous ferromagnets.

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.)

Energy Technology Data Exchange (ETDEWEB)

The excitation function of the {sup 64}Ni({alpha},p){sup 67}Cu reaction was measured from threshold up to 24 MeV in order to investigate the possibility of production of the {beta}{sup -}-emitting therapeutic radioisotope {sup 67}Cu (T{sub 1/2}=61.9 h). Two stacks of thin metallic self-supporting foils of {sup 64}Ni (enrichment 77.8%) prepared by electrolytic deposition were irradiated by {alpha}-particle beams. The radioactivity was determined via HPGe detector {gamma}-ray spectrometry. Some {sup 67}Ga activity (which emits the same {gamma}-rays as {sup 67}Cu), formed via the {sup nat}Cu({alpha},x){sup 67}Ga process on trace copper impurity in the Ni foils, was also observed. Corrections were done for {sup 67}Ga activity contribution and for the {sup 67}Cu activity escape fraction from the thin Ni-foil. The maximum cross section of the {sup 64}Ni({alpha},p){sup 67}Cu reaction amounts to 34 mb at 22 MeV. The experimental results were compared ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

A spectroscopic study is performed for high spin states of "5"5Fe, "5"5Co and "5"7Ni. To populate the investigated residues with a relevant cross section, the fusion evaporation reactions of "3"0Si("2"8Si, 2pn)"5"5Fe, "3"0Si("2"8Si, 2pn)"5"5Co and "4He("5"4Fe, n)"5"7Ni were chosen. To identify the new #gamma# transitions and to build the energy level schemes, #gamma#-#gamma# coincidence techniques together with excitation functions were employed. Angular distributions and #gamma#-#gamma# angular correlations allowed us to assign the spin values of the nuclear states. The previous level scheme of "5"5Fe is extended into the region between 6.5-11 MeV of excitation energy, up to spin 27/2, while the yrast decay pathos of "5"7Ni and "5"5Co are reported here for the first time. Experimental data are fairly well reproduced by Glaudemans' shell model calculations. (orig.).

CERN Document Server

We investigate the influence of the turbulence forcing on the mass distributions of gravitationally unstable cores by postprocessing data from simulations of non-selfgravitating isothermal supersonic turbulence with varying resolution. In one set of simulations solenoidal forcing is applied, while the second set uses purely compressive forcing to excite turbulent motions. From the resulting density field, we compute the mass distribution of gravitationally unstable cores by means of a clump-finding algorithm. Using the time-averaged probability density functions of the mass density, semi-analytic mass distributions are calculated from analytical theories. We apply stability criteria that are based on the Bonnor-Ebert mass resulting from the thermal pressure and from the sum of thermal and turbulent pressure. Although there are uncertainties in the application of the clump-finding algorithm, we find systematic differences in ...

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A theoretical study of an exciton confined in a quantum ring is presented. The quantum ring is described as a two-dimensional circular quantum dot with a repulsive core, which is modelled with the help of two Gaussian functions. We have applied the variational method and investigated the evolution of the low-energy exciton spectrum with the change of the confinement potential. The calculations have been performed for the recently produced self-assembled ring-shaped InGaAs quantum dots. We have shown that the repulsive core strongly increases the radiative transition probability from the exciton ground state at the expense of the decreasing probability of the transitions from the excited states. This effect results from the orthogonality properties of the exciton wavefunctions, which are specific to the quantum-ring confinement potential. We have studied the characteristic features of the exciton spectrum, which can be used ...

International Nuclear Information System (INIS)

Experimental excitation functions for deuteron-induced reactions up to 20 MeV on high purity natural hafnium were measured with the activation method using a stacked foil irradiation technique. Metallic hafnium foils with thickness of 10 #mu#m were stacked together with 50 #mu#m thick aluminium and 12 #mu#m thick titanium foils. The aluminium foils served as energy absorber while the titanium foils were used to monitor the energy and intensity of the bombarding deuteron beam. From a detailed remeasurement of the complete excitation function of the "n"a"tTi(d,x)"4"8V monitor reaction it was possible to adopt the proper incident energy and beam intensity by comparing the results with the recommended values. High resolution off-line gamma-ray spectrometry was applied to assess the activity of each foil. From the measured activity independent and/or cumulative elemental or isotopic cross section data for ...

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

UK PubMed Central (United Kingdom)

Calcium ions represent universal second messengers within neuronal cells integrating multiple cellular functions, such as release of neurotransmitters, gene expression, proliferation, excitability,...Full Text Available

International Nuclear Information System (INIS)

The wave function of the Bianchi type-IX universe with small anisotropy is calculated using the Hartle-Hawking prescription.

International Nuclear Information System (INIS)

In the present work the excitation functions for the reactions "1"4"1Pr(#alpha#,n)"1"4"4Pm and "1"4"1Pr(#alpha#,2n)"1"4"3Pm have been measured experimentally below 50 MeV #alpha#-particle

Energy Technology Data Exchange (ETDEWEB)

Cross sections of proton-induced nuclear reactions on highly enriched {sup 192}Os were measured up to 66 MeV by using the stacked-foil irradiation technique. Excitation functions are presented for the reactions {sup 192}Os(p,n){sup 192}Ir, {sup 192}Os(p,3n){sup 190}Ir, {sup 192}Os(p,4n){sup 189}Ir, {sup 192}Os(p,5n){sup 188}Ir, {sup 192}Os(p,6n){sup 187}Ir and {sup 192}Os(p,7n){sup 186}Ir. No earlier experimental cross-section data could be found in the literature except for the {sup 192}Os(p,n){sup 192}Ir process. Our new experimental results are compared with theoretical predictions by means of the theoretical model code ALICE/ASH. Integral thick-target yield calculations were also performed for the {sup 192}Os(p,n){sup 192}Ir and {sup 192}Os(p,3n){sup 190}Ir reactions to evaluate the {sup 190}Ir contamination level, as a function of energy, in the case of {sup 192}Ir productions.

International Nuclear Information System (INIS)

A semirelativistic two-component extended linear augmented plane-wave k#centre dot#p method is described. In order to ensure a high accuracy of the k#centre dot#p method, it is necessary to include into the radial-basis set, which is used for the augmentation of the plane waves, functions that are neither solutions of the Schrodinger equation nor their energy derivatives. The usual scalar relativistic procedure, which is nonlinear in energy, is not applicable to such basis sets. As an alternative, we suggest an approximation to the Foldy-Wouthuysen Hamiltonian that produces an explicitly Hermitean matrix in the augmented plane wave representation. The technique is applied to the calculation of the full dielectric matrix and optical properties of palladium and platinum metals over the photon energy region up to 100 eV. Special attention is paid to the far ultraviolet absorption by the excitations of semicore Pd 4p and Pt 5p ...

International Nuclear Information System (INIS)

Inelastic scattering of #alpha#-particles in 22-24 MeV energy range on "1"8o o, "1"9f, "2"0Ne, "2"2Ne nuclei is investigated. Measurements of excitation functions were conducted for the beam of Leningrad University cyclo otron at several angles in 15-165 deg range of laboratory system with 2.5 deg spacing. The error of determining absolute cross sections equals +-20% for "2"2Ne and +-12% for other nuclei. Angular distributions have the differaction character, are similar in form for all nuclei, the values of differential cross- -sections don't exceed the rutherford values. The dependence of integral cross-sections on the energy of level excitation is similar to the exponential d dependence of cross-sections of production of the given element isotopes on the gergy difference of masses of final nuclear products in the reactions of deeply inelastic transfers with heavy ions. The observed isotopic effect in the value of ...

Science.gov (United States)

Cross sections for excitation induced by electron collision between low-lying 1s{sup 2}2s{sup 2}2p{sup 5} and 1s{sup 2}2s2p{sup 6} states of f-like selenium and from these states to singly excited states with the excited electron occupying the M shell have been calculated by relativistic distorted-wave Born procedures. The GRASP{sup 2} code was used for the atomic structure calculations. The continuum orbitals for the construction of continuum states were computed in the distorted-wave approximation, in which the distorted-wave potential used was the spherically averaged potential of the nucleus plus the potential of the bound electrons of the bound state. The cross sections for excitations were computed first by a 233-level multiconfiguration Dirac-Fock (MCDF) configuration expansion and then by a 279-level MCDF configuration expansion. The latter procedure, ...

Energy Technology Data Exchange (ETDEWEB)

In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large ...

International Nuclear Information System (INIS)

Raman scattering measurements of the Esub(g) and Tsub(2g) optical phonons in V"3Si, Nb"3Sn, V"3Ge, Cr"3Si, V"3Pt, and Nb"3Pt are presented and discussed in terms of interaction with interband electronic excitations. Data on superconducting Nb"3Sn is presented and modifications to the phonon spectral function and the spectrum of Raman active interband electronic excitations in the superconducting state are discussed. (orig.).

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 ...

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The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.

Energy Technology Data Exchange (ETDEWEB)

Excitation functions ({alpha},3n) and ({alpha},4n) for {sup 209}Bi have been measured up to 60 MeV {alpha}-particle energy. The excitation functions are measured at 15{alpha}-particle energies by a stack foil technique in two steps. Excitation functions for the above two reactions have been reported for the first time in the energy range from 40 to 60 MeV. The measured experimental values are compared with the geometry-dependent hybrid (GDH) model in which the emission of particles prior to the equilibrium decay is taken into account whenever the interaction of projectile with the target nucleus is considered. It is found that the compound nucleus decay mechanism alone is unable to explain the experimental trend of our data. The initial exciton number 4 with different configurations has been tested and it is concluded that the configuration (2n + 2p + 0h) gives ...

UK PubMed Central (United Kingdom)

In vivo two-photon imaging through the pupil of the primate eye has the potential to become a useful tool for functional imaging of the retina. Two-photon excited fluorescence images...Full Text Available

Science.gov (United States)

New sets of cross sections for the production of krypton isotopes from targets of Rb, Sr, Y, and Zr were constructed primarily on the bases of experimental excitation functions for Kr production from Y. These cross sections were used to calculate galactic-cosmic-ray and solar-proton production rates for Kr isotopes in the moon. Spallation Kr data obtained from ilmenite separates of rocks 10017 and 10047 are reported. Production rates and isotopic ratios for cosmogenic Kr observed in ten well-documented lunar samples and in ilmenite separates and bulk samples from several lunar rocks with long but unknown irradiation histories were compared with predicted rates and ratios. The agreements were generally quite good. Erosion of rock surfaces affected rates or ratios for only near-surface samples, where solar-proton production is important. There were considerable spreads in predicted-to-observed production rates of /sup 83/Kr, ...

International Nuclear Information System (INIS)

Non-anisotropic free energy is considered which under minimization yields two magnetic phases: a conical spin density wave and a low temperature conical cycloid. Using equations of motion, the excitation spectrum is studied. Knowing the nature of these excitations, the dielectric function as well as the fluctuation specific heat is computed and compared with the experimental spectrum. Due to the electromagnon going soft, the dielectric function (imaginary part) as well as the specific heat capacity show peaks at the temperature where ferroelectricity appears in the system.

Science.gov (United States)

Electron collisional data are required for population kinetics modeling and spectral predictions of highly ionized ions in high-temperature plasmas. Nickel-like ions are especially interesting for their potential use in soft X-ray laser schemes pumped by electron collisional excitation and recombination. For highly stripped ions of moderate to high Z, relativistic effects begin to play a role in the atomic-physics calculations. A relativistic multiconfigurational distored-wave model has been used for the calculation of electron excitation cross sections and rate coefficients between the 3s2 3p6 3d10 Ni-like Gd ground state and the singly excited states with an N-shell electron.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Perturbative approach to two-dimensional gravity and supergravity is considered. One-loop renormalization of the central charge of SL(2,R) Kac-Moody algebra is calculated perturbatively by functional integration and by explicit calculations of the Feynman diagrams. Also the wavefunction renormalization and the anomalous dimensions in the presence of gravity are calculated.

Energy Technology Data Exchange (ETDEWEB)

The electron scattering form factor for excitation of the 1/sup +/ state of /sup 88/Sr at 3.486 MeV has been calculated in the quasiparticle random phase approximation (QRPA). The disagreement between the data and restricted shell-model calculations can be explained in terms of the pairing correlations introduced by the QRPA; no ..delta..-h admixtures are required.

International Nuclear Information System (INIS)

The results of photoneutron spectra measurements for the reaction (#gamma#,n) on the Sr-88 nuclei near threshold are presented. The parameters of resonance levels, as well as radiative S_#gamma#"("1") and neutron S_n"("1") strength functions for transitions on the first excited level of Sr-87 were obtained. 2 refs.; 1 fig.; 1 tab.

Energy Technology Data Exchange (ETDEWEB)

Energy levels in N=50 nuclei are calculated allowing single-particle excitations from the p{sub 1/2} and g{sub 9/2} shells into the d{sub 5/2}, s{sub 1/2}, d{sub 3/2}, and g{sub 7/2} shells. Important parts of the interaction are determined by least-squares fits to known levels. Agreement with experiment is very good. The high-spin particle-hole states appear to be mainly yrast levels in mass 93 and higher, but are not in {sup 90}Zr. {copyright} {ital 1997} {ital The American Physical Society}

Energy Technology Data Exchange (ETDEWEB)

Data for the excitation of the 2/sub 1//sup +/ and 2/sub 2//sup +/ states in the /sup 88/Sr(p,p') reaction at 25 and 31 MeV indicate sustantial contributions from the interior of the nucleus, Microscopic DWBA calculations reproduce this and yield a fair description of the data. A detailed description, especially of the 2/sub 2//sup +/ state, is sensitive to the effective nucleon-nucleon interaction used and the non-locality of the optical potential, which are insufficiently known at present.

Science.gov (United States)

We study a two-level atom in interaction with a real massless scalar quantum field in a spacetime with a reflecting boundary. The presence of the boundary modifies the quantum fluctuations of the scalar field, which in turn modifies the radiative properties of atoms. We calculate the rate of change of the mean atomic energy of the atom for both inertial motion and uniform acceleration. It is found that the modifications induced by the presence of a boundary make the spontaneous radiation rate of an excited inertial atom oscillate near the boundary and this oscillatory behavior may offer a possible opportunity for experimental tests for geometrical (boundary) effects in flat spacetime. While for accelerated atoms, the transitions from ground states to excited states are found to be possible even in a vacuum due to changes in the vacuum fluctuations induced by both the presence of the boundary and the acceleration of atoms, ...

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The statistical {gamma}-spectra of highly excited even-even rare earth nuclei are simulated applying appropriate level density and strength function to a given nucleus. Hindrance effects due to K-conservation are taken into account. Simulations are compared to experimental data from the {sup 163}Dy({sup 3}He,{alpha}){sup 162}Dy and {sup 173}Yb({sup 3}He,{alpha}){sup 172}Yb reactions. The influence of the K quantum number at higher energies is discussed. 21 refs., 7 figs., 2 tabs.

International Nuclear Information System (INIS)

The form factor for excitation of the 1"+ state at 3.48 MeV in "8"8Sr by inelastic electron scattering has been measured for momentum transfers q = 0.24-0.62 fm"-"1. Neither its magnitude nor shape can be described employing the best available nuclear wave functions. We demonstrate with a schematic model that the observed reduction of the form factor may be understood by taking into account a renormalization of the M1-operator due to virtual #DELTA#-hole excitations. (orig.).

International Nuclear Information System (INIS)

In earlier works, the inelastic mean free path (IMFP) of electrons was determined by elastic peak electron spectroscopy (EPES) using Ni and Ag reference standard samples, but fully neglecting surface excitation. Surface excitation that is characterized by the surface excitation parameter (SEP), and may affect considerably the elastic peak for the sample and the reference material. The SEP parameters of selected conducting polymers (polythiophenes, polyaniline and polyethylene) were determined by EPES using Si and Ge reference samples. Experiments were made with a hemispherical analyzer of energy resolution 100-200 meV in the E = 0.2-2.0 keV energy range. The composition of the sample surfaces was determined by in situ XPS, their surface roughness by AFM. The experimental SEP parameter data of eight polymer samples were determined by our new procedure, using the formulae of Chen and Werner et al. in the E = 0.2-2.0 keV ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Developed is a simple method alloing one to determine the k-loop coefficient of #beta# function in gauge theories provided the operator expansion is constructed in (k-1) loop for certain two-point functions. The calculation of the two-loop coefficient of the Gell-Mann-Low function becomes trival - it reduces to a few algebraic operations with expressions which are already known. As an example spinor, scalar and supersymmetric electrodynamics are considered. Although the corresponding results for #beta#"("2") are known in the literature, both the method of the calculations and some points referring to the construction of the operator expansion are novel.

Energy Technology Data Exchange (ETDEWEB)

The digital AVR must have the level of redundancy and control functions that conform to the configuration of the excitation control system and to the importance of a particular generator for the user. The digital AVR is not simply a digital version of the analog AVR, but can realize sophisticated control functions that were difficult to achieve with analog circuits, thus making it possible to enhance the stability of power system by PSS (power system stabilizer). This paper describes the test results of the digital AVRs applied to power plants, their system configuration and functions, as well as the outline of an auto-tuning PSS or AT-PSS planned to be incorporated in the digital AVR in the future.

CERN Document Server

Using the complex Kohn method, we have calculated variational values of phase shifts and the annihilation parameter, Z_{eff}, for the elastic scattering of positrons by molecular hydrogen. Our results are sensitive to small changes in the accuracy of the wave function representing the target hydrogen molecule. We have developed a systematic approach to demonstrate that, at low positron energies, there are particular forms of the Kohn trial wave function for which the results of variational calculations are not reliable, even when the target wave function accounts for as much as 96.8% of the correlation energy of H_{2}. We find that reliable results can be recovered if our calculations are extended to admit more sophisticated target wave functions accounting for 99.7% of the correlation energy. Remaining discrepancies between theory and ...

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The Lagrange functions are a family of analytical, complete, and orthonormal basis sets that are suitable for efficient, accurate, real-space, order-N electronic-structure calculations. Convergence is controlled by a single monotonic parameter, the dimension of the basis set, and computational complexity is lower than that of conventional approaches. In this paper we review their construction and applications in linearscaling electronic-structure calculations.

International Nuclear Information System (INIS)

We discuss the calculation of two-point three-loop functions with an arbitrary number of massive propagators and one large external momentum. The relevant subdiagrams are generated automatically. The resulting massless two-point integrals and massive tadpoles are transformed on-line to FORM-expressions ready to be used by existing FORM packages which calculate them analytically. As an example we compute the quartic mass corrections to the photon polarization function. (orig.).

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Two novel organic n-type semiconductors are investigated due to their function as electron acceptor for applications in organic electronic devices to widen the knowledge of how molecule structure influences the excitation processes in organic electronics. Bispyrenylfullerene and Octadecyl-Capronacidesterfullerene are C{sub 60} derivates with sidechains more featured compared to the commonly used[6,6] phenyl-C{sub 61}-butyric acid methyl ester (PCBM). In bulk heterojunction devices regioregular poly(3-hexylthiophene) (P3HT) was used as donor. The materials, pristine and in blend, were studied in view of light absorption, their quenching abilities of the P3HT photoluminescence as well as excited states. Furthermore, the spin state of the excited states was determined by light-induced electron spin resonance. Combining these complimentary experimental techniques, we obtained information on the generation ...

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In the present thesis, the shell structure in exotic nuclei has been investigated. The focus of the work was on finding new experimental data in neutron-rich Cr and proton-rich Ca isotopes. The investigation of light Ca isotopes concentrated on the nucleus {sup 36}Ca which was produced in a knockout reaction from a radioactive {sup 37}Ca beam. For {sup 36}Ca, the excitation energy of the first 2{sup +} state has been measured for the first time. Furthermore, momentum distributions were analyzed using a Monte-Carlo simulation of the knockout reaction. This analysis yielded the contributions of neutrons from individual orbitals to the total knockout cross section. In principle, these may be used to calculate spectroscopic factors, but such a calculation is hampered by difficulties of present knockout-reaction models in predicting precise single-particle cross sections. The measured branching ratio to the ground and ...

International Nuclear Information System (INIS)

We use functional integral techniques to calculate the scattering amplitude for four open off-shell tachyons in Witten's string field theory and show that the residues of the first three poles agree with those obtained using oscillator methods. (orig.).

International Nuclear Information System (INIS)

An apparatus allowing the photoexcitation of barium atomic beam over its whole surface is described. This photoexcitation is achieved by another barium spectrum emitted up steam of the beam by a cathodic out-flow produced at the exit oven. The fluorescence spectrum is studied in detail as well as the influence of different parameters, such as oven temperature, current intensity of the outflow, and excitation depth. A calculation shows how to determine Einstein coefficient, oscillator strengths and atomic lifetimes from our experimental measurements.

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).

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International Nuclear Information System (INIS)

In the case of inelastic scattering of alpha particles to the 3"+ state, the averaged angular distributions show a characteristic shape, corresponding to the excitation of such an unnatural parity state by alpha particles in the compound nucleus process. The modified Hauser-Feshbach cross-section calculations give a good description of the averaged distributions for the alpha particle scattering to the 3"+ state and the compound nucleus parameters could be extracted. The calculations of the compounds nucleus contributions to the other states in the case of 24 MeV alpha particle scattering from "2"8Si show that this contribution is not negligible and in the case of the scattering to the 4"+ state seems to be dominant. (Z.M.).

International Nuclear Information System (INIS)

The objective of the study is to measure the neutron cross sections for the "5"9 Co (n, 2n) "5"8 Co reaction around the 14 MeV energy region. Neutron activation cross section for almost all the nuclei, mostly in the medium energy region e.g., 7 to 20 MeV are reported in literature. Neutron cross section data around 14 MeV is of immense importance for the design of D + T fusion reactors. The accuracy of the cross section data at this energy region is a requirement for correct prediction of reactor parameters e.g., tritium breeding, nuclear heating, induced activity, etc. In order to perform the experiment, the Co-sample sandwiched in Ni foils was irradiated employing the J-25 Neutron Generator at the AERE, Savar, Dhaka. After irradiation, the counting was done by the activation technique using a high resolution Hp Ge gamma ray spectrometer. The gamma ray spectra was analyzed in a Canberra series-40 Multi-channel Analyzer. Calculations for cross sections were done at ...

CERN Document Server

This contribution reviews a selection of findings on atomic density functions and discusses ways for reading chemical information from them. First an expression for the density function for atoms in the multi-configuration Hartree--Fock scheme is established. The spherical harmonic content of the density function and ways to restore the spherical symmetry in a general open-shell case are treated. The evaluation of the density function is illustrated in a few examples. In the second part of the paper, atomic density functions are analyzed using quantum similarity measures. The comparison of atomic density functions is shown to be useful to obtain physical and chemical information. Finally, concepts from information theory are introduced and adopted for the comparison of density functions. In particular, based on the Kullback--Leibler form, a ...

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 ...

International Nuclear Information System (INIS)

The bosonic string on R"2"5xS"1 has a series of states turning tachyonic at radii implying T=IT_H. We employ the B picture to examine these thermal states in the one-loop free energy and find them in various combinations, factorizing towards rational points on the real line boundary of the fundamental domain B: (-1/2=# 0). These thermal tachyons are interpreted as signaling Hagedorn instabilities against the production of an l-highly-excited-identical-strings state, which gives a relation between the one-loop partition function and l-point functions. (orig.).

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The activities "1"0"1Mo and "1"0"1Tc produced from neutron capture by natural Mo were chemically separated and studied using Ge(Li) #gamma#-ray detectors. Out of 185 transitions observed in the decay of "1"0"1Mo, 170 were assigned to 44 excited levels in "1"0"1Tc. For the decay of "1"0"1Tc, 26 of 27 transitions were placed among 10 excited levels in "1"0"1Ru. The interpretation of the "1"0"1Tc level scheme using the shell-model approach is not satisfactory even for a five-particle calculation. Systematics of odd-A level structures in the region of A=101 indicate that the level structure of "1"0"1Tc could be due partly to the onset of collective effects.

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A new method of determining the nuclear level density is presented. This method is based on the statistical analysis of the partial width fluctuations appearing in an excitation function of the radiative proton capture. The method was applied in the case of the /sup 88/Sr(p,..gamma..sub(..omega..))/sup 89/Y and /sup 89/Y(p,..gamma..sub(..omega..))/sup 90/Zr reactions. The density of levels with spin I/sup -/ in /sup 90/Zr and the densities of levels with spins 1/2/sup +/ and 3/2/sup +/ in /sup 89/Y at excitation energies from 10.9 to 11.6 MeV and from 9.3 to 10.8 MeV respectively, were determined with an uncertainty of about 35%.

International Nuclear Information System (INIS)

Electron-spin polarization in excess of 70% has been observed in photoemission from a 0.1-#mu#m-thick epitaxial layer of In_xGa_1_-_xAs with x#approx#0.13 grown on a GaAs substrate. Under these conditions, the epitaxial layer is expected to be highly strained by the 0.9% lattice mismatch. The electron polarization and the quantum efficiency have been measured as a function of the excitation photon energy from 1.25 to 2.0 eV. A significant enhancement of the electron polarization occurs in the vicinity of 1.33 eV where the expected strain-induced level splitting permits optical excitation of a single-band transition.

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

International Nuclear Information System (INIS)

The energy level schemes of the near "4"8Ca nuclei were investigated in the frame of the spherical shell model with pure configurations. For every nucleus two configurations were considered: the ground state configuration (GS) - calculated making use of empirical two-body interactions extracted from the level energies of the neighbouring nuclei, and the lowest energy configuration with one nucleon in the excited state (ES) - calculated making use of the two-body Kuo-Brown interactions. The results made it possible to explain the greater part of the so-called intruder levels. Comparison of the calculated and experimental level energy values epsilonsub(J)sup(calc)-epsilonsub(J)sup(exp) reveals systematic deviations of the experimental level energies from the shell model predictions. (orig.).

CERN Document Server

Generalized functions

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Each choice of an arbitrary nonzero function f of the four immersion parameters is shown to determine 16N[f] distinguishable classes of two-parameter families of immersions of Einstein-Riemann spacetimes in six-dimensional flat spaces, where N[f] is the number of regular immersion parameter domains. The metric tensors, curvature tensors and the immersion loci are calculated in a closed form, and these calculations involve only finitely many algebraic operations. The presence of the arbitrary function provides the opportunity for study of the behaviour of multiple isolated singularities and/or 'shape' functions in general relativity.

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A method of calculating the neutron source strength in irradiated Fast Flux Test Facility (FFTF), fuel has been developed and is presented in this paper. This method has been used to perform calculations in support of the reactivity monitoring of the FFTF reactor by the modified source multiplication method during refueling operations. 31 refs.

International Nuclear Information System (INIS)

A cross-flow atmospheric plasma jet with distilled water or analyte solution nebulization has been investigated. The plasma gas flows perpendicularly to the RF powered electrode (11.21 MHz) and a grounded electrode was added for plasma stabilization. The working parameters of the plasma generator can be controlled in order to maximize either the plasma power (75 W) or the voltage on the RF powered electrode (plasma power, 40 W). The plasma gas, pure argon (0.4 l min-1) or a mixture of argon (0.3-0.4 l min-1) and helium (0-0.2 l min-1), was also used for liquid nebulization. Optical emission of the plasma, collected in the normal viewing mode, was used for plasma diagnostics and for evaluating its excitation capabilities. The influence of helium content in the mixed-gas plasma on the plasma characteristics and on the emission axial profiles of the plasma gas constituents and of the analytes originate from the wet aerosol was studied. The addition of helium to the ...

International Nuclear Information System (INIS)

Electron-excitation cross sections are reported for the 3s "2S#->#3p "2P(h,k) resonance transition in Mg"+ at energies from threshold (4.43 eV) to approximately 9 times threshold (40.0 eV). The electron-energy-loss merged-beams technique used in these measurements is described in detail. In addition, the method of separating contributions of the elastically scattered (Coulomb) and the inelastically scattered electrons in the present Mg"+ case and previously reported Zn"+ results [Phys. Rev. Lett. 67, 30 (1991)] is described. Comparisons in the experimental energy range are made for Mg"+ with the two five-state close-coupling theoretical calculations carried out herein, and with other published close-coupling, distorted-wave, and semiempirical calculations. The present Mg"+ cross sections and Zn"+ cross sections from earlier measurements are tabulated.

CERN Document Server

Antideuterons are among the most promising galactic cosmic ray-related targets for dark matter indirect detection. Currently only upper limits exist on the flux, but the development of new experiments, such as GAPS and AMS-02, provides exciting perspectives for a positive measurement in the near future. In this Paper, we present a novel and updated calculation of both the secondary and primary antideuteron fluxes. We employ a two-zone diffusion model which successfully reproduces cosmic-ray nuclear data and the observed antiproton flux. We review the nuclear and astrophysical uncertainties and provide an up to date secondary (i.e. background) antideuteron flux. The primary (i.e. signal) contribution is calculated for generic WIMPs annihilating in the galactic halo: we explicitly consider and quantify the various sources of uncertainty in the theoretical evaluations. Propagation uncertainties, as is the case of antiprotons, ...

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Cross-sections for the deuteron-induced reactions on natural molybdenum leading to {sup 93m}Tc, {sup 93m+g}Tc, {sup 94}Tc, {sup 94m}Tc, {sup 95}Tc, {sup 95m}Tc, {sup 96m+g}Tc, {sup 99m}Tc, {sup 99}Mo, {sup 101}Mo, {sup 90m+g}Nb, {sup 92m}Nb, {sup 95}Nb and {sup 89m+g}Zr were measured in the energy range 3.0-19.6 MeV on the cyclotron U-120 M in the Institute of Nuclear Physics AS CR. Special attention was paid to excitation functions and thick target yields for the formation of {sup 95m}Tc, a suitable tracer for {sup 99}Tc, of {sup 96m+g}Tc, which might be used as a beam monitor, and of {sup 99m}Tc and {sup 99}Mo, the most widespread radionuclide generator pair in nuclear medicine. If appropriate, obtained data are compared with the heretofore published cross-sections.

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Doubly-excited 2s{sup -1}2p{sup -1}3pnp autoionizing resonance series of Ne atom as well as autoionizing resonances in the 2s region of Na and Mg atoms have been studied with monochromatized synchrotron radiation. Use of charge-separated photoion-yield method allowed us to detect these weak resonances in a clarified way in the yield curves of doubly-charged ions. The observed resonance states have been interpreted with the help of MCDF calculations, and the decay processes of these resonance states are discussed briefly.

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The process of inelastic scattering of hot plasma electrons with energies upto 3 keV by a pair of close-lying nuclear levels (..delta../ital E/less than or equal to2keV), one of whichis isomeric, is discussed. The transition cross sections in the nuclei/sup 242/Am, /sup 171/Lu, and /sup 73/Se are calculated. Estimates of the numberof isomeric nuclei de-excited as a result of electron-stimulated processes in aplasma with parameters characteristic of present-day experiments in controlledthermonuclear fusion are given.

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The use of the method is described on powder samples before and after sintering with a La content of up to 1%. For excitation of the K series of La a /sup 241/Am source with an activity of 1.11 GBq was used. The obtained results showed that the method is sufficiently accurate (error 7%) at a short period of measurement (100 s). It gives satisfactory results even in the comparison of the experimental relative count rate and the theoretically calculated value despite the fact that the analytical signal comes from the sample surface.

British Library Electronic Table of Contents (United Kingdom)

Acetylacetone is isolated in hydrogen matrices and is investigated by means of infrared spectroscopy, combined with theoretical calculations. The two stable enol and keto tautomers are well characterized. The keto/enol ratio in solid parahydrogen is found to be higher than in classical matrices. While vibrational bands of the enol form are broad, with bandwidths depending on the vibrational mode, those of the keto form are narrow. A KrF laser excitation is used to induce the enol/keto tautomerization in solid parahydrogen. The kinetics of the interconversion is followed, highlighting a non-direct tautomerization process.

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

British Library Electronic Table of Contents (United Kingdom)

This paper deals with dynamical behavior of a nonlinear suspension system. We examine chaotic motion in a vehicle suspension system with hysteretic nonlinearity excited by a road profile. A one degree of freedom quarter-car model with nonsymmetric potential is investigated. The Melnikov criterion is used to study the intersection of stable and unstable manifolds and transition to chaos for the system. The condition for chaotic vibration is found using a Melnikov function. Chaotic motion also is indicated by a bifurcation diagram and Lyapunov exponents.

International Nuclear Information System (INIS)

The electron-phonon spectral distribution function #alpha#"2(#omega#) F (#omega#) has been calculated for niobium. The electron energy bands and wave functions were obtained from a self-consistent augmented-plane-wave muffin-tin potential, and the electron-phonon matrix elements were evaluated using the so-called rigid-ion approximation. With this approximation it is found that #alpha#"2(#omega#) is constant over the whole energy spectrum. The electron-phonon mass enhancement has also been calculated for local regions of the Fermi surface and found to be anisotropic. The calculated local values of the enhancement do not agree with experimental values available for different orbits from de Haas--van Alphen measurements. The discrepancy seems to arise because the bare-rigid-ion matrix elements are relatively small between states with nearly pure l = 2 character.

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Direct current motors are used in photovoltaic systems. Important characteristics of electric motors are the starting to rated current and the torque ratios. These ratios are dictated by the size of the solar cell array and are different for the various dc motor types. The paper deals with the calculation of the starting to rated current ratio and starting to rated torque ratio of the permanent magnet, separately, series and shunt excited motors when powered by solar cells for the two cases: where (1) the system includes a maximum-power-point-tracker (MPPT) and (2) without an MPPT. Comparing these two cases, one gets a torque magnification of about 3 for the permanent magnet motor and about 7 for other motor types at rated design insolation. The calculation of the torques may assist the PV system designer to determine the advantage of including an MPPT in the system as far as the starting characteristics of the dc motors ...

International Nuclear Information System (INIS)

The invention refers a procedure of radiation dose control in irradiated tissues during electron-beam therapy. It aims at meeting the planned radiation dose for diseased tissues and taking care of the healthy ones. Therefore, the dose distribution required is determined before irradiation in consideration of such factors as energy-dependence of detector sensitivity, self-absorption within the tissue, and relative biological effectiveness. Furthermore, the expected intensity distribution of secondary quantum radiation excited in the irradiated tissue is calculated. A radiation detector for local resolution is used for registration. During irradiation the calculated intensity distribution is compared with the measured one. The invention is applicable in radiation therapy with monoenergetic electron beams.

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)

British Library Electronic Table of Contents (United Kingdom)

Upconversion nanoparticles (UCNPs) with unique multi-photon excitation photoluminescence properties have recently been intensively explored as novel contrast agents for low-backgroundbiomedical imaging. In this work, we functionalize UCNPs with a polyethylene glycol (PEG) grafted amphiphilic polymer. The PEGylated UCNPs are loaded with a commonly used chemotherapy molecule, doxorubicin (DOX), by simple physical adsorption via a supramolecular chemistry approach for intracellular drug delivery. The loading and releasing of DOX from UCNPs are controlled by varying pH, with an increased drug dissociation rate in acidic environment, favorable for controlled drug release. Upconversion luminescence (UCL) imaging by a modified laser scanning confocal microscope reveals the time course of intracel...

Science.gov (United States)

The calculated radioactive waste inventories of the Turkey Point pressurized water fission reactor (PWR) and the Starfire conceptual fusion tokamak are compared as a function of time from initial start-up to 10,000 years after decommissioning. Only materi...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

... excitation experimental data gamma radiation mev range 01-10 parity

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and ...

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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.

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We use a nonsingular-potential model for heavy quarkonia proposed by Gupta, Repko, and Suchyta to calculate the transition amplitudes for the magnetic-dipole ({ital M}1) one-photon radiative decays of the {ital c{bar c}} and {ital b{bar b}} bound systems. The wave functions of the bound systems are calculated by a nonperturbative treatment. The results are in better agreement with the experimental data than those predicted using other potential models.

Science.gov (United States)

Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433-479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.

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

British Library Electronic Table of Contents (United Kingdom)

The adhesion strength of polybutylene terephthalate (PBT) on aluminum was investigated using density functional theory-based total energy calculations. Aluminum atom was connected to a PBT monomer at different orientations and total energies were calculated in order to determine the most stable orientation. The energy differences showed that the Al oriented at 180degree with the ester group of the monomer bonded strongly. Using this orientation, the PBT monomer-adhesion on aluminum surface and the aluminum atom adhesion on PBT bulk were also investigated.

Science.gov (United States)

An approximate method of calculating the radius of thawing around an injection well is presented. The method is based on the assumption that for a cylindrical system the position of the phase interface in the Stefan problem can be approximated through two functions: one function determines the position of the melting-temperature isotherm in the problem without phase transitions and the second function does not depend on time. The adjusted heating time concept was used to describe the first function. The second function is a known analytical relationship and is expressed in terms of ice content, thermal properties of thawed/frozen formations, formation temperature and the temperature of the injected fluid. Simple approximate formulae are suggested to estimate the duration of the freezeback period. To verify the proposed formulae, the results of numerical ...

International Nuclear Information System (INIS)

Radial distribution functions of liquid sodium and caesium at 100"0C have been calculated by the method of molecular dynamics with interionic pair potentials derived from Heine-Abarenkov-Shaw type model potential. The results were found to be in good agreement with recent experimental data. (Auth.).

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 ...

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Using an accretion-disk model, accretion disk luminosities are calculated for a grid of black hole masses and accretion rates. It is shown that, as the black-hole mass increases with time, the monochromatic luminosity at a given frequency first increases and then decreases rapidly as this frequency is crossed by the Wien cutoff. The upper limit on the monochromatic luminosity, which is characteristic for a given epoch, constrains the evolution of quasar luminosities and determines the evolultion of the quasar luminosity function. 22 refs.

International Nuclear Information System (INIS)

Techniques for reducing computation time in 3D photon dose calculations are addressed with specific emphasis given to the convolution/superposition approach. A single polyenergetic superposition model calculating absorbed dose per incident photon fluence (Gy cm"2) was developed in terms of TERMA and a total energy deposition kernel (a total point spread function). A novel approach was devised for reducing calculation time. The method, named the CF method, was based on the use of a conventional, fast model (here a modified power-law method was used) for the generation of 3D dose distributions on a fine dose matrix. Superposition calculations were carried out on a coarse matrix and calculation speed was increased simply by reducing the number of calculations. A set of correction factors was derived on the coarse grid from the ratio of the dose ...

Science.gov (United States)

This paper reports that, to obtain better simulation results for a Canada deuterium uranium (CANDU) reactor operation, a new simulation method is developed that uses actual detector readings as a correction factor. Detector readings from a CANDU reactor are used to correct the calculated flux distribution during core calculation iterations. A suitable function is found to describe the relationship between the detector flux and the fluxes of mesh points around the detector. The new simulation method is tested by performing numerical calculations for the Wolsung reactor (a CANDU-600). The results show that the new method predicts the core state more accurately with fewer iterations.

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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.

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For the first time absolute total cross sections for electron-impact excitation of a multiply-charged ion have been measured using an electron-energy-loss technique. Measurements were made near threshold for the process e + Si"3"+(3s"2S_1_/_2) #-># e+Si"3"+(3p"2P_1_/_2_,_3_/_2)-8.88 eV. The 10"-"1"5 cm"2 measured cross section agrees with results of 7-state close coupling calculations to better than the #+-#20% (90% CL) total uncertainty of the measurements. Convoluting the theoretical curve with a Gaussian energy distribution indicates an energy width of 0.15 < or approx. #DELTA#E < or approx. 0.20 eV. (orig.).

International Nuclear Information System (INIS)

Inelastic scattering of 180 MeV #pi#"+ and #pi#"- from "5"2Cr shows an angular distribution for the 2_2"+ state at 2.96 MeV that differs greatly from the usual L = 2 shapes for 2"+ states. This state is perhaps the only case from pion-inelastic scattering in which standard distorted-wave impulse approximation models (including multistep and single-step responses) fail to reproduce the measured angular distribution. Furthermore, this unique excitation has been shown to have the features expected of a seniority-four proton excitation yet the pion data show charge symmetry. While coupled-channel calculations are not able to reproduce the pion data, they do agree with the shape observed for 42 MeV #alpha# particle scattering to this state, but the magnitude of the #alpha# scattering data is not consistent with a collective model and known #gamma# ray deexcitations. Scattering to the first and third 2"+ states of "5"2Cr with ...

Energy Technology Data Exchange (ETDEWEB)

The low excitation energy spectroscopy of /sup 86/Sr, /sup 88/Sr, /sup 89/Sr, /sup 86/Rb, and /sup 87/Rb nuclear systems was studied via one-nucleon transfer reactions. The strontium isotopes, /sup 87/Sr and /sup 88/Sr, were used as targets in this study. Spectroscopic strengths were extracted from the measured transfer reaction cross sections and the distorted wave Born approximation (DWBA) analysis. Efforts have been made to accomplish a complete detection of spectroscopic strengths through the excitation energy region where levels can be resolved and identified. A shell model sum rule analysis is then made. Diagonal matrix elements for the effective two-nucleon interaction were deduced from empirical energy centroid. Matrix elements normalized by their empirical monopole energy was plotted against the semiclassical angle between two spins. They were compared with various analytical function forms of the effective ...

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Development of techniques for separating isomeric nuclides is important to the investigation of schemes for gamma-ray lasers. In preparation for an experiment to separate 10_1_4 atoms of the /sub 197m/Hg (299 keV, tau/sub 1/2/ = 24 hours) isomer, we report isotopically selective resonance ionization of mercury atoms. This has been accomplished by three-step excitation via the 6_3P"1 and 8_1S"0 excited states, using three collinear pulsed laser beams of 254, 286, and 532 nm wavelengths from a Nd:YAG and two dye lasers. These beams were passed through a closed mercury-vapor cell containing electrostatic plates to which the ions were drawn. Ion current and fluorescent radiation were measured as a function of laser frequency. Hyperfine structures for the 254- and 286-nm transitions were observed.

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).

International Nuclear Information System (INIS)

In the Introduction the history of the cascade probabilistic method development is described. The calculation model for different charged particles cascade probabilistic functions (CPF) was considered. A new analytical expressions for CPF for electrons, protons, alpha-particles and ions are obtained as well. A new results on mathematical analysis, algorithms, and calculation of CPF with taking into account charged particles energy losses on computer are cited. The peculiarities of these functions are analyzed. The detail analysis of these function behavior in relation from flying particles energy, target atomic number, generation and registration depth, and interactions number is carried out. The program packages in the Windows medium is developed on the visual programming languages: Visual Basic 6.0, Delphi 6.0, C++ Builder 6.0.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The absolute cross sections of "2"3Na(p,n)"2"3Mg, "2"7Al(p,n)"2"7Si and "3"0Si(#alpha#,n)"3"3S reactions were measured in the incident energy range of 5.05 to 5.80, 5.80 to 6.25 and 3.975 to 6.235 MeV respectively using a spherically shaped 4#pi# neutron detector. In the energy range 5.80 to 7.80 and 6.235 to 11.30 MeV the absolute cross sections of "2"3Na(p,n)"2"3Mg and "3"0Si-(#alpha#,n)"3"3S reactions were determined by optical model calculations. The cross sections of the inverse reactions "2"3Mg(n,p)"2"3Na and "3"3S(n,#alpha#)"3"0Si were also calculated by the same method for the neutron energy range of 10 keV to 7.50 MeV for each reaction. The cross section of the latter reaction in the neutron energy range of 10 keV to 840 keV was also determined from its inverse reaction "3"0Si(#alpha#,n)"3"3S by the application of the detailed balance theorem. The reactions for which the cross sections were determined are of importance in stellar ...

International Nuclear Information System (INIS)

In this study the results of mathematical simulation and experimental research of texture transition in stress assisted shear phase transformations are discussed. The orientation distribution function (ODF) calculation model to the any type crystalline lattice symmetry materials has been suggested. By crystalline lattice symmetry analysis this computer program determines necessary amount of the initial experimental data. The experimental verification supports this model well. The ODF calculation model after shear phase transformation with equal use of all possible variants of orientation relationship or with various degrees of variant selection worked out. In this study the experimental and calculating data of the direct and reversal shear transformations #alpha# <=> #gamma# in Fe-alloys and B2 <=> B19' in Ti-Ni alloys are discussed. The stress assisted shear phase transformation model and ...

British Library Electronic Table of Contents (United Kingdom)

Good performance in extended lactations of dairy cattle may have a beneficial effect on food costs, health, and fertility. Because data for extended lactation performance is scarce, lactation persistency has been suggested as a suitable selection criterion. Persistency phenotypes were calculated in several ways: P1 was yield relative to an approximate peak, P2 was the slope after peak production, and P3 was a measure derived to be phenotypically uncorrelated to yield and calculated as a function of linear regressions on test-day deviations of days in milk. Phenotypes P1, P2, and P3 were calculated for sires as solutions estimated from a random regression model fitted to milk yield. Because total milk yield, calculated as the sum of daily sire solutions, was correlated to P1 and P2 (r=0.30 ...

International Nuclear Information System (INIS)

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

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.

Energy Technology Data Exchange (ETDEWEB)

The photoluminescence intensity of an optical emitter changes when placed in close proximity to a noble-metal nanoparticle, due to two contributions. First, the optical near-field of the nanoparticle leads to a change in excitation rate of the emitter. Secondly, the emission efficiency is changed due to an optical energy transfer from the emitter to the metal nanoparticle, which provides additional radiative and non-radiative decay channels. In this work we investigate the photoluminescence of Sm{sup 3+} ions, which are embedded in SiO{sub 2}. The photoluminescence spectrum of ions in proximity to single silver and gold nanoparticles is measured. The influence of the spectral position of the nanoparticle plasmon peak on the photoluminescence yield will be discussed and compared with model calculations.

British Library Electronic Table of Contents (United Kingdom)

The current paper continues the analysis of a completely novel method of fluid manipulation technology in micro-fluidics systems, inspired by nature, namely by the mechanisms found in ciliates. More information on this subject can be found at http://www.hitech-projects.com/euprojects/artic/. In order to simulate the drag forces acting on an array of artificial cilia, we have developed a computer code that is based on fundamental solutions of Stokes flow in a semi-infinite domain. The actuation mechanism consists of a bi-directional rotating excitation magnetic field. The magnetization induced by the magnetic field was calculated in a separate routine based on the Integral Nonlinear Equations Approach with 1D discretization of wire (cilium). Time averaged x-coordinate mass flow rates, strea...

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

International Nuclear Information System (INIS)

Using the electron energy-loss method in a merged electron-ion beams geometry absolute, cascade-free excitation cross sections have been measured for the resonance "2S#->#"2P transition in Zn"+. Measurements were carried out at electron energies of below threshold (threshold at 6.011 eV) to 40 eV. Results are in very good agreement with close-coupling calculations and, away from threshold, lie below absolute line-emission cross sections which include effects of cascade into the "2P state from higher levels.

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The plans for the CERN LHC heavy ion program in 2010 are for collisions of lead ions during the month of November at an energy about half of the final 5.5 TeV/nucleon. The advanced preparations are mostly for extrapolations of the measurements at the maximum energy previously available, Au + Au at 0.2 TeV/nucleon. Because of the large increase in energy, surprises can be expected. One new feature made possible by the increased energy and the excellent muon energy resolution of CMS will be the study of the yields of the excited states of the upsilon meson as a function of angle and centrality. Although the main emphasis will be on the QGP formed by the overlapping parts of the Pb ions, the spectator parts and the electromagnetic field outside of the ions, #gamma#-Pb and #gamma##gamma#, are also important.

International Nuclear Information System (INIS)

We present a unified description of the imaginary part of the dynamical magnetic susceptibility #chi#"'"'(#omega#.T) and measurements of the static susceptibility #chi#(T) and electrical resistivity #rho#(T) in the uranium intermetallics UCu_5_-_xPd_x (x = 1.1.5). For temperatures T and excitation energies #omega# in the range 12 K < #omega#, T < 150 K, our analysis demonstrates that the dynamics of isolated uranium ions are responsible for the observed temperature and frequency scaling, although interion interactions may become important at lower temperatures and frequencies. We derive a strict criterion for single-ion scaling in the form of a universal scaling function, providing a model-independent description of the compiled experimental data. (orig.).

Energy Technology Data Exchange (ETDEWEB)

An integrated tabu-fuzzy knowledge based controller applied to enhance the performance of power system stabilizer (PSS) is presented in this paper. The fuzzy knowledge based controller (FKBC) has been developed to perform the function of a PSS and to provide a supplementary signal to the excitation system of the synchronous generator. The method used for storing and representing the fuzzy rules is called the fuzzy associative memory (FAM) matrix. The well-defined FAM determines the performance of the FKBC and hence the tabu search algorithm is proposed and applied to determine the construction and optimization of the FAM. The controller has been tested in the case of single machine infinite bus and multi-machine systems for various types of disturbance. To show the effectiveness of the proposed controller, the comparison with the conventional PSS is presented. (author)

International Nuclear Information System (INIS)

An experimental study was performed in order to study the nuclear structure in odd--odd In isotopes. Low lying nuclear energy levels in "1"1"0In and "1"1"2In were determined from de-excitation #gamma#-rays produced with "1"0"7AG(#alpha#,n#gamma#)"1"1"0In, "1"0"8Pd("6Li,4n#gamma#)"1"1"0In, "1"0"9Ag(#alpha#,n#gamma#)"1"1"2In and "1"1"0Pd("6Li,4n#gamma#)"1"1"2In reactions. In addition, the "1"1"4In energy level structure was investigated with the "1"1"0Pd("7Li,3n#gamma#)"1"1"4In reaction. Properties of de-excitation #gamma#-rays were determined from #gamma#--#gamma# coincidence excitation and angular distribution measurements conducted with Ge(Li) and Ge(intr.) #gamma#-ray detectors. A sequence of intraconnected levels in each of "1"1"0 "1"1"2 "1"1"4In were assigned to the (#pi#"-"1/sub 9/2/, #nu#h/sub 11/2) configuration. For the "1"1"0 "1"1"2"1"1"4In energy level schemes a model calculation was performed ...

Science.gov (United States)

The utility of recording Raman spectroscopy under liquid nitrogen, a technique we call Raman Under Nitrogen (RUN), is demonstrated for ferrocene, uranocene and thorocene. Using RUN, low temperature (liquid nitrogen cooled) Raman spectra for these compounds exhibit higher resolution than previous studies and new vibrational features are reported. The first Raman spectra of crystalline uranocene at 77 K are reported using excitation from argon (5145 ) and krypton (6764 ) ion lasers. The spectra obtained showed bands corresponding to vibrational transitions at 212, 236, 259, 379, 753, 897, 1500, and 3042 cm-1 , assigned to ring-metal-ring stretching, ring-metal tilting, out-of-plane CCC bending, in-plane CCC bending, ring-breathing, C-H bending, CC stretching and CH stretching, respectively. The assigned vibrational bands are compared to those of uranocene in THF and thorocene. All vibrational frequencies of the ligands, except the 259 cm-1 out-of-plane CCC bending ...

International Nuclear Information System (INIS)

We calculated the energies of asymmetric nuclear matter at zero and finite temperatures with the cluster variational method. At zero temperature, the expectation value of the two-body Hamiltonian composed of the kinetic energies and the AV18 two-body forces is calculated with the Jastrow wave function in the two-body cluster approximation. The obtained two-body energy is in good agreement with the result with the Fermi Hypernetted Chain (FHNC) calculation by Akmal et al. The energy caused by the UIX three-body forces is treated somewhat phenomenologically so that the total energy reproduces the empirical saturation point. Furthermore, the parameters included in the three-body energy are readjusted so that the Thomas-Fermi (TF) calculations with use of the obtained energy of nuclear matter reproduce the gross feature of the experimental data on atomic nuclei. The nuclear species in ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

A compact, quasi-4? position sensitive silicon array, TIARA, designed to study direct reactions induced by radioactive beams in inverse kinematics is described here. The Transfer and Inelastic All-angle Reaction Array (TIARA) consists of 8 resistive charge division detectors forming an octagonal barrel around the target and a set of double-sided silicon-strip annular detectors positioned at each end of the barrel. The detector was coupled to the ?-ray array EXOGAM and the spectrometer VAMOS at the GANIL Laboratory to demonstrate the potential of such an apparatus with radioactive beams. The 14N(d,p)15N reaction, well known in direct kinematics, has been carried out in inverse kinematics for that purpose. The observation of the 15N ground state and excited states at 7.16 and 7.86 MeV is presented here as well as the comparison of the measured proton angular distributions with DWBA calculations. Transferred l-values are in very good agreement ...

Energy Technology Data Exchange (ETDEWEB)

Independent isomeric yield ratios of /sup 128/Sb were determined radiochemically in the thermal neutron induced fission of /sup 241/Pu and 34 MeV alpha particle induced fission of /sup 238/U, both involving the same compound nucleus (/sup 242/Pu). Fragment angular momenta estimated from the measured isomer ratios using the statistical model analysis showed significantly larger fragment angular momenta in the medium energy fissioning system compared to the low energy fissioning system. This has been attributed to the effect of higher excitation energy and angular momentum in the entrance channel leading to increased fragment temperature, moments of inertia and angular velocity. An attempt was made to calculate the fragment angular momentum in the medium energy fission using the Fermi gas model for the fissioning nucleus, taking into account the multichance fission, saddle shapes of the fissioning nuclei and the angular velocity components of the ...

Energy Technology Data Exchange (ETDEWEB)

The energy levels of the configuration f{sup 2} in an eight-fold cubic crystal field (CF) have been calculated, and the results are used to explain the experimental spectrum of UO{sub 2}. The fourth-order CF potential turns out to be much smaller than usually assumed for this compound. This has an effect of reducing the J-mixing in the wavefunctions, particularly in the case of the ground state wavefunction. In spite of the strength of the CF, the ground state vertical stroke {sup 3}H{sub 4}T{sub 2} right angle is found to be modified only slightly by the J-mixing effect; it consists of 89.4% {sup 3}He{sub 4}, and the remaining eleven components make up the rest. Very good correlation is obtained between the experimental and simulated energy-level schemes. The predominance of {sup 3}H{sub 4} in the ground state consequently increases the value of the calculated effective magnetic moment. The results are compared with our previous predictions ...

International Nuclear Information System (INIS)

This report is the user's manual of seismic system reliability analysis code SECOM2 (Seismic Core Melt Frequency Evaluation Code Ver.2) developed at the Japan Atomic Energy Research Institute for systems reliability analysis, which is one of the tasks of seismic probabilistic safety assessment (PSA) of nuclear power plants (NPPs). The SECOM2 code has many functions such as: Calculation of component failure probabilities based on the response factor method, Extraction of minimal cut sets (MCSs), Calculation of conditional system failure probabilities for given seismic motion levels at the site of an NPP, Calculation of accident sequence frequencies and the core damage frequency (CDF) with use of the seismic hazard curve, Importance analysis using various indicators, Uncertainty analysis, Calculation of the CDF taking into account the effect of the correlations of responses and ...

International Nuclear Information System (INIS)

We present a development of the use of the AAPM TG-43 dose formalism applied to "1"3"7Cs gynecological implant sources. The geometry factor, radial dose function, and anisotropy function of a "1"3"7Cs source modeled after the Nuclear Associates 67-809 series stainless steel jacketed tube source were derived following the AAPM TG-43 formalism. The dose rate distribution through the center of the source using the AAPM TG-43 dose formalism is calculated and compared with the calculations obtained using the Sievert summation and Monte Carlo simulation. The three methods resulted in an agreement within less than 5%, or an isodose rate line agreement within 2 mm. We demonstrate that the AAPM TG-43 formalism can be applied to "1"3"7Cs linear sources and is capable of serving as a "1"3"7Cs dose calculation algorithm that can be used for treatment planning purpose.

International Nuclear Information System (INIS)

The results of studies of the time-resolved luminescence of self-trapped excitons (STE) with different multiplicity as well as the X-ray emission in oriented BeO crystals under excitation in the vicinity of the 1 s Be photoabsorption edge are presented. The branching of the electronic excitations relaxation depends strongly on the crystal orientation after the inner-shell excitation. The common features between the processes of the STE luminescence and resonantly excited X-ray fluorescence have been discussed.

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 ...

Energy Technology Data Exchange (ETDEWEB)

Independent isomeric yield ratios of {sup 131}Te, {sup 133}Te and {sup 134}I have been determined at five different energies in the range of 25-44 MeV alpha particle induced fission of {sup 238}U using radiochemical and gamma spectrometric techniques. From the independent isomeric yield ratios, fragment angular momenta (J{sub rms}) have been deduced using a statistical model analysis. The J{sub rms} were also calculated theoretically based on thermal equilibration of various collective modes after considering the occurrence of multichance fission. These data and the literature data for various fragments in the mass region 126-136 in {sup 238}U ({alpha},f), {sup 238}U (p,f) and {sup 238}U ({gamma},f) show the following important features: (i) Both the entrance channel excitation energy and input angular momentum affect the fragment angular momentum in the exit channel. (ii) There are two groups of fission products from the point of view of ...

International Nuclear Information System (INIS)

Point contact Josephson junctions can function as millimeter wave heterodyne mixers with conversion gain. The best results achieved thus far show a single sideband conversion gain of 1.3 and a mixer contribution to the system noise temperature of 54"0K. Both of these results are approximately 5 times better than the best published figures for cooled Schottky barrier diode mixers operated at the same frequency. The measured noise for a variety of junctions can be expressed as a universal function of the normalized rf frequency #OMEGA# = h#omega#/2eI/sub c/R. It is about a factor 2 larger than the calculated noise arising from the thermal noise in the junction shunt resistance, R. The noise calculation was done for the resistively shunted junction model using an analog junction simulator.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Muonic-atom energy levels and wave functions are calculated. The results are corrected for nearly all important static effects, including finite nuclear size as produced by a user-specified nuclear charge distribution. Fourth-order Runge-Kutta integration of the radial Dirac equations, with the secant method determining the eigenvalues. Corrections are either included as potentials in the Dirac equations or computed as first-order perturbations. The code assumes spherical symmetry, so that effects of nuclear deformation may be treated only as static first-order perturbations. Dynamic muon-electron and muon-nuclear effects are neglected (the latter are calculated by RURP). (Auth.).

CERN Document Server

We study suspensions of semi-flexible colloidal rods and biopolymers using an Onsager-type second-virial functional for a segmented-chain model. For suspensions of thin and thick fd virus particles we calculate phase diagrams in quantitative agreement with experimental observations, and we find their effective state-point dependent shape to be much shorter and thicker than the actual shape. We also calculate the stretching of worm-like micelles in a host fd virus solution, again finding agreement with experiments. For both systems, our results show that the fd virus stiffness can play a key role in system behavior.

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The capability of screen-film combinations of detection and representation of information is described by the detective quantum efficiency (DQE). The DQE may be calculated from the sensitivity, the gradient of the characteristic curve, the modulation transfer function and the Wiener spectrum. These parameters have been determined for fourteen screen-film combinations and the DQE's have been calculated. It is shown that the low frequency region the DQE does not depend on spatial frequency. This constant level of DQE is mostly dependent on the absorbance of the screens. Consequences from this fact, as well for the manufacturer as for the user of the screens, are discussed.

Energy Technology Data Exchange (ETDEWEB)

An energy control strategy (10) for a hybrid electric vehicle that controls an electric motor during bleed and charge modes of operation. The control strategy (10) establishes (12) a value of the power level at which the battery is to be charged. The power level is used to calculate (14) the torque to be commanded to the electric motor. The strategy (10) of the present invention identifies a transition region (22) for the electric motor's operation that is bounded by upper and lower speed limits. According to the present invention, the desired torque is calculated by applying equations to the regions before, during and after the transition region (22), the equations being a function of the power level and the predetermined limits and boundaries.

International Nuclear Information System (INIS)

A semi-mechanistic model for calculating solid radionuclide release rates from bubbling pools of sodium was developed. The influence of particle spacial and size distributions on the decontamination of the releases was analysed and found significant. Decontamination factors are shown as a function of pool depth, bubbling characteristics and particle size distribution. The calculation of a decontamination factor for estimating the source term of large scale hypothetical core disruptive accidents is presented. The decontamination factor for a large scale accident was found to be two orders of magnitude greater than results obtained from small scale experiments conducted with uniform particle distributions. (orig.).

International Nuclear Information System (INIS)

... coriolis force de-excitation excited states half-life iridium 187 multipolarity

Energy Technology Data Exchange (ETDEWEB)

A centralized, automatic monitoring system for coal mines has been developed. The system consists of newly-developed and improved sensors, transmission equipment, a minicomputer designed for scientific and technical calculations, and accompanying software (MOLES). MOLES performs six functions: input, computation, decision, memory, output and correction. Previously, centralized monitoring has been limited to single dimensional monitoring of the 'time and point' type. The present system carries out data analysis and processing with respect to time, space and item. It is also capable of simple automatic diagnosis of abnormalities. (In Japanese)

International Nuclear Information System (INIS)

Geochemical model is a kind of concept model which describes geochemical processes by means of chemical reaction equations and mathematical formula, and the software based on the concept model are called geochemical modeling code. Geochemical modeling codes can be divided into three categories: mass equilibrium, mass transfer and mass transport code. The major functions of geochemical codes include the calculation of forms of occurrence of elements, the prediction of direction of various geochemical reaction, the dissolution and precipitation of elements, the pH and Eh value, the rate and path of geochemical reaction in aqueous solution.

International Nuclear Information System (INIS)

We calculate the normalized factorial moments of multiplicity distributions through three models for elastic hadron scattering (Chou-Yang, Henzi-Valin and Menon-Pimentel). Connections between the moments and the inelastic overlap function and/or eikonal function are obtained by means of an impact parameter representation for the multiplicity distribution. The predictions are compared with experimental data on factorial moments from both inelastic and non-single-diffractive events. The model results present best agreement with the inelastic events and data favour the model by Henzi and Valin. (author)

International Nuclear Information System (INIS)

A new potential function based on spectroscopic results for diatomic molecules is presented and applied to the hydrogen bonding systems. The potential energy of interaction is supposed to have electrostatic, polarization, dispersion, repulsion and effective charge-transfer contributions. Estimates of the effective charge-transfer quantity have been made based on the average charge of the proton donor and the acceptor atoms. For dimers such as water, methanol, acetic acid and formic acid, the vibrational stretching frequencies and dimerization energies are calculated and discussed in connection with Badger-Bauer rule. (author).

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 ...

British Library Electronic Table of Contents (United Kingdom)

On the basis of a numerical model, the temperature and liquid fraction of spray-formed H13 tool steel are calculated as a function of time. Results show that a preheated substrate at the appropriate temperature can lead to very low porosity by increasing the liquid fraction in the deposited steel. The calculated cooling rate can lead to a microstructure consisting of martensite, lower bainite, retained austenite, and proeutectoid carbides in as-spray-formed material. In the temperature range between the solidus and liquidus temperatures, the calculated temperature of the spray-formed material increases with increasing substrate preheat temperature, resulting in a very low porosity by increasing the liquid fraction of the deposited steel. In the temperature region where austenite decomposit...

Energy Technology Data Exchange (ETDEWEB)

A computational environment, as a set of MapleV R.3 routines for doing symbolic calculations in Quantum Field Theory, is presented. The Q F T package`s routines extend the standard MapleV computational domain by introducing representations for anti commutative and noncommutative objects, tensors, spinors and gauge fields, as well as related objects and procedures (Dirac matrices, differential operators, functional differentiation w.r.t indexed fields, sum rule for repeated indices, etc.). Furthermore, the Q F T routines permit the user-definition of algebra rules for the commutation/ anti commutation of operators, to be taken into account during the calculations. (author) 2 refs.

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 possibility of Pt-Cr surface alloys formation on Pt(0 0 1) was investigated and their magnetism was calculated by the full-potential linearized augmented plane wave (FLAPW) method with eight different atomic configurations. The most stable structure was calculated to be the Pt-segregated L1_2 ferromagnetic surface alloy. A_3B types (L1_2 or D0_2_2) were more stable compared to AB types (L1_0). It implies that the A_3B type surface alloys may be formed when depositing a monolayer of Cr on Pt(0 0 1). It was found from the total energy calculations that there exists a strong tendency of the Pt segregation. The segregation further stabilizes the surface alloy significantly. The work function of the most stable surface alloy was calculated to be 6.02 eV and the magnetic moment of the surface Cr was much enhanced to 3.3 #mu# _B. It is a quite interesting finding that the coupling ...

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. ...

International Nuclear Information System (INIS)

The detailed features of the calculated energy-level schemes and of the single-particle, orbit-occupancy properties of the low-lying levels of the N=50 isotones "8"0Zn, "8"1Ga, "8"2Ge, "8"3As, "8"4Se, "8"5Br, "8"6Kr, and "8"7Rb are presented and discussed. These results are obtained with a new effective Hamiltonian operator obtained empirically from an iterative fit to experimental energies taken from all experimentally studied (A=82--96) N=50 nuclei. The model space for the calculations consists of active 0f/sub 5/2/, 1p/sub 3/2/, 1p/sub 1/2/, and 0g/sub 9/2/ proton orbits relative to a nominal "7"8Ni core. This space is truncated internally by restricting the number of particles excited from the negative-parity orbits into the g/sub 9/2/ orbit to be no greater than four. The typical structures predicted for these lighter N=50 isotones are found to be dominated by well-mixed combinations of fp-orbit configurations, with ...

Energy Technology Data Exchange (ETDEWEB)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher than the radiative ...

Science.gov (United States)

It is shown that the extended softening in k space of the [111] transverse acoustic phonon in Nb3Sn 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.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.

International Nuclear Information System (INIS)

The electron-phonon coupling constant lambda has been calculated for vanadium. The electron energy bands and wave functions were obtained from a model augmented plane wave muffin-tin potential. The electron-phonon matrix elements were evaluated using the rigid-ion approximation and the measured phonon spectra. The results show that lambda is strongly affected by d-f scattering.

Energy Technology Data Exchange (ETDEWEB)

In this paper para boson-fermion supersymmetry is exemplified in simple oscillator systems. The parasupercharge satisfies the ordinary supersymmetry algebra. The parabosonic and parafermionic oscillators do not commute and the energy spectra are non-trivial for even the one level system. The authors calculate the partition functions and compare with those for the non-supersymmetric systems.

Energy Technology Data Exchange (ETDEWEB)

After reviewing some of the mathematical foundations and numerical difficulties facing lattice QCD, I review the status of several calculations relevant to experimental high-energy physics. The topics considered are moments of structure functions, which may prove relevant to search for new phenomena at the LHC, and several aspects of flavor physics, which are relevant to understanding CP and flavor violation.

Energy Technology Data Exchange (ETDEWEB)

The nuclear interaction probability of light charged particles in BaF[sub 2] crystals has been studied as a function of the incident particle energy. Light charged particles were identified in charge and mass by measuring their magnetic rigidity and their time-of-flight. The percentage of particles undergoing nuclear interactions has been measured for particles of charge from Z=1 to Z=6 and the experimental data are compared with the results of a model calculation. (orig.)

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Solid state effects are taken into account in an internal conversion coefficients computation by using Wigner-Seitz boundary conditions. Both the bound and free electron wave functions are calculated from an atomic Dirac-Hartree-Fock-Slater self consistent potential. These internal conversion coefficients are compared with those obtained from the usual free atom boundary conditions. (orig.).

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

KoreaScience (Korea)

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KoreaScience (Korea)

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International Nuclear Information System (INIS)

The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and ...

Science.gov (United States)

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

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)

The seismic analysis of nuclear island of Daya Bay Nuclear Power Plant (NPP) was just in accordance with the approaches in RCC-G standard for the model M310 in France, in which the simplified impedance matrix method was employed for the consideration of soil's function. In this paper the more sophisticated 3D half-space continuum impedance method based on the Green functions is used to analyze the function of soil. In addition, multi-group of input time histories was used in the seismic response analysis in the existing design and their average of responses for each group was taken as the design basis. The same multi-group of input time histories was used in the seismic response analysis in this study, but the average and enveloped value of responses for each case are calculated respectively to account for the uncertainty of input motions. Focused on the above two issues, the seismic responses of the ...