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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Search for resonant absorption of solar axions emitted in M1-transitions in {sup 83}Kr nuclei: Second stage of the experiment

Axions with energies of 9.4 keV putatively produced in the Sun via an M1-transition in the {sup 83}Kr nucleus are searched for using the reaction of resonant absorption: A +{sup 83}Kr →{sup 83}Kr* →{sup 83}Kr + γ, e (9.4 keV). The γ-quanta and electrons are detected with a proportional counter filled with krypton and placed in a low-background setup. A new upper limit on the axion–nucleon coupling constant is imposed: |g{sup 3}{sub AN} g{sup 0}{sub AN}|≤1.02 10{sup 6}. For the hadronic axion, this implies a new upper limit on the axion mass: m{sub A }≤ 79eV at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Energy levels, lifetimes and radiative data of W LV

Calculations of energy levels, radiative data and lifetimes are reported for tungsten Ca-like ion (W LV) by using multi-configuration Dirac–Fock (MCDF) method. The GRASP2K package is adopted to carry out a large-scale systematic computation with a restricted active space treatment; the Breit interaction and QED effects are included in subsequent relativistic configuration interaction calculations. The energies and lifetimes of the lowest 119 levels are listed; the main leading configuration of the levels is of the ground state configuration [Ne]3s{sup 2}3p{sup 6}3d{sup 2} and the first excited configuration [Ne]3s{sup 2}3p{sup 5}3d{sup 3}. The wavelengths, radiative rates and oscillator strengths for relatively strong E1, E2, M1, and M2 transitions are listed. Comparisons with earlier experimental and theoretical values are made. The average relative deviations of energy levels from the NIST results and E1 transition wavelengths from the EBIT experimental results have turned to be only 0.20% and 0.13%, respectively. The other present results are in reasonable agreement with available data. These agreements confirm the reliability and accuracy of the current results. The present datasets may help us with the investigation of the electron–electron correlation effects in complex multi-electron highly charged heavy ions and of the diagnosis of tungsten impurity plasmas in fusion science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Large-scale calculations of atomic level and transition properties in the aluminum isoelectronic sequence from Ti X through Kr XXIV, Xe XLII, and W LXII

Large-scale self-consistent multiconfiguration Dirac–Hartree–Fock subsequent relativistic configuration interaction (RCI) calculations are reported for 360 states belonging to the 30 configurations 3s{sup 2}{3l,4l,5l}, 3p{sup 2}{3d,4l}, 3s{3p"2,3d"2}, 3s{3p3d,3p4l,3p5s,3d4l"′}, 3p3d{sup 2}, 3p{sup 3} and 3d{sup 3} with l=0,1,…,n−1 and l{sup ′}=0,1,2 in 17 systems of the aluminum-like isoelectronic sequence: Ti X through Kr XXIV, Xe XLII, and W LXII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions (CSF) and calculated energy levels are compared with existing theoretical calculations and the NIST Atomic Spectra database. Radiative E1, E2, M1 and M2 transition rates and associated lifetimes of energy levels are presented in online tables. The uncertainties of the calculated energies are very small, on average between 0.02% and 0.05%, which aid new line identifications in laboratory and astronomical spectra and also make it possible to find and rule out misidentifications. The uncertainties of the E1 transition probabilities, based on the agreement between values in the length and velocity gauges, are estimated to be of the order 0.5% for the strong transitions and 25% for the weaker intercombination transitions. The M1 transition values are not sensitive to electron correlation and are believed to be accurate to well within 1%.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Energy levels and radiative rates for transitions in Cr-like Kr XIII, Tc XX and Xe XXXI

Energy levels, radiative transition probabilities, Landé g-factors, and radiative lifetimes are reported for 144 levels of the 3p{sup 6}3d{sup 6} and 3p{sup 5}3d{sup 7} configurations of the Cr-like ions Kr XIII, Tc XX and Xe XXXI. Since to our knowledge no prior data for energy levels or A-values, experimental or theoretical, are available in the literature for these ions, calculations have been performed with three independent atomic structure codes, namely GRASP, FAC and a code implementing the QR approach, with increasing configuration interaction (CI) basis with each code. This is to establish the accuracy of the calculated results so that data can be confidently applied in the modeling of plasmas. Our recommended data are determined within the QR approach, because not only has the largest CI basis been included in this calculation, the reliability has already been established in our earlier work for other Cr-like ions, for which some experimental and theoretical data were available for comparison. Results for radiative rates (A-values) and transition wavelengths (λ) are listed for all strong E1, E2 and M1 transitions among the 144 levels of each ion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

High-accuracy multi-configuration Dirac–Hartree–Fock calculations of the energy levels and transition properties of Ga-like to Br-like gadolinium ions

Highlights: • A complete and accurate data set of excitation energies, lifetimes, wavelengths and E1, M1, E2, M2 and E3 line strengths, transition rates, and oscillator strengths for Ga-like to Br-like Gd ions is reported. • The Multi-configuration Dirac–Hartree–Fock method is employed. • The effects of core–valence electron correlation from the deep subshells 3d and 3p have been investigated. • The computed excitation energies from the present MCDHF calculations of the VV+CV{sub 3d}+CV{sub 3p} model agree well with the experimental values. The differences are less than ±0.1% for most of the levels. - Abstract: Theoretical calculations of Ga-like to Br-like gadolinium ions were performed by using the fully relativistic multi-configuration Dirac–Hartree–Fock (MCDHF) method. Extensive lists of excitation energies, wavelengths, line and oscillator strengths, and E1, M1, E2, M2, and E3 transition rates are presented. The effects of core–valence electron correlation from the deep subshells 3d and 3p are investigated and the accuracy of the results is confirmed by comparing with available theoretical and experimental data sets.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Radiative rates for E1, E2, M1, and M2 transitions in F-like ions with 55≤Z≤73

Energy levels, radiative rates and lifetimes are reported for 19 F-like ions with 55≤Z≤73, among 113 levels of the 2s{sup 2}2p{sup 5}, 2s2p{sup 6}, 2s{sup 2}2p{sup 4}3ℓ, 2s2p{sup 5}3ℓ, and 2p{sup 6}3ℓ configurations. The general-purpose relativistic atomic structure package (grasp) has been adopted for the calculations, and radiative rates (and other associated parameters, such as oscillator strengths and line strengths) are listed for all E1, E2, M1, and M2 transitions of the ions. Comparisons are made with earlier available theoretical and experimental energies, especially for Ba XLVIII. Nevertheless, calculations have also been performed with the flexible atomic code (fac), and with a much larger configuration interaction with up to 38 089 levels, for further accuracy assessments, particularly for energy levels.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

The study of the core–valence and core–core correlation effects on the radiative properties along the magnesium isoelectronic sequence

We investigated the effect of core–valence and core–core correlations on the energy levels and transition probabilities along the Mg isoelectronic sequence from Si{sup 2+} to U{sup 80+}. In order to attain a certain accuracy for the atomic structure we considered configurations obtained by electron promotions from the n=3 up to n=7 valence shells. Core–valence and core–core correlations are systematically included in the model by allowing single and double electron promotions from the n=2 core up to the n=6 and n=5 shells with l≤4 and l≤2, respectively. The present results contain the energy of the levels arising from the valence configurations along with oscillator strengths and radiative rates corresponding to E1, M1, E2, M2 transitions between states arising from 3l3l{sup ′} with l,l{sup ′}≤2 and 3snl{sup ′′} with n≤7 and l{sup ′′}≤4 configurations. We conclude the data accuracy trend along the magnesium isoelectronic sequence as a result of the detailed study of the correlation effects on the radiative properties. The core–valence correlations generally improve both energy and radiative rate values, while the core–core correlations mostly give better oscillator strengths but may slightly increase the energy deviations. The calculations have been performed by employing the fully relativistic model-potential Flexible Atomic Code.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Radiative rates for E1, E2, M1, and M2 transitions in Ne-like Cu XX, Zn XXI and Ga XXII

Energy levels, radiative rates and lifetimes are reported for the lowest 139 levels of three Ne-like ions, namely Cu XX, Zn XXI and Ga XXII. These levels mostly belong to the 2s{sup 2}2p{sup 6}, 2s{sup 2}2p{sup 5}3ℓ, 2s2p{sup 6}3ℓ, 2s{sup 2}2p{sup 5}4ℓ, 2s2p{sup 6}4ℓ, and 2s{sup 2}2p{sup 5}5ℓ configurations. For the calculations the general-purpose relativistic atomic structure package (GRASP) has been adopted. Comparisons are made with earlier available theoretical and experimental results, particularly among the lowest 27 levels of the 2s{sup 2}2p{sup 6} and 2s{sup 2}2p{sup 5}3ℓ configurations. Due to paucity of similar data for higher lying levels, analogous calculations have also been performed with the flexible atomic code (FAC). These calculations help in assessing the accuracy of our calculated results, especially for the energy levels.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Radiative rates for E1, E2, M1, and M2 transitions in Ne-like Hf LXIII, Ta LXIV and Re LXVI

Calculations for energy levels, radiative rates and lifetimes have been performed for three Ne-like ions, namely Hf LXIII, Ta LXIV and Re LXVI, for which the general-purpose relativistic atomic structure package (GRASP) has been adopted. Results are presented among the lowest 121 levels of these ions, which belong to the 2s{sup 2}2p{sup 6}, 2s{sup 2}2p{sup 5}3ℓ, 2s2p{sup 6}3ℓ, 2s{sup 2}2p{sup 5}4ℓ, 2s2p{sup 6}4ℓ, and 2s{sup 2}2p{sup 5}5ℓ configurations, but CI (configuration interaction) has been considered among a much larger number of levels. No measurements for energy levels are available but comparisons have been made with the earlier similar theoretical results. Additionally, calculations have also been performed with the flexible atomic code (FAC) in order to assess the effect of (much) larger CI on energy levels.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Multiconfiguration Dirac–Hartree–Fock energy levels, weighted oscillator strengths, transitions probabilities, lifetimes, hyperfine constants, Landé g-factors and isotope shifts of Xe LIII

Energy levels, weighted oscillator strengths and transition probabilities, lifetimes, hyperfine interaction constants, Landé g{sub J} factors and isotope shifts are calculated for all levels of 1s{sup 2} and 1snl (n=2−7) configurations of He-like xenon ion (Xe LIII). Multiconfigurational Dirac–Hartree–Fock (MCDHF) method is adopted for calculating these spectroscopic data. Comparisons are made with similar data obtained with FAC (Flexible Atomic Code) to assess the accuracy of the results. Transition probabilities are reported for all E1, E2, M1 and M2 transitions from the ground level. Breit interactions and quantum electrodynamics effects are estimated in extensive Relativistic Configuration Interaction (RCI) calculations. Comparisons were made with the available data in the literature and good agreement was found which confirms the reliability of our results. The accuracy of the present calculations is high enough to facilitate identification of many observed spectral lines. Almost all atomic data of He-like xenon ion presented in this paper are calculated for the first time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Calculations of energies, transition rates, and lifetimes for the fluorine-like isoelectronic sequence with Z=31−35

Employing two state-of-the-art methods, multiconfiguration Dirac–Hartree–Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 200 fine-structure levels arising from the 2l{sup 7},2l{sup 6}3l{sup ′} and 2l{sup 6}4l{sup ′} configurations of the fluorine-like isoelectronic sequence with Z=31−35. Complete and consistent atomic data, including excitation energies, lifetimes, wavelengths, and E1, E2, M1, M2 line strengths, oscillator strengths, and transition rates among these 200 levels are provided. Comparisons are made between the present two data sets, as well as with other available experimental and theoretical values. The present data are accurate enough for identification and deblending of emission lines involving the n=3,4 levels, and are also useful for modeling and diagnosing fusion plasmas.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Relativistic large scale CI calculations of energies, transition rates and lifetimes in Ca-like ions between Co VIII and Zn XI

Energies, E1, E2 and M1 transition rates and lifetimes are reported for the lowest 134 fine-structure levels of the 3p{sup 6}3d{sup 2}, 3p{sup 6}3d4s, 3p{sup 5}3d{sup 3} and 3p{sup 6}3d4p configurations in all Ca-like ions between Co VIII and Zn XI. The calculations have been performed using the multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods. Important core–valance and core–core electron correlation effects are systematically accounted with large scale configuration interaction expansion. The Breit interaction and leading quantum-electrodynamical (QED) contributions such as the vacuum polarization and self-energy corrections are also included in the RCI calculations. The results are compared with the compiled data from the NIST ASD and other calculations to evaluate the accuracy of the present calculations. Our results have good agreement with previous relativistic many-body perturbation theory (RMBPT) calculations and the data from the NIST ASD, except for Zn XI. Present calculations provide some missing data, especially for Cu X and Zn XI, in the NIST ASD.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Radiative rates for E1, E2, M1, and M2 transitions in F-like ions with 12 ≤ Z ≤ 23

In this paper, energy levels, radiative rates and lifetimes are reported for 11 F-like ions with 12 ≤ Z ≤ 23. Up to 198 levels (depending on the ion) have been considered which include 113 of the 2s{sup 2}2p{sup 5}, 2s2p{sup 6}, 2s{sup 2}2p{sup 4}3ℓ, 2s2p{sup 5}3ℓ, and 2p{sup 6}3ℓ configurations. The general-purpose relativistic atomic structure package (grasp) and the flexible atomic code (fac) have been adopted for calculating the energy levels, but the grasp alone for the remaining parameters. Radiative rates (along with oscillator strengths and line strengths) are listed for all E1, E2, M1, and M2 transitions of the ions. Comparisons are made with earlier available theoretical and experimental energies, for all ions, in order to assess the accuracy of the calculations. Comparisons have also been made for the radiative rates and lifetimes, which have been possible for only those among the lowest 60 levels.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Energies and transition parameters of fusion interest in Cr-like ions between Hf XLIX and Au LVI

Using fully relativistic multiconfiguration Dirac–Fock (MCDF) wavefunctions in an active space approximation, we perform systematic calculations of the energies, wavelengths, and lifetimes for the lowest 143 levels belonging to the 3p{sup 6}3d{sup 6} and 3p{sup 5}3d{sup 7} configurations of Cr-like ions between Hf XLIX and Au LVI. Additionally, line strengths, oscillator strengths, and radiative rates for the electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among these levels are reported. In the calculations, the contributions from Breit interaction (BI) and quantum electrodynamics (QED) corrections to the wave functions are taken into account (the addition of the BI and QED in CI affects both the wave functions and the level energies). For some excited states, there are no other theoretical and/or experimental data to compare with to illustrate the quality of our results/assess the accuracy. A similar calculation has been performed with the Flexible Atomic Code (FAC), using W LI as an example. The results obtained in this work are compared with the data compiled in the Atomic Spectra Database (ASD) of the National Institute of Standards and Technology (NIST) and other available theoretical/experimental information. Satisfactory agreement is found between them. The energies agree within 0.8% with the experimental results, and the M1 transition rates agree within 5% with other theoretical results. The present results are more extensive than those from previous calculations and considerably expand the existing data sets for Cr-like ions. This study should be beneficial for the analysis of experimental spectra and modeling of fusion plasmas.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Nuclear Data Sheets for A = 41

Available information pertaining to the nuclear structure of all nuclei with mass numbers A=41 ranging from Al (Z=13) to Ti (Z=22) are presented. The experimental reaction and decay data are evaluated and any inconsistencies or discrepancies are noted. The adopted values for various level properties (such as the spin, parity and and halflife) and gamma properties (energy, intensity and multipole character) are given. Since the prior evaluation several new measurements have expanded our knowledge of A=41 nuclides. The half-life of the ground state of {sup 41}Si has been determined and a single excited state identified. Excited levels in {sup 41}P have been observed for the first time. In {sup 41}Cl, seven new excited states have been identified in deep inelastic and heavy ion transfer reactions. Half-lifes for four states in {sup 41}Ar have been updated and additional levels with gammas have been included from a new measurement using the multiple ion transfer reaction. In {sup 41}Ca via charge-exchange reaction measurements, several new excited states were observed. A number of new resonances in {sup 41}K have been identified via the (p,γ) reaction. There remains a significant discrepancy in the half-life of the first excited state (980 keV) in {sup 41}K, with measurements differing by more than an order of magnitude. Transfer reactions suggest that this M1 transition should be l-forbidden, however, several measurements yield a lifetime which suggests a sizable M1 strength. Further measurements to resolve the current conflicts would be beneficial.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

White emission materials from glass doped with rare Earth ions: A review

Solid State Lighting (SSL) based devices are predicted to play a crucial role in the coming years. Development of W-LED, which have an edge over traditional lighting sources due to their compact size, higher reliability, shock resistance, interesting design possibilities, higher transparency and an extremely long lifetime. Over the fifteen trivalent lanthanide ions, Dy{sup 3+} ions doped glasses are most appropriate for white light generation because of the fact that it exhibits two intense emission bands corresponds to the {sup 4}F{sub 9/2}→{sup 6}H{sub 15/2} (magnetic dipole) and {sup 4}F{sub 9/2}→{sup 6}H{sub 13/2} (electric dipole) transitions at around 480-500 nm and 580-600 nm pertaining to blue and yellow regions respectively. In this work, the developments of Dy3+ doped in several glass structures for white emitting materials application have reviewed. Properties of Dy{sup 3+} doped in glasses were discussed for use as a solid state lighting materials application.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Optical activity of chirally distorted nanocrystals

We develop a general theory of optical activity of semiconductor nanocrystals whose chirality is induced by a small perturbation of their otherwise achiral electronic subsystems. The optical activity is described using the quantum-mechanical expressions for the rotatory strengths and dissymmetry factors introduced by Rosenfeld. We show that the rotatory strengths of optically active transitions are decomposed on electric dipole and magnetic dipole contributions, which correspond to the electric dipole and magnetic dipole transitions between the unperturbed quantum states. Remarkably, while the two kinds of rotatory strengths are of the same order of magnitude, the corresponding dissymmetry factors can differ by a factor of 10{sup 5}. By maximizing the dissymmetry of magnetic dipole absorption one can significantly enhance the enantioselectivity in the interaction of semiconductor nanocrystals with circularly polarized light. This feature may advance chiral and analytical methods, which will benefit biophysics, chemistry, and pharmaceutical science. The developed theory is illustrated by an example of intraband transitions inside a semiconductor nanocuboid, whose rotatory strengths and dissymmetry factors are calculated analytically.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Sensitivity of the CUORE detector to 14.4 keV solar axions emitted by the M1 nuclear transition of {sup 57}Fe

In this paper we present a calculation of the sensitivity of the CUORE detector to the monoenergetic 14.4 keV solar axions emitted by the M1 nuclear transition of {sup 57}Fe in the Sun and detected by inverse coherent Bragg-Primakoff conversion in single-crystal TeO{sub 2} bolometers. The expected counting rate is calculated using density functional theory for the electron charge density of TeO{sub 2} and realistic background and energy resolution of CUORE. Monte Carlo simulations for 5y × 741 kg=3705 kg y of exposure are analyzed using time correlation of individual events with the theoretical time-dependent counting rate. We find an expected model-independent limit on the product of the axion-photon coupling and the axion-nucleon coupling g{sub aγγ}g{sub aN}{sup eff} < 1.105 × 10{sup −16} /GeV for axion masses less than 500 eV with 95% confidence level.

79 ASTRONOMY AND ASTROPHYSICS↗