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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Reliable Spectroscopic Constants for CCH-, NH2- and Their Isotopomers from an Accurate Potential Energy Function

Accurate quartic force fields have been determined for the CCH- and NH2- molecular anions using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). Very large one-particle basis sets have been used including diffuse functions and up through g-type functions. Correlation of the nitrogen and carbon core electrons has been included, as well as other "small" effects, such as the diagonal Born-Oppenheimer correction, and basis set extrapolation, and corrections for higher-order correlation effects and scalar relativistic effects. Fundamental vibrational frequencies have been computed using standard second-order perturbation theory as well as variational methods. Comparison with the available experimental data is presented and discussed. The implications of our research for the astronomical observation of molecular anions will be discussed.

Lee, Timothy J.↗
DOE OSTI2012

Towards the island of stability with relativistic energy density functionals

Relativistic energy density functionals (REDF) provide a complete and accurate, global description of nuclear structure phenomena. Modern semi-empirical functionals, adjusted to the nuclear matter equation of state and to empirical masses of deformed nuclei, are applied to studies of shapes of superheavy nuclei. The theoretical framework is tested in a comparison to empirical masses, quadrupole deformations, and energy barriers of actinide nuclei. The model is used in a self-consistent mean-field calculation of spherical, axial and triaxial shapes of superheavy nuclei, alpha-decay energies and lifetimes. The effect of explicit treatment of collective correlations is analyzed in calculations that consistently use a collective Hamiltonian model based on REDFs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Energy density functional and sensitivity of energies of giant resonances to bulk nuclear matter properties

The development of a modern and more realistic nuclear energy density functional (EDF) for accurate predictions of properties of nuclei is the subject of enhanced activity, since it is very important for the study of properties of nuclear matter (NM), giant resonances and, in particular, of properties of rare nuclei with unusual neutron-to-proton ratios. Here, we provide a short review of the current status of the nuclear EDF and the theoretical results obtained for properties of nuclei and nuclear matter. We will first describe a method for determining the parameters of the EDF, associated with the Skyrme type effective interaction, by carrying out a Hartree-Fock based fit to extensive set of data of ground state properties and constraints. Next we will describe the fully self-consistent Hartree-Fock (HF) based random-phase-approximation (RPA) theory for calculating the strength functions S(E) and centroid energies E CEN of giant resonances and the folding model (FM) distorted wave Вorn approximation (DWBA) to calculate the excitation cross section of giant resonances by α scattering. Then we will provide results for: (i) the Skyrme parameters of the KDE0v1 EDF; (ii) consequences of violation of self-consistently in HF-based RPA; (iii) FM-DWBA calculation of excitation cross section; (iv) values of the E CEN of isoscalar and isovector giant resonances of multipolarities L=0–3 for a wide range of spherical nuclei, using 33 EDFs associated with standard form of the Skyrme type interactions, commonly employed in the literature; and (v) the sensitivities E CEN of the giant resonances to bulk properties of NM. We also determine constraints on NM properties, such as the incompressibility coefficient and effective mass, by comparing with experimental data on E CEN of giant resonances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Tunable noninteracting free-energy density functionals for high-energy-density physics applications

In this work, we introduce the concept of a tunable noninteracting free-energy density functional and present two examples realized: (i) via a simple one-parameter convex combination of two existing functionals and (ii) via the construction of a generalized gradient approximation (GGA) enhancement factor that contains one free parameter and is designed to satisfy a set of incorporated constraints. Functional (i), constructed as a combination of the local Thomas–Fermi and a pseudopotential-adapted GGA for the noninteracting free-energy, has already demonstrated its practical usability for establishing the high temperature end of the equation of state of deuterium [Phys. Rev. B 104, 144104 (2021)] and CHON resin [Phys. Rev. E 106, 045207 (2022)] for inertial confinement fusion applications. Hugoniot calculations for liquid deuterium are given as another example of how the application of computationally efficient orbital-free density functional theory (OF-DFT) can be utilized with the employment of the developed functionals. Once the functionals have been tuned such that the OF-DFT Hugoniot calculation matches the Kohn–Sham solution at some low-temperature point, agreement with the reference Kohn–Sham results for the rest of the high temperature Hugoniot path is very good with relative errors for compression and pressure on the order of 2% or less.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Measurement of runaway electron energy distribution function during high-Z gas injection into runaway electron plateaus in DIII-D

The evolution of the runaway electron (RE) energy distribution function f{sub ε} during massive gas injection into centered post-disruption runaway electron plateaus has been reconstructed. Overall, f{sub ε} is found to be much more skewed toward low energy than predicted by avalanche theory. The reconstructions also indicate that the RE pitch angle θ is not uniform, but tends to be large at low energies and small θ ∼ 0.1–0.2 at high energies. Overall power loss from the RE plateau appears to be dominated by collisions with background free and bound electrons, leading to line radiation. However, the drag on the plasma current appears to be dominated by collisions with impurity ions in most cases. Synchrotron emission appears not to be significant for overall RE energy dissipation but may be important for limiting the peak RE energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1983

Imaging performance of annular apertures. IV - Apodization and point spread functions. V - Total and partial energy integral functions

Reference is made to a study by Tschunko (1979) in which it was discussed how apodization modifies the modulation transfer function for various central obstruction ratios. It is shown here how apodization, together with the central obstruction ratio, modifies the point spread function, which is the basic element for the comparison of imaging performance and for the derivation of energy integrals and other functions. At high apodization levels and lower central obstruction (less than 0.1), new extended radial zones are formed in the outer part of the central ring groups. These transmutation of the image functions are of more than theoretical interest, especially if the irradiance levels in the outer ring zones are to be compared to the background irradiance levels. Attention is then given to the energy distribution in point images generated by annular apertures apodized by various transmission functions. The total energy functions are derived; partial energy integrals are determined; and background irradiance functions are discussed.

Tschunko, H. F. A.↗
DOE OSTI2012

Density-dependent covariant energy density functionals

Relativistic nuclear energy density functionals are applied to the description of a variety of nuclear structure phenomena at and away fromstability line. Isoscalar monopole, isovector dipole and isoscalar quadrupole giant resonances are calculated using fully self-consistent relativistic quasiparticle randomphase approximation, based on the relativistic Hartree-Bogoliubovmodel. The impact of pairing correlations on the fission barriers in heavy and superheavy nuclei is examined. The role of pion in constructing desnity functionals is also investigated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Nuclear clustering in the energy density functional approach

Nuclear Energy Density Functionals (EDFs) are a microscopic tool of choice extensively used over the whole chart to successfully describe the properties of atomic nuclei ensuing from their quantum liquid nature. In the last decade, they also have proved their ability to deal with the cluster phenomenon, shedding a new light on its fundamental understanding by treating on an equal footing both quantum liquid and cluster aspects of nuclei. Such a unified microscopic description based on nucleonic degrees of freedom enables to tackle the question pertaining to the origin of the cluster phenomenon and emphasizes intrinsic mechanisms leading to the emergence of clusters in nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Statistical measurement of the gamma-ray source-count distribution as a function of energy

Statistical properties of photon count maps have recently been proven as a new tool to study the composition of the gamma-ray sky with high precision. We employ the 1-point probability distribution function of six years of Fermi-LAT data to measure the source-count distribution dN/dS and the diffuse components of the high-latitude gamma-ray sky as a function of energy. To that aim, we analyze the gamma-ray emission in five adjacent energy bands between 1 and 171 GeV. It is demonstrated that the source-count distribution as a function of flux is compatible with a broken power law up to energies of ∼50 GeV. The index below the break is between 1.95 and 2.0. For higher energies, a simple power-law fits the data, with an index of 2.2{sub −0.3}{sup +0.7} in the energy band between 50 and 171 GeV. Upper limits on further possible breaks as well as the angular power of unresolved sources are derived. We find that point-source populations probed by this method can explain 83{sub −13}{sup +7}% (81{sub −19}{sup +52}%) of the extragalactic gamma-ray background between 1.04 and 1.99 GeV (50 and 171 GeV). The method has excellent capabilities for constraining the gamma-ray luminosity function and the spectra of unresolved blazars.

79 ASTRONOMY AND ASTROPHYSICS↗