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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Thermodynamic origins of the solvent-dependent stability of lithium polysulfides from first principles

An understanding of the complex solution phase chemistry of dissolved lithium polysulfides is critical to approaches aimed at improving the cyclability and commercial viability of lithium sulfur batteries. Experimental measurements are frustrated by the versatile sulfur–sulfur bond, with spontaneous disproportionation and interconversion leading to unknown equilibrium distributions of polysulfides with varying lengths and charge states. The solubility of isolated lithium polysulfides is calculated from first-principles molecular dynamics simulations. We explore the associated changes in the dissolution free energy, enthalpy and entropy in two regimes: liquid-phase monodentate solvation in dimethylformamide (DMF) and polymer-like chelation in bis(2-methoxyethyl) ether (diglyme). In both of these technologically relevant solvents, we show that the competition between enthalpy and entropy, related to specific interfacial atomic interactions, conspires to increase the relative stability of long chain dianionic species, which exist as Li + –LiS x - contact-ion-pairs. Further, we propose a mechanism of radical polysulfide stabilization in simple solvents through the reorientation of the 1 st shell solvent molecules to screen electrostatic fields emanating from the solute and explain nonmonotonicity of the dissolution entropy with polysulfide length in terms of a three-shell solvation model. Finally, our analysis provides statistical dynamics insights into polylsulfide stability, useful to understand or predict the relevant chemical species present in the solvent at low concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The scale dependence of single-nucleon shell structure

We address the scale dependence of (effective) single-particle energies, non-observable quantities that are commonly used for interpreting nuclear structure observables measured in experiments and computed in many-body theories. We first demonstrate their scale dependence on a formal level, making them intrinsically theoretical objects, before illustrating this point via ab initio calculations in the oxygen isotopes. Finally, we consider a modified definition of effective single-particle energy and investigate its running properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Decay spectroscopy of neutron-rich rare-earth isotopes and collectivity around double midshell

Neutron-rich rare-earth isotopes with A ≈ 170, which locate near the middle of the major shells for both proton and neutron between the doubly magic nuclei {sup 132}Sn and {sup 208}Pb, have been investigated by means of decay spectroscopy techniques at the RIBF facility at RIKEN. The nuclei of interest were produced by in-flight fission of a high-intensity {sup 238}U beam at 345 MeV/u. In this contribution, scientific motivations, the details of experimental procedures, and some prospects of the data analysis are reported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Heavy rotation – evolution of quadrupole collectivity centred at the neutron-rich doubly mid-shell nucleus {sup 170}Dy

In this contribution the low-excitation structural properties of the doubly mid-shell nucleus {sup 170}Dy are discussed, with a special empasis on the evolution of the ground state rotational band within the dysprosium isotopic chain. Recent results from an experiment with the EURICA setup at RIKEN are shown in the context of previous measurements at the PRISMA+CLARA as well as the PRISMA+AGATA setups at Laboratori Nazionali di Legnaro. A brief outlook on future planned measurements is also given.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spectroscopy of low-lying states in neutron-deficient astatine and francium nuclei

Low-lying states in neutron-deficient astatine and francium nuclei have been studied by means of in-beam and delayed spectroscopy. The 13/2{sup +} state has been observed in francium nuclei with a similar down-sloping trend as in neighbouring astatine and bismuth isotopes, as a function of decreasing neutron number. A systematic trend can also now be seen for the 1/2{sup +} state both in astatine and francium nuclei, where the level energy decreases steeply as a function of neutron number when moving further away from the neutron shell closure. This trend is very similar between astatine nuclei and their francium isotones. Moreover, shape coexistence has been observed between the 13/2{sup +} state and the spherical 9/2{sup −} ground state in {sup 203}Fr and {sup 205}Fr.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Impact of pion dynamics on nuclear shell structure

Spin-isospin response in exotic nuclear systems is investigated. It is found that in some nuclei excitations with pionic quantum numbers (0{sup −}, 1{sup +}, 2{sup −}, …) appear at very low energies with large transition probabilities, which is an indication of the vicinity of the onset of pion condensation. As an example, 2{sup −} components of the spin-dipole resonance in {sup 78}Ni and {sup 132}Sn are considered. The existence of such modes points out to the necessity of taking into account their coupling to other elementary modes of excitation, e.g. single-quasiparticle ones. This coupling is introduced in the theory for the first time. Thereby, both rho-meson and pion-exchange contributions to the nucleon-nucleon interaction are included in the relativistic framework beyond the Hartree-Fock approximation. Namely, classes of Feynman diagrams are selected according to their significance for nuclear spectroscopic characteristics, such as single-particle energies and strength functions, and included into the nucleonic self-energy in all orders of meson-exchange. As an illustration, the impact of these new contributions on the single-particle energies of {sup 100}Sn is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Direct reaction experimental studies with beams of radioactive tin ions

The tin chain of isotopes provides a unique region in which to investigate the evolution of single-particle structure, spreading from N = 50 at {sup 100}Sn, through 10 stable isotopes and the N = 82 shell closure at {sup 132}Sn out into the r-process path. Direct reactions performed on radioactive ion beams are sensitive spectroscopic tools for studying exotic nuclei. Here we present one experiment knocking out neutrons from tin isotopes that are already neutron deficient and two reactions that add a neutron to neutron-rich {sup 130}Sn. Both techniques rely on selective particle identification and the measurement of γ rays in coincidence with charged ions. We present the goals of the two experiments and the particle identification for the channels of interest. The final results will be presented in future publications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

A FULL STUDY ON THE SUN–EARTH CONNECTION OF AN EARTH-DIRECTED CME MAGNETIC FLUX ROPE

We present an investigation of an eruption event of a coronal mass ejection (CME) magnetic flux rope (MFR) from the source active region (AR) NOAA 11719 on 2013 April 11 utilizing observations from the Solar Dynamic Observatory, the Solar Terrestrial Relations Observatory, the Solar and Heliospheric Observatory, and the WIND spacecraft. The source AR consists of a pre-existing sigmoidal structure stacked over a filament channel which is regarded as an MFR system. EUV observations of low corona suggest further development of this MFR system by added axial flux through tether-cutting reconnection of loops at the middle of the sigmoid under the influence of continuous slow flux motions for two days. Our study implies that the MFR system in the AR is initiated to upward motion by kink instability and further driven by torus instability. The CME morphology, captured in simultaneous three-point coronagraph observations, is fitted with a Graduated Cylindrical Shell (GCS) model and discerns an MFR topology with its orientation aligning with a magnetic neutral line in the source AR. This MFR expands self-similarly and is found to have source AR twist signatures in the associated near-Earth magnetic cloud (MC). We further derived the kinematics of this CME propagation by employing a plethora of stereoscopic as well as single-spacecraft reconstruction techniques. While stereoscopic methods perform relatively poorly compared to other methods, fitting methods worked best in estimating the arrival time of the CME compared to in situ measurements. Supplied with the values of constrained solar wind velocity, drag parameter, and three-dimensional kinematics from the GCS fit, we construct CME kinematics from the drag-based model consistent with in situ MC arrival.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

In-beam 𝛾-ray spectroscopy of 29 S populated in direct knockout, dissipative reactions, and fragmentation

Excited states in the neutron-deficient nucleus 29 S were populated in one-neutron knockout and several-nucleon removal reactions and studied using in-beam 𝛾-ray spectroscopy. New excited states and 𝛾-ray transitions were established using the Segmented Germanium Array SeGA and the 𝛾-ray tracking array GRETINA. The new transitions observed in the highly dissipative tail of the parallel momentum distribution from one-nucleon knockout and in five- and nine-nucleon removal reactions were utilized to calculate mirror energy differences with 29 Al . Highly dissipative reactions further prove to be a valuable tool in populating excited states typically inaccessible in direct reactions. The relative populations of the states in 29 S from the several-nucleon removal reactions were found to be consistent, suggesting for the first time that five-nucleon removal behaves predominately like statistical fragmentation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Robust ab initio predictions for dimensionless ratios of 𝐸⁢2 and radius observables. I. Electric quadrupole moments and deformation

We report that converged results for 𝐸⁢2 observables are notoriously challenging to obtain in ab initio no-core configuration interaction approaches. Matrix elements of the 𝐸⁢2 operator are sensitive to the large-distance tails of the nuclear wave function, which converge slowly in an oscillator basis expansion. Similar convergence challenges beset ab initio prediction of the nuclear charge radius. However, we exploit systematic correlations between the calculated 𝐸⁢2 and radius observables to yield meaningful predictions for relations among these observables. In particular, we examine ab initio predictions for dimensionless ratios of the form 𝑄/𝑟 2 for nuclei throughout the 𝑝 shell. Meaningful predictions for electric quadrupole moments may then be made by calibrating to the ground-state charge radius, if experimentally known, or vice versa. Moreover, these dimensionless ratios provide ab initio insight into the nuclear quadrupole deformation.

ab initio calculations↗
DOE OSTI2026

𝑙-forbidden 𝑀⁢1 strengths near 100 Sn from knockout reactions in Cd and Sn

Neutron knockout reactions on beams of 104,102 Cd and 104 Sn are presented. States in the residual 103,101 Cd and 103 Sn nuclei are populated, including low-lying 7/2 + states of 𝜈⁢𝑔 7/2 character. These states have half-lives ≈ 400 ps due to their low energy and hindered 𝐵⁡(𝑀⁢1;7/2 + →5/2 + ) strengths. The excited-state half-lives were measured using their Doppler-shifted line shapes, and the resulting 𝐵⁡(𝑀⁢1) strengths are compared to valence space in medium similarity renormalization group (VS-IMSRG) calculations. Lastly, the VS-IMSRG calculations underpredict the 𝑙-forbidden 𝑀⁢1 strengths in the 100 Sn region, as well as in other regions of the nuclear chart near 40 Ca and 208 Pb.

90 ≤ A ≤ 149↗
DOE OSTI2025

Robust ab initio predictions for dimensionless ratios of 𝐸⁢2 and radius observables. II. Estimation of 𝐸⁢2 transition strengths by calibration to the charge radius

Converged results for 𝐸⁢2 observables are notoriously challenging to obtain in ab initio no-core configuration interaction approaches. Matrix elements of the 𝐸⁢2 operator are sensitive to the large-distance tails of the nuclear wave function, which converge slowly in an oscillator basis expansion. Similar convergence challenges beset ab initio prediction of the nuclear charge radius. However, we exploit systematic correlations between the calculated 𝐸⁢2 and radius observables to yield meaningful predictions for relations among these observables. In particular, we examine ab initio predictions for dimensionless ratios of the form 𝐵⁡(𝐸⁢2)/(𝑒 2 ⁢𝑟 4 ) for nuclei throughout the 𝑝 shell. Finally, meaningful predictions for 𝐸⁢2 transition strengths may then be made by calibrating to the ground-state charge radius if experimentally known.

ab initio calculations↗
DOE OSTI2020

Microscopic calculations of nuclear level densities with the Lanczos method

A new method for computing the density of states in nuclei making use of an extrapolated form of the tridiagonal matrix obtained from the Lanczos method is presented. It will be shown that the global, average properties of the entire Lanczos matrix can be predicted from just four Lanczos iterations. The extrapolated Lanczos matrix (ELM) approach provides for an accurate computation of the density of states described within the configuration space, which, in some cases, is sufficient to accurately calculate the density of states at, or near, the neutron separation energy. Comparisons between theory and experiment are shown for $^{57}Fe$, $^{74}Ge$, and $^6Ge$. In addition, we show results for the J -dependence of moments and the level density for these three nuclei.

Shell model↗
DOE OSTI2020

Low-lying level structure of the neutron-unbound $\textit{N}$ = 7 isotones

This article reports on results of an experimental search for ground state shell inversion in the neutron-unbound $\textit{N}$ = 7 isotones 9 He and 10 Li. Two different radioactive ion beams ( 11 Be, E lab = 44 MeV/u and 12 B, E lab = 45 MeV/u) impinging on a beryllium target were used to directly and selectively populate unbound states of a given ℓ in the nuclides of interest. Be( 11 Be, 8 He + $\textit{n}$) and Be( 12 B, 8 He + $\textit{n}$) reactions populated unbound states in 9 He. Fragments and neutrons were detected in coincidence to reconstruct the decay energy of 9 He using invariant mass spectroscopy. Similarly, Be( 11 Be, 9 Li + $\textit{n}$) and Be( 12 B, 9 Li + $\textit{n}$) reactions were used to populate unbound states in 10 Li, and the time-of-flight method was used to determine the relative velocity of the 9 Li fragments and neutrons in coincidence. Various states in both 9 He and 10 Li were observed and characterized. Here, the data indicate possible ground state shell inversion in both cases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Metastable states from multinucleon excitations in 202 Tl and 203 Pb

The excited level structures of 202 Tl and 203 Pb, above the 7 + and 29/2 – isomers, respectively, have been studied. An isomer with I π = 20 + and T 1/2 = 215(10) μs has been established in 202 Tl, and the level scheme extended from I = 10 to 20ℏ with the placement of fifteen new transitions. In 203 Pb, the I π = 37/2 + state is established to be metastable, with T 1/2 = 2.5(3) ns. Levels in both nuclei arise from intrinsic excitations, with likely particle-hole character for the higher-lying states in 203 Pb. The 20 + isomer in 202 Tl is most likely associated with a $πh$ $^{–1}_{11/2}$ Ⓧ ν($i$ $^{–2}_{13/2}$, $f$ $^{–1}_{5/2}$) configuration, while the 37/2 + state in 203 Pb results from the excitation of five neutrons. Furthermore, calculations, using both an empirical approach and the oxbash code, have been performed to aid in the description of the excited level structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Examination of the inversion of isobaric analogue states in mirror nuclei

A recent study by Hoff and collaborators [Nature (London) 580, 52 (2020)] presented evidence that the ground-state spin of [Math Processing Error] is different from that of its mirror, [Math Processing Error], likely due to an inversion of the ground- and first-excited states. Here, we assess the likelihood of such an inversion arising from normal isospin-symmetry breaking and, more broadly, whether such phenomena challenge our understanding of charge-symmetry-breaking forces in atomic nuclei. By placing the result within the context of previous experimental and theoretical work we demonstrate that this inversion lies entirely within the bounds of normal isospin-symmetry-breaking behavior. We further note that, in the context of isospin, neither level inversions nor the nuclear ground state hold any special significance.

59 ≤ A ≤ 89↗