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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Ab initio computations of strongly deformed nuclei near Zr 80

Nuclei around N ≈ Z ≈ 40 are strongly deformed and exhibit coexistence of shapes. These phenomena have challenged nuclear models. Here, we perform ab initio coupled-cluster computations of low-lying collective states and electromagnetic quadrupole transitions of the even-even nuclei 72 Kr, 76,78 Sr, 78,80 Zr, and 84 Mo starting from chiral nucleon-nucleon and three-nucleon forces. Our calculations reproduce the coexistence of oblate and prolate shapes in these nuclei, yield rotational bands and strong electromagnetic transitions, but are not accurate for some observables and nuclei. Finally, these results highlight the advances and challenges of ab initio computations of heavy deformed nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Structure of odd-mass Ne, Na, and Mg nuclei

The island of inversion is a region of neutron-rich nuclei around 31 Na that are deformed in their ground states. In this region, less is known about the energy levels of odd-mass nuclei, how they evolve with increasing neutron numbers, and how they can be organized into rotational bands. We perform ab initio coupled-cluster calculations of spectra in odd-mass Ne, Na, and Mg nuclei based on an interaction of chiral effective field theory. In conclusion, our results confirm some tentative spin and parity assignments, predict the structure of nuclei near the neutron dripline, and inform us about rotational bands in this region of the nuclear table.

20 ≤ A ≤ 38↗
DOE OSTI2023

First Evidence of Axial Shape Asymmetry and Configuration Coexistence in Zn 74 : Suggestion for a Northern Extension of the N = 40 Island of Inversion

The excited states of N=44 74 Zn were investigated via γ-ray spectroscopy following 74 Cu β decay. By exploiting γ-γ angular correlation analysis, the 2$_2^+$, 3$_1^+$, 0$_2^+$, and 2$_3^+$ states in 74 Zn were firmly established. The γ-ray branching and E2/M1 mixing ratios for transitions deexciting the 2$_2^+$, 3$_1^+$, and 2$_3^+$ states were measured, allowing for the extraction of relative B(E2) values. In particular, the 2$_3^+$→0$_2^+$ and 2$_3^+$→4$_1^+$ transitions were observed for the first time. Here the results show excellent agreement with new microscopic large-scale shell-model calculations, and are discussed in terms of underlying shapes, as well as the role of neutron excitations across the N=40 gap. Enhanced axial shape asymmetry (triaxiality) is suggested to characterize 74 Zn in its ground state. Furthermore, an excited K=0 band with a significantly larger softness in its shape is identified. A shore of the N=40 "island of inversion" appears to manifest above Z=26, previously thought as its northern limit in the chart of the nuclides.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Measurement of the Isolated Nuclear Two-Photon Decay in Ge 72

The nuclear two-photon or double-gamma (2 γ ) decay is a second-order electromagnetic process whereby a nucleus in an excited state emits two gamma rays simultaneously. To be able to directly measure the 2⁢ γ decay rate in the low-energy regime below the electron-positron pair-creation threshold, we combined the isochronous mode of a storage ring with Schottky resonant cavities. The newly developed technique can be applied to isomers with excitation energies down to ~100 keV and half-lives as short as ~10 ms. The half-life for the 2⁢ γ decay of the first-excited 0 + state in bare 72 Ge ions was determined to be 23.9(6) ms, which strongly deviates from expectations.

59 ≤ A ≤ 89↗
DOE OSTI2025

Ab Initio Study of the Beryllium Isotopes 7 Be to 12 Be

We present a systematic ab initio study of the low-lying states in beryllium isotopes from 7 Be to 12 Be using nuclear lattice effective field theory with the N 3 ⁢LO interaction. Our calculations achieve good agreement with experimental data for energies, radii, and electromagnetic properties. We introduce a novel, model-independent method to quantify nuclear shapes, uncovering a distinct pattern in the interplay between positive and negative parity states across the isotopic chain. By combining Monte Carlo sampling of the many-body density operator with a novel nucleon-grouping algorithm, the prominent two-center cluster structures, the emergence of one-neutron halo, complex nuclear molecular dynamics such as 𝜋 orbital and 𝜎 orbital, emerge naturally.

binding energy & masses↗
DOE OSTI2021

Full Moment Tensor Solutions of U.S. Underground Nuclear Tests for Event Screening and Yield Estimation

Moment tensor (MT) solutions are proving increasingly valuable in explosion monitoring, especially now that they are more routinely calculated for the unconstrained, full (six component) MT. In this study, we have calculated MTs for U.S. underground nuclear tests conducted at the Nevada National Security Site using seismic recordings primarily from the Livermore Nevada Network. We are able to determine them for 130 nuclear explosions from 1970 to 1996 for a range of yields and under a variety of material conditions, which we have supplemented with 10 additional chemical explosions at the test site. The result is an extensive database of MTs that can be used to assess the performance of important monitoring tasks such as event identification and yield determination. We test the explosion event screening on the fundamental lune of the MT eigensphere and find MT screening to be a robust discriminant between earthquakes and explosions. We then explore the estimation of moment-derived yield, in which we find that material properties are the largest contributor to differences in the estimated moment-to-yield ratio. Additionally, further research conducted on this dataset can be used to develop, test, and improve various explosion monitoring methodologies.

58 GEOSCIENCES↗
DOE OSTI2023

Rare isotope-containing diamond colour centres for fundamental symmetry tests

Detecting a non-zero electric dipole moment in a particle would unambiguously signify physics beyond the Standard Model. A potential pathway towards this is the detection of a nuclear Schiff moment, the magnitude of which is enhanced by the presence of nuclear octupole deformation. However, due to the low production rate of isotopes featuring such ‘pear-shaped’ nuclei, capturing, detecting and manipulating them efficiently is a crucial prerequisite. Incorporating them into synthetic diamond optical crystals can produce defects with defined, molecule-like structures and isolated electronic states within the diamond band gap, increasing capture efficiency, enabling repeated probing of even a single atom and producing narrow optical linewidths. In this study, we used density functional theory to investigate the formation, structure and electronic properties of crystal defects in diamond containing 229 ⁢Pa, a rare isotope that is predicted to have an exceptionally strong nuclear octupole deformation. In addition, we identified and studied stable lanthanide-containing defects with similar electronic structures as non-radioactive proxies to aid in experimental methods. Our findings hold promise for the existence of such defects and can contribute to the development of a quantum information processing-inspired toolbox of techniques for studying rare isotopes.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Indirect Measurement of the 23 Na(p, γ) 24 Mg Direct Capture Reaction Rate via ( 3 He,d) Spectroscopy

The cross section of the $^{23}\text{Na}(p,γ)^{24}\text{Mg}$ reaction is dominated by direct capture at low energies relevant for stellar burning. Such cross sections can be constrained using spectroscopic factors($C^2S$) or asymptotic normalization coefficients(ANCs) from transfer reactions. In this work, the $^{23}\text{Na}(^3\text{He},d)^{24}\text{Mg}$ reaction was measured at $E_{lab}=21$ MeV to extract spectroscopic factors for $^{24}\text{Mg}$ states with excitation energies in $E_x=7 - 12$ MeV using the Enge split-pole spectrograph at the Triangle Universities Nuclear Laboratory. A new non-resonant astrophysical S factor and the direct capture reaction rate for the $^{23}\text{Na}(p,γ)$ reaction are calculated and presented based on this measurement. The new rate at $T<0.04$ GK is 43$\%$ smaller than in previous studies. Rigorous treatments of uncertainties are presented using a Bayesian Markov Chain Monte Carlo (MCMC) method. Finally, sources of uncertainties for computing the direct capture cross section are also discussed in detail.

electromagnetic moments↗
DOE OSTI2024

Electromagnetic properties of indium isotopes illuminate the doubly magic character of 100 Sn

Understanding the nuclear properties in the vicinity of 100 Sn, which has been suggested to be the heaviest doubly magic nucleus with proton number Z equal to neutron number N, has been a long-standing challenge for experimental and theoretical nuclear physics. In particular, contradictory experimental evidence exists regarding the role of nuclear collectivity in this region of the nuclear chart. Here, we provide further evidence for the doubly magic character of 100 Sn by measuring the ground-state electromagnetic moments and nuclear charge radii of indium (Z = 49) isotopes as N approaches 50 from above using precision laser spectroscopy. Our results span almost the complete range between the two major closed neutron shells at N = 50 and N = 82 and reveal parabolic trends as a function of the neutron number, with a clear reduction towards these two closed neutron shells. Furthermore, a detailed comparison between our experimental results and numerical results from two complementary nuclear many-body frameworks (density functional theory and ab initio methods) exposes deficiencies in nuclear models and establishes a benchmark for future theoretical developments.

100Sn↗
DOE OSTI2024

Nuclear Quadrupole Resonance for Substance Detection

This review paper provides a comprehensive overview of recent advances in nuclear quadrupole resonance (NQR) spectroscopy for substance detection, highlighting its principles, methodologies, and applications. The paper elucidates the fundamental physics underlying NQR spectroscopy, emphasizing the interaction between nuclear quadrupole moments and electric field gradients. It explores the various experimental techniques and instrumentation developments that have enabled the sensitive detection and precise characterization of substances containing quadrupolar nuclei. A significant portion of the survey is dedicated to discussing the diverse applications of NQR spectroscopy, including the detection of explosives, drug pharmaceuticals, and material authentication. Furthermore, the survey examines the challenges and limitations associated with NQR spectroscopy, including issues related to signal-to-noise ratio (SNR), temperature dependency, and substance restrictions. Strategies to overcome these challenges are discussed, offering insights into the future directions of NQR spectroscopy research that includes artificial intelligence (AI), internet of things (IoT) integration, incorporating a cloud database for NQR parameter storage, and multi-modal analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Hyperfine and quadrupole interactions for Dy isotopes in DyPc 2 molecules

Nuclear spin levels play a vital role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei in anionic DyPc 2 (Pc=phthalocyanine) single-molecule magnets, using multiconfigurational ab initio methods (beyond density-functional theory) including spin–orbit interaction. The two isotopes of Dy are chosen because the others have zero nuclear spin. Both isotopes have the nuclear spin I =5/2, although the magnitude and sign of the nuclear magnetic moment differ from each other. The large energy gap between the electronic ground and first-excited Kramers doublets, allows us to map the microscopic hyperfine and quadrupole interaction Hamiltonian onto an effective Hamiltonian with an electronic pseudo-spin that corresponds to the ground Kramers doublet. Our ab initio calculations illustrate that the coupling between the nuclear spin and electronic orbital angular momentum contributes the most to the hyperfine interaction and that both the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei are much smaller than those for the 159 Tb nucleus in TbPc 2 single-molecule magnets. The calculated separations of the electronic-nuclear levels are comparable to experimental data reported for 163 DyPc 2 . We demonstrate that hyperfine interaction for the Dy Kramers ion leads to tunnel splitting (or quantum tunneling of magnetization) at zero field. This effect does not occur for TbPc 2 single-molecule magnets. The magnetic field values of the avoided level crossings for 161 DyPc 2 and 163 DyPc 2 are found to be noticeably different, which can be observed from the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

Investigation of the Possibility of Using Nuclear Magnetic Spin Alignment

The goal of the program to investigate a "Gasdynamic fusion propulsion system for space exploration" is to develop a fusion propulsion system for a manned mission to the planet mars. A study using Deuterium and Tritium atoms are currently in progress. When these atoms under-go fusion, the resulting neutrons and alpha particles are emitted in random directions (isotropically). The probable direction of emission is equal for all directions, thus resulting in wasted energy, massive shielding and cooling requirements, and serious problems with the physics of achieving fusion. If the nuclear magnetic spin moments of the deuterium and tritium nuclei could be precisely aligned at the moment of fusion, the stream of emitted neutrons could be directed out the rear of the spacecraft for thrust and the alpha particles directed forward into an electromagnet ot produce electricity to continue operating the fusion engine. The following supporting topics are discussed: nuclear magnetic moments and spin precession in magnetic field, nuclear spin quantum mechanics, kinematics of nuclear reactions, and angular distribution of particles.

Dent, William V., Jr.↗
DOE OSTI2024

Spin Decoherence in VOPc@graphene Nanoribbon Complexes

Carbon nanoribbons or nanographene qubit arrays can facilitate quantum-to-quantum transduction between light, charge, and spin, making them an excellent testbed for fundamental science in quantum coherent systems and for the construction of higher-level qubit circuits. Here, in this work, we study spin decoherence due to coupling with a surrounding nuclear spin bath of an electronic molecular spin of a vanadyl phthalocyanine (VOPc) molecule integrated onto an armchair-edged graphene nanoribbon (GNR). Density functional theory (DFT) is used to obtain ground-state atomic configurations. Decay of spin coherence in Hahn echo experiments is then simulated using the cluster correlation expansion method with a spin Hamiltonian involving hyperfine and electric field gradient tensors calculated from DFT. We find that the decoherence time T 2 is anisotropic with respect to magnetic field orientation and determined only by the hydrogen nuclear spins on both VOPc and GNR. Large electron spin echo envelope modulation (ESEEM) due to nitrogen and vanadium nuclear spins is present at specific field ranges and can be completely suppressed by tuning the magnetic field. The relation between these field ranges and the hyperfine interactions is analyzed. The effects of interactions with the nuclear quadrupole moments are also studied, validating the applicability and limitations of the spin Hamiltonian when they are disregarded.

Hamiltonians↗
DOE OSTI2025

Imprints of High-Density Nuclear Symmetry Energy on Crustal Fraction of Neutron Star Moment of Inertia

The density dependence of nuclear symmetry energy E sym (ρ) remains the most uncertain aspect of the equation of state (EOS) of supradense neutron-rich nucleonic matter. Utilizing an isospin-dependent parameterization of the nuclear EOS, we investigate the implications of the observational crustal fraction of the neutron star (NS) moment of inertia ΔI/I for the E sym (ρ). We find that symmetry energy parameters significantly influence the ΔI/I, while the EOS of symmetric nuclear matter has a negligible effect. In particular, an increase in the slope L and skewness J sym of symmetry energy results in a larger ΔI/I, whereas an increase in the curvature K sym leads to a reduction in ΔI/I. Moreover, the ΔI/I is shown to have the potential for setting a lower limit of symmetry energy at densities exceeding 3 ρ 0 , particularly when L is constrained to values less than 60 MeV, thereby enhancing our understanding of supradense NS matter.

equation of state↗
DOE OSTI2020

Relativistic configuration-interaction and many-body-perturbation-theory calculations of U i hyperfine constants

Neutral uranium (U i) is a very difficult atom for theoretical calculations due to a large number (six) of valence electrons, strong valence-valence and valence-core correlations, high density of states, and relativistic effects. Configuration-interaction many-body perturbation theory (CI-MBPT) can efficiently treat valence-core correlations and relativistic effects, but because the formalism was developed for a Dirac-Hartree-Fock (DHF) starting potential that does not contain valence electrons, quite large CI space is needed to compensate for the + 6 charge of such a potential. Much more efficient is the relativistic configuration-interaction (RCI) approach, which uses a relatively accurate starting DHF potential that includes some valence electrons to make the valence-electron Hamiltonian diagonally dominated for some states. Here we report calculations of U i hyperfine constants of several low-energy states using the RCI method with the starting potential that includes four f valence electrons. With this starting potential, it is possible to use the single-configuration approximation or small basis sets to obtain quite accurate results for hyperfine-structure constants. In fact, by scaling the nuclear magnetic moment, the agreement for five levels was within 5% and a new magnetic moment can be recommended, 0.43(2). When two states are mixed, it is difficult to predict the exact mixing fractions, so in this case we proposed a method in which the mixing fraction is found by optimization of one parameter in the MBPT correction to obtain correct g factors. The resulting hyperfine constants are significantly improved. Finally, the CI-MBPT approach was also tested, with some success for low-energy states, with the limited basis set. The methods investigated here can be further developed to include more extensive data sets to improve accuracy and can be applied to other atoms and for calculations of other properties, for example, relevant to fundamental symmetry tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Systematic and statistical uncertainties of the hilbert-transform based high-precision FID frequency extraction method

Pulsed nuclear magnetic resonance (NMR) is widely used in high-precision magnetic field measurements. The absolute value of the magnetic field is determined from the precession frequency of nuclear magnetic moments. The Hilbert transform is widely used to extract the phase function from the observed free induction decay (FID) signal and then its frequency. In this paper, a detailed implementation of a Hilbert-transform based FID frequency extraction method is described. How artifacts and noise level in the FID signal affect the extracted phase function are derived analytically. A method of mitigating the artifacts in the extracted phase function of an FID is discussed. Correlations between noises of the phase function samples are studied for different noise spectra. We discovered that the error covariance matrix for the extracted phase function is nearly singular and improper for constructing the $\chi^2$ used in the fitting routine. A down-sampling method for fixing the singular covariance matrix has been developed, so that the minimum $\chi^2$-fit yields properly the statistical uncertainty of the extracted frequency. Other practical methods of obtaining the statistical uncertainty are also discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗