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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

β -decay properties of the very neutron-rich isotopes Ge 86 and As 86

For this research, the β -decay properties of very neutron rich nuclei 86 Ge and 86 As were measured at the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory. Spectroscopic information on new excited states in 86 As and in 86 Se was obtained and is interpreted within an advanced shell model approach. These calculations, previously explaining well the structure of 84 Ge and 85 Ge, are not able to reproduce all the experimentally determined features of the measured level schemes of 86 As and 86 Se. The Gamow-Teller decay of 86 Ge and 86 As is also investigated in a shell-model framework. The fission yield for 86 Ge is discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Representations and strategies for transferable machine learning improve model performance in chemical discovery

Strategies for machine-learning (ML)-accelerated discovery that are general across material composition spaces are essential, but demonstrations of ML have been primarily limited to narrow composition variations. By addressing the scarcity of data in promising regions of chemical space for challenging targets such as open-shell transition-metal complexes, general representations and transferable ML models that leverage known relationships in existing data will accelerate discovery. Over a large set (~1000) of isovalent transition-metal complexes, we quantify evident relationships for different properties (i.e., spin-splitting and ligand dissociation) between rows of the Periodic Table (i.e., 3d/4d metals and 2p/3p ligands). We demonstrate an extension to the graph-based revised autocorrelation (RAC) representation (i.e., eRAC) that incorporates the group number alongside the nuclear charge heuristic that otherwise overestimates dissimilarity of isovalent complexes. To address the common challenge of discovery in a new space where data are limited, we introduce a transfer learning approach in which we seed models trained on a large amount of data from one row of the Periodic Table with a small number of data points from the additional row. We demonstrate the synergistic value of the eRACs alongside this transfer learning strategy to consistently improve model performance. Analysis of these models highlights how the approach succeeds by reordering the distances between complexes to be more consistent with the Periodic Table, a property we expect to be broadly useful for other material domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Triaxiality in the mid-shell nucleus 112 Pd

In this work, lifetimes of low-spin excited states in 112 Pd were measured using the recoil-distance Doppler-shift technique. The nucleus of interest was populated in a 110 Pd( 18 O, 16 O) 112 Pd reaction using the Cologne FN Tandem accelerator. Three lifetimes of ground-state band members and one lifetime of the γ band were measured. From these lifetimes reduced transition probabilities were extracted and compared to interacting boson model, γ-soft calculations, and Davydov calculations. The lifetime of the $2_{γ}^{+}$ gives some insights on the nuclear shape and structure of the γ band. The deduced transition rates show an indicator for a rigid triaxial nucleus as well as more indicators for a γ-soft nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

On the Theory of Type 1 X-Ray Bursts: The Energetics of Bursts and the Nuclear Fuel Reservoir in the Envelope

The observed properties of type 1 X-ray bursts from 4U/MXB 1636-53 and those of models of thermonuclear flashes on accreting neutron stars are compared. Ways to explain variations in the burst recurrence properties without an apparent correlation with the accretion rate, including the rapid succession of bursts at intervals 10 min are discussed. The strongest X-ray bursts, which occur after a very long interval, are well described by thermonuclear flash models with simple accumulation of accreted fuel, and a spherically symmetric structure in the burning shell. The majority of observed bursts, however, occur after much shorter intervals, and radiate much smaller amounts of energy, by a factor of up to 10 times that predicted by the spherical models. An ignition mechanism of the bursts is proposed in terms of elemental mixing and dissipative heating associated with hydrodynamical instabilities in the neutron star envelope caused by angular momentum carried inward by accreted gas.

Fujimoto, Masayuki Y.↗
DOE OSTI2016

Synthesis of the S-only {sup 122,123,124}TE isotopes and the selective depletion of {sup 123}Te by electron capture process in massive stars

We investigate the production ratios of the naturally occurring s-only nuclides {sup 122−124}Te by solving a nuclear network in the mass number 120⩽A⩽124 region under some conditions representing those in the helium–hydrogen inter-shell in low-mass AGB stars as well as those in the helium burning and the carbon burning phases in massive stars. We show that the electron-capture process on {sup 123}Te (the natural half-life >10{sup 16} years) could proceed decisively fast during the late evolutionary phases of massive stars. We thus re-iterate and re-enforce the decades-old notion that detailed analysis of the relative {sup 122−124}Te abundances in due consideration of the selective {sup 123}Te depletion in massive stars would set a stringent constraint on the s-process modelings. We stress that the relative abundance ratios of {sup 122−124}Te in the solar system become quite difficult to decipher if the s-process in massive stars contributes significantly to the synthesis of nuclides in this intermediate A region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Prospects for Surrogate Neutron Capture Measurements with Radioactive Ion Beams and GODDESS

Neutron capture reactions are responsible for the synthesis of almost all of the elements heavier than iron through the slow s-process, that proceeds close to the line of stability, and the rapid r-process, with very neutron-rich waiting points. Uncertainties in (n,γ) rates in neutron rich nuclei, especially near closed neu- tron shells, can have significant impact [1] on the predictions of final abundances for different astrophysical scenarios for the r process. Understanding (n,γ) rates on neutron-rich fission fragments is also important for nuclear forensics and stockpile stewardship science. Ratkiewicz et al. [2 and references therein] has recently demonstrated that the (d,pγ) reaction is a valid surrogate for (n,γ), where the formation of the compound nucleus from the breakup of the deuteron has been calculated in a reaction model and the subsequent measured gamma-decay probabilities are reproduced with standard level density and strength functions in a Bayesian approach. In parallel to the surrogate validation efforts, we have demonstrated that the (d,pγ) reaction can be measured in inverse kinematics with Gammasphere ORRUBA: Dual Detectors for Experimental Structure Studies (GODDESS) [3] where the Gammasphere array of Compton-suppressed HPGe detectors is coupled to the Oak Ridge Rutgers University Barrel Array of position-sensitive silicon strip detectors. During the commissioning campaign we measured the (d,pγ) reaction with 134 Xe and 95 Mo beams, the latter to demonstrate the surrogate method in inverse kinematics. The present talk will present preliminary results from this campaign including γ-decay probabilities and prospects for surrogate (n,γ) measurements with 143 Ba fission-fragment beams.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Quantifying uncertainties in α -nucleus reaction dynamics informed from first principles

The ab initio symmetry-adapted no-core shell model is a microscopic many-body method which naturally describes challenging collective and clustering features of atomic nuclei. Wave functions and observables computed with realistic nucleon-nucleon forces in this framework are tied to first principles, and are hence well-suited for rigorous uncertainty quantification. We discuss α-deuteron and α- 12 C cluster potentials informed by symmetry-adapted calculations, and propagate uncertainties in the effective binary cluster method as well as those in the nuclear interaction to reaction observables, namely scattering phase shifts, cross sections, partial widths and resonance energies. Here, we find that the overall uncertainties are dominated by those originating in the underlying nuclear force, speaking to the need for tighter constraints on realistic nucleon-nucleon interactions.

Ab initio↗
DOE OSTI2021

Neutron-unbound states in 31 Ne

Background: The Island of Inversion near the N = 20 shell gap is home to nuclei with reordered single-particle energy levels compared to the spherical shell model. Studies of 31 Ne have revealed that its ground state has a halo component, characterized by a valence neutron orbiting a deformed 30 Ne core. This lightly-bound nucleus with a separation energy of only S n = 170 keV is expected to have excited states that are neutron unbound. Purpose: The purpose of this experiment was to investigate the low-lying excited states in 31 Ne that decay by the emission of a single neutron. Methods: An 89 MeV/u 33 Mg beam impinged on a segmented Be reaction target. Neutron unbound states in 31 Ne were populated via a two-proton knockout reaction. The 30 Ne fragment and associated neutron from the decay of 31 Ne were detected by the MoNA-LISA-Sweeper experimental setup at the National Superconducting Cyclotron Laboratory. Invariant mass spectroscopy was used to reconstruct the two-body decay energy ( 30 Ne + n). Results: The two-body decay energy spectrum exhibits two features: a low-lying peak at 0.30 ± 0.17 MeV and a broad enhancement at 1.50 ± 0.33 MeV, each fit with an energy-dependent asymmetric Breit-Wigner line shape representing a resonance in the continuum. Accompanying shell model calculations using the FSU interaction within NuShellX, combined with cross-section cal culations using the eikonal reaction theory, indicate that these peaks in the decay energy spectrum are caused by multiple resonant states in 31 Ne. Conclusions: In this study, excited states in 31 Ne were observed for the first time. Transitions from calculated shell model final states in 31 Ne to bound states in 30 Ne are in good agreement with the measured decay energy spectrum. Cross-section calculations for the two-proton knockout populating 31 Ne states as well as spectroscopic factors pertaining to the decay of 31 Ne into 30 Ne are used to examine the results within the context of the shell model expectations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Single-particle and collective excitations in Zn 66

Single-particle and collective excitations in 66 Zn have been investigated via the multinucleon transfer reaction, 26 Mg( 48 Ca, α4nγ) using the Gammasphere multidetector array and the Fragment Mass Analyzer. In addition to confirming and complementing the previously known low-spin structure, a new quasi-rotational band comprising several stretched E2 transitions has been established to high spins. However, due to fragmentary nature of its decay, it was not possible to link this sequence to the low-lying states and, thus, determine the absolute excitation energies, spins, and parities unambiguously. Large-scale shell-model calculations employing the JUN45 and jj44b effective interactions are able to successfully describe the low-spin structure and herewith confirm that it is dominated by single-particle excitations. Furthermore, the newly established rotational cascade is compared with known superdeformed bands in the A ≈ 60–70 mass region, and with results of calculations performed within the frameworks of the cranked shell model and the adiabatic and configuration-fixed constrained covariant density functional theory and the quantum particle-rotor model.

59 ≤ A ≤ 89↗
DOE OSTI2015

Continuum and three-nucleon force effects on Be 9 energy levels

In this paper, we extend the recently proposed ab initio no-core shell model with continuum to include three-nucleon (3N) interactions beyond the few-body domain. The extended approach allows for the assessment of effects of continuum degrees of freedom as well as of the 3N force in ab initio calculations of structure and reaction observables of p- and lower-sd-shell nuclei. As a first application we concentrate on energy levels of the 9 Be system for which all excited states lie above the n- 8 Be threshold. For all energy levels, the inclusion of the continuum significantly improves the agreement with experiment, which was an issue in standard no-core shell model calculations. Furthermore, we find the proper treatment of the continuum indispensable for reliable statements about the quality of the adopted 3N interaction from chiral effective field theory. Finally, in particular, we find the 1/2 + resonance energy, which is of astrophysical interest, in good agreement with experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Impact of alternative transmission coeffcient parameterizations on Hauser-Feshbach theory

Here, we investigate different formulations of the transmission coefficient T c , including the form implied by Moldauer’s “sum rule for resonance reactions” and the Moldauer-Simonius form. Within these different formulations, we compute the neutron transmission coefficients in the resolved and unresolved resonance regions, allowing a direct comparison with the transmission coefficients computed using an optical model potential. For nuclei for which there are no measured resonances, these approaches allow one to predict the average neutron resonance parameters directly from the optical model and level densities. Some of the approaches are valid in both the strong and weak coupling limits (i.e., any value of the average width and mean level spacing). Finally, both the Moldauer-Simonius and Moldauer’s Sum Rule forms approaches suggest that superradiance, that is, the quantum chaotic enhancement of certain channels, may be a common phenomena in nuclear collisions. Our results suggest why superradiance has been previously overlooked. We apply our approach to neutron reactions on the closed shell 90 Zr nucleus and the mid-shell 197 Au nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Nucleon- α scattering and resonances in 5 He and 5 Li with JISP16 and Daejeon16 NN interactions

The approach called the single-state harmonic oscillator representation of scattering equations (SS-HORSE) to analyze resonant states is generalized to the case of charged particle scattering by using the analytical properties of partial scattering amplitudes and is applied to the study of resonant states in the 5 Li nucleus and nonresonant s-wave proton-α scattering within the no-core shell model using the JISP16 and Daejeon16 NN interactions.We present also the results of calculations of neutron-α scattering and resonances in the 5 He nucleus with Daejeon16 and compare with results published previously using JISP16.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Three-dimensional Core-collapse Supernova Simulations with 160 Isotopic Species Evolved to Shock Breakout

We present three-dimensional simulations of core-collapse supernovae using the FLASH code that follow the progression of the explosion to the stellar surface, starting from neutrino radiation hydrodynamic simulations of the neutrino-driven phase performed with the Chimera code. We consider a 9.6 M ⊙ zero-metallicity progenitor starting from both 2D and 3D Chimera models and a 10 M ⊙ solar-metallicity progenitor starting from a 2D Chimera model, all simulated until shock breakout in 3D while tracking 160 nuclear species. The relative velocity difference between the supernova shock and the metal-rich Rayleigh–Taylor (R-T) "bullets" determines how the metal-rich ejecta evolves as it propagates through the density profile of the progenitor and dictates the final morphology of the explosion. We find maximum 56 Ni velocities of ~1950 and ~1750 km s -1 at shock breakout from 2D and 3D 9.6 M ⊙ Chimera models, respectively, due to the bullets' ability to penetrate the He/H shell. When mapping from 2D, we find that the development of higher-velocity structures is suppressed when the 2D Chimera model and 3D FLASH model meshes are aligned. The development of faster-growing spherical-bubble structures, as opposed to the slower-growing toroidal structure imposed by axisymmetry, allows for interaction of the bullets with the shock and seeds further R-T instabilities at the He/H interface. We see similar effects in the 10 M ⊙ model, which achieves maximum 56 Ni velocities of ~2500 km s -1 at shock breakout.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A Millennium-long Evolution of the 1 yr Recurrence Period Nova—Search for Any Indication of the Forthcoming He Flash

We present 1500 cycles of hydrogen shell flashes on a 1.38 M{sub ⊙} white dwarf (WD) for a mass accretion rate of 1.6×10{sup −7} M{sub ⊙} yr{sup −1}, the mass ejection of which is calculated consistently with the optically thick winds. This model mimics the 1 yr recurrence period nova M31N 2008-12a. Through these hydrogen flashes a helium ash layer grows in mass and eventually triggers a helium nova outburst. Each hydrogen flash is almost identical, and there is no precursor for the forthcoming He flash either in the outburst or in the quiescent until the next He flash suddenly occurs. Thus, M31N 2008-12a is a promising candidate of He novae, outbursting in any time within a millennium. The prompt X-ray flash of He nova lasts as short as 15 minutes, with the X-ray luminosity being about half of the Eddington luminosity, making the observation difficult. In the very early phase of a He flash, the uppermost H-rich layer is convectively mixed into the deep interior and most of the hydrogen is consumed by nuclear burning. In comparison with hydrogen shell flashes of M31N 2008-12a, we expect the forthcoming He nova to have a very short prompt X-ray flash (15 minutes), a very bright optical/near-IR peak (∼3.5 mag brighter than M31N 2008-12a), a much longer nova duration (>2 yr), and a longer supersoft X-ray source phase (40–50 days or more).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Exploring the onset of collectivity approaching 𝑁=40 with masses of manganese isotopes

Isotopes in the region of the nuclear chart below 68 Ni have been the subject of intense experimental and theoretical effort due to the potential onset of a new “island of inversion” when crossing the harmonic oscillator subshell closure at 𝑁=40. Here, we have measured the masses of 64−68 Mn using TITAN's multiple-reflection time-of-flight mass spectrometer, resulting in the first precision mass measurements of 67 Mn and 68 Mn. These results are compared to ab initio calculations and modern shell model calculations and show an increase in collectivity approaching 𝑁=40.

binding energy & masses↗
DOE OSTI2019

Dirac–Fock photoionization parameters for HAXPES applications, Part II: Inner atomic shells

Highlights: • Photoionization parameters are given for inner atomic shells with binding energies ≳ 1.5 keV. • The data are extension of our calculations for use in the HAXPES spectroscopy studies. • Relativistic calculations were performed by the Dirac–Fock method. • Photoionization cross sections were calculated including all multipoles. • The angular distribution parameters were obtained in the quadrupole approximation. - Abstract: Presented here are the photoionization cross sections and parameters of the photoelectron angular distribution for inner atomic subshells with binding energies beyond 1.5 keV in the photon energy range from 2 keV to 12 keV. The calculations are an extension of our previous paper containing the photoionization parameters for comparatively outer shells with binding energies lower than 1.5 keV (Trzhaskovskaya and Yarzhemsky, 2018). The calculations are intended for use in the experimental HAXPES spectroscopy investigations. The up-to-date HAXPES activity tends to increase the photon energy to investigate the deep core levels resulting in a necessity of theoretical consideration of photoionization parameters for inner atomic shells. Our relativistic calculations have been performed by the Dirac–Fock method. The photoionization cross sections have been found including all multipoles of the radiative field while the photoelectron angular distribution parameters have been obtained in the quadrupole approximation. The effect of the hole resulting in the atomic subshell after photoionization has been taken into account using the frozen orbital model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Reduction of spectroscopic overlap across the Z = 8 shell in neutron-rich nuclei

The recent discovery and spectroscopic measurements of 27 O and 28 O suggests the disappearance of the N = 20 shell structure in these neutron-rich oxygen isotopes. We measured one- and two-proton removal cross sections from 27 F and 29 N, respectively, extracting spectroscopic factors and comparing them to shell model overlap functions coupled with eikonal reaction model calculations. The invariant mass technique was used to reconstruct the two-body ( 24 O + n) and three-body ( 24 O + 2n) decay energies from knockout reactions of 27 F (106.2 MeV/u) and 29 Ne (112.8 MeV/u) beams impinging on a 9 Be target. The one-proton removal from 27 F strongly populated the ground state of 26 O and the extracted cross section of $3.4^{+0.3}_{-1.5}$ mb agrees with eikonal model calculations that are normalized by the shell model spectroscopic factors and account for the systematic reduction factor observed for single nucleon removal reactions within the models used. For the two-proton removal reaction from 29 Ne an upper limit of 0.08 mb was extracted for populating states in 27 O decaying though the ground state of 26 O. The measured upper limit for the population of the ground state of 26 O in the two-proton removal reaction from 29 Ne indicates a significant difference in the underlying nuclear structure of 27 F and 29 Ne.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Actinide N-Donor Thermodynamics: Expanding the f-element Covalency Dialogue. Final report

Resolving the chemistry and physics of f-electrons is one of the grand challenges of science for energy technology. A central component of this challenge is describing covalency in actinide-ligand interactions. Crystallography, x-ray spectroscopy and computational techniques have provided reasonable, and in some cases remarkable, support for covalency in actinide-ligand interactions. Courtesy the quality of the results obtained, a significant portion of the covalency dialogue has been forwarded through solid-state and computational studies of the more stable actinides (Th, U, Pu, Np). However; recent reports have questioned whether covalency in actinide interactions increases or decreases across the series. Examination of less-stable trans-actinides (Am, Cm, Bk, Cf and Es) by the aforementioned approaches can be rapidly limited due to material availability, radiological hazards and experimental data to validate computational models. Furthermore, limited thermodynamic data exists to confirm covalency in actinide solution phase interactions that are highly relevant to the remediation and reprocessing of used nuclear fuel. The best-defined interactions of actinides with soft donors in aqueous solutions involve (poly)aminopolycarboxylate (APC) ligands. The chelate effect and binding affinity with the acetic acid APCs subgroups encourages amine interactions with the actinide metal center. In the absence of these factors, amine interactions with actinides are too weak to overcome the protective hydration shell of the dissolved ion. The ability for APCs to force actinide interactions with soft nitrogen donors (as defined by Pearson’s Hard Soft Acid Base theory) encourages the application of these ligands in a variety of processes for actinide recovery from nearly chemically identical lanthanides. The ability to functionalize the amine center of the ligand in a variety of capacities (adding additional amine groups, exchanging the conventional acetate group for an acetate group, etcetera), allows for the APC ligand to serve as a thermodynamic probe for actinide-nitrogen interactions. Perhaps the single most significant breakthrough during the previous funding cycle was the observation that covalency for the transplutonium part of the actinide series can be increasingly influenced with energy degeneracy driven covalency as the actinides become heavier. This was observed most predominantly with dipicolinic acid, but extensions of f-orbital degeneracy were found to affect aliphatic aminopolycarboxylate-actinide complexes through einsteinium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗