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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 163 records · Page 9
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DOE OSTI2022

Impact of Clustering on the Li 8 β Decay and Recoil Form Factors

We place unprecedented constraints on recoil corrections in the β decay of 8 Li, by identifying a strong correlation between them and the 8 Li ground state quadrupole moment in large-scale ab initio calculations. The results are essential for improving the sensitivity of high-precision experiments that probe the weak interaction theory and test physics beyond the standard model. In addition, our calculations predict a 2 + state of the α + α system that is energetically accessible to β decay but has not been observed in the experimental 8 Be energy spectrum, and has an important effect on the recoil corrections and β decay for the A = 8 systems. Furthermore, this state and an associated 0 + state are notoriously difficult to model due to their cluster structure and collective correlations, but become feasible for calculations in the ab initio symmetry-adapted no-core shell-model framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Natural orbitals for the ab initio no-core configuration interaction approach

Ab initio no-core configuration interaction (NCCI) calculations for the nuclear many-body problem have traditionally relied upon an antisymmetrized product (Slater determinant) basis built from harmonic oscillator orbitals. The accuracy of such calculations is limited by the finite dimensions which are computationally feasible for the truncated many-body space. We therefore seek to improve the accuracy obtained for a given basis size by optimizing the choice of single-particle orbitals. Natural orbitals, which diagonalize the one-body density matrix, provide a basis which maximizes the occupation of low-lying orbitals, thus accelerating convergence in a configuration-interaction basis, while also possibly providing physical insight into the single-particle structure of the many-body wave function. We describe the implementation of natural orbitals in the NCCI framework and examine the nature of the natural orbitals thus obtained, the properties of the resulting many-body wave functions, and the convergence of observables. After taking 3 He as an illustrative testbed, we explore aspects of NCCI calculations with natural orbitals for the ground state of the p-shell neutron halo nucleus 6 He .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Improved nuclear-structure corrections to the hyperfine splitting of electronic and muonic deuterium

We calculate the nuclear-structure correction to the hyperfine splitting in both electronic and muonic deuterium using interactions from chiral effective field theory. We explore the sensitivity to different parameterizations of the nucleon-nucleon force, study the convergence pattern in the order-by-order chiral expansion, and estimate remaining uncertainties. Our results are consistent with earlier calculations from pionless effective field theory, offering new insights for a robust uncertainty quantification. Thanks to the order-of-magnitude reduction in uncertainty achieved with chiral effective field theory, the two-photon exchange contribution in electronic deuterium agrees with experimental extractions within 0.5σ, in contrast to the 2.6σ discrepancy observed in muonic deuterium. This study lays the groundwork for extending TPE calculations to HFS in heavier atomic systems.

Chiral effective field theory↗
DOE OSTI2021

Potential Foldamers Based on an ortho- Terphenyl Amino Acid

We describe the synthesis and characterization of a new class of oligomers built from a terphenyl-based amino acid. Here, these oligomeric amides are of interest because the adoption of specific conformations could potentially be driven by the coordinated formation of inter-residue hydrogen bonds and aromatic interactions. Although high-resolution structural data have proven inaccessible, circular dichroism and nuclear magnetic resonance studies suggest that the new oligomers fold concomitantly with discrete self-association in chloroform. Molecular simulations find no sign of folding as a monomer, and in fact suggest that hydrogen bond patterning is anti-cooperative, inhibiting longer helices.

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

Nucleon-pair coupling scheme in Elliott's SU(3) model

Elliott's SU(3) model is at the basis of the shell-model description of rotational motion in atomic nuclei. Here we demonstrate that SU(3) symmetry can be realized in a truncated shell-model space if constructed in terms of a sufficient number of collective S, D, G,...pairs (i.e., with angular momentum zero, two, four,...) and if the structure of the pairs is optimally determined either by a conjugate-gradient minimization method or from a Hartree-Fock intrinsic state. We illustrate the procedure for six protons and six neutrons in the pf (sdg) shell and exactly reproduce the level energies and electric quadrupole properties of the ground-state rotational band with SDG (SDGI) pairs. The SD-pair approximation without significant renormalization, on the other hand, cannot describe the full SU(3) collectivity. A mapping from Elliott's fermionic SU(3) model to systems with s, d, g,... bosons provides insight into the existence of a decoupled collective subspace in terms of S, D, G,... pairs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Lifetime measurements of excited states in neutron-rich 53 Ti: Benchmarking effective shell-model interactions

Level lifetimes of the yrast (5/2 - ) to 13/2 - states in the neutron-rich nucleus 53 Ti, produced in a multinucleon-transfer reaction, have been measured for the first time. The recoil distance Doppler-shift method was employed and lifetimes of the excited states were extracted by a lineshape analysis aided by GEANT4-based Monte-Carlo simulations. The experiment was performed at the Grand Accelerateur National d'Ions Lourds facility in Caen, France, by using the Advanced Gamma Tracking Array for the gamma-ray detection coupled to the large-acceptance variable mode spectrometer for an event-by-event particle identification and the Cologne plunger for deep-inelastic reactions. Reduced transition probabilities, deduced from the lifetimes, give new information on the nuclear structure of 53 Ti, and are used to benchmark different shell-model calculations using established interactions in the fp shell.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Extracting the number of short-range correlated nucleon pairs from inclusive electron scattering data

The extraction of the relative abundances of short-range correlated (SRC) nucleon pairs from inclusive electron scattering is studied using the generalized contact formalism (GCF) with several nuclear interaction models. GCF calculations can reproduce the observed scaling of the cross-section ratios for nuclei relative to deuterium at high xB and large Q 2 , a 2 =(σ A /A)/(σ d /2). In the nonrelativistic instant-form formulation, the calculation is very sensitive to the model parameters and only reproduces the data using parameters that are inconsistent with ab initio many-body calculations. Using a light-cone GCF formulation significantly decreases this sensitivity and improves the agreement with ab initio calculations. The ratio of similar mass isotopes, such as 40 Ca and 48 Ca, should be sensitive to the nuclear asymmetry dependence of SRCs, but is found to also be sensitive to low-energy nuclear structure. Thus the empirical association of SRC pair abundances with the measured a2 values is only accurate to about 20%. Finally, improving this will require cross-section calculations that reproduce the data while properly accounting for both nuclear structure and relativistic effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Weak-charge radius of 40 Ar: From CREX constraints to CE⁢𝜈⁢NS sensitivity

Despite significant theoretical efforts, the CREX-PREX dilemma remains unresolved, preventing the reliable prediction of neutron (or weak-charge) radii that, besides their intrinsic nuclear-structure interest, often serve to quantify the impact of nuclear uncertainties in searches for new physics. Coherent elastic neutrino-nucleus scattering is a clean and attractive portal to new physics, whose sensitivity may be impacted by such nuclear uncertainties. In this paper I use CREX as the basis, together with a strong calcium-argon correlation, to provide a robust baseline for the weak radius of 40 Ar : 𝑅$^{40}_{wk}$ = 3.452 ± 0.028 (stat) ± 0.022 (syst) fm. Here, the weak radius of argon is an observable, highly relevant to ongoing and future liquid-argon campaigns, that encodes the loss of coherence at small momentum transfers.

39 ≤ A ≤ 58↗
DOE OSTI2021

Urca Cooling in Neutron Star Crusts and Oceans: Effects of Nuclear Excitations

We report the excited-state structure of atomic nuclei can modify nuclear processes in stellar environments. In this Letter, we study the influence of nuclear excitations on Urca cooling (repeated back-and-forth β decay and electron capture in a pair of nuclear isotopes) in the crust and ocean of neutron stars. We provide for the first time an expression for Urca process neutrino luminosity which accounts for a thermal Boltzmann distribution of excited states in both members of an Urca pair. We use our new formula with state-of-the-art nuclear structure inputs to compute neutrino luminosities of candidate Urca cooling pairs. Our nuclear inputs consist of the latest experimental data supplemented with calculations using the projected shell model. We show that, in contrast to previous results that only consider the ground states of both nuclei in the pair, our calculated neutrino luminosities for different Urca pairs vary sensitively with the environment temperature and can be radically different from those obtained in the one-transition approximation. We find that nuclear excitations can lead to an enhancement in total Urca neutrino luminosities in the accreted neutron star crust by about 5 times as compared with the previous Urca results, which is expected to cause significant observational effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Hybrid eigensolvers for nuclear configuration interaction calculations

We examine and compare several iterative methods for solving large-scale eigenvalue problems arising from nuclear structure calculations. In particular, we discuss the possibility of using block Lanczos method, a Chebyshev filtering based subspace iterations and the residual minimization method accelerated by direct inversion of iterative subspace (RMM-DIIS) and describe how these algorithms compare with the standard Lanczos algorithm and the locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm. Although the RMM-DIIS method does not exhibit rapid convergence when the initial approximations to the desired eigenvectors are not sufficiently accurate, it can be effectively combined with either the block Lanczos or the LOBPCG method to yield a hybrid eigensolver that has several desirable properties. We will describe a few practical issues that need to be addressed to make the hybrid solver efficient and robust.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Towards the understanding of the genuine three-body interaction for p–p–p and p–p–Λ

Three-body nuclear forces play an important role in the structure of nuclei and hypernuclei and are also incorporated in models to describe the dynamics of dense baryonic matter, such as in neutron stars. So far, only indirect measurements anchored to the binding energies of nuclei can be used to constrain the three-nucleon force, and if hyperons are considered, the scarce data on hypernuclei impose only weak constraints on the three-body forces. In this work, we present the first direct measurement of the p–p–p and p–p–Λ systems in terms of three-particle correlation functions carried out for pp collisions at $\sqrt{s}$=13 TeV. Three-particle cumulants are extracted from the correlation functions by applying the Kubo formalism, where the three-particle interaction contribution to these correlations can be isolated after subtracting the known two-body interaction terms. A negative cumulant is found for the p–p–p system, hinting to the presence of a residual three-body effect while for p–p–Λ the cumulant is consistent with zero. This measurement demonstrates the accessibility of three-baryon correlations at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

University of Missouri Research Reactor (MURR) LEU Fuel Fluid-Structure Interaction Analysis

The University of Missouri Research Reactor (MURR ® ) is one of five U.S. high performance research reactors (USHPRR), plus one critical facility, that are actively collaborating with the National Nuclear Security Administration (NNSA) Material Management and Minimization (M 3 ) Reactor Conversion Program to convert from highly enriched uranium (HEU, ≥ 20 wt.% U-235) to low-enriched uranium (LEU, < 20 wt.% U-235) fuel. A new type of LEU fuel with very high density, based on an alloy of uranium and 10 weight percent molybdenum (U-10Mo), is expected to allow the conversion to LEU of USHPRR that have been found unable to be converted with previously qualified uranium silicide-aluminum (U 3 Si 2 -Al) dispersion fuel. MURR has been working with the USHPRR Reactor Conversion (RC) Pillar at Argonne National Laboratory to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analyses, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary Safety Analysis Report (SAR) for conversion to LEU fuel. In this work, Fluid-structure interaction (FSI) analysis at the fuel element level, as compared to the fuel plate level of the previous work. is performed which models all components of the MURR LEU fuel element, including fuel plates and the supporting structures e.g., side plates, end fittings, and combs. Therefore, the effect of supporting structures on the coolant flow distribution, the fuel plate deflection, and the resulting coolant channel gap reduction can be evaluated. In addition to the nominal element geometry and flow rate, the tolerances in the geometry dimensions of coolant channel and plate thickness, the effect of a comb on plate deflection, and the uncertainty of the flow rate per element are considered in this work. The effect of comb on plate displacement is quantified through two bounding cases: the case assuming a perfect bond between the comb and plates and the case neglecting the comb effect. Note that in this analysis, the FSI has been decoupled from the other structural effects caused by irradiation (e.g., swelling and irradiation creep). Assessment of combined effects is planned for a later stage of this project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

TEM Approaches for Microstructure-Informed Prediction of Mechanical Properties in Structural Alloys

Predicting the mechanical performance of structural alloys from their evolving microstructure remains a major challenge in materials science, particularly for nuclear structural materials, where irradiation-induced defects span multiple types and length scales and interact through complex mechanisms. The dispersed barrier hardening (DBH) [1] and Friedel–Kroupa–Hirsch (FKH) [2,3] models have been widely used to evaluate the hardening contributions of individual obstacles and to estimate tensile strength from quantified microstructures; however, when multiple size-dependent obstacles coexist and evolve, predicting temperature-dependent tensile strength becomes significantly more complex, and a fully consistent hardening model is still lacking. Transmission electron microscopy (TEM) plays a central role in refining hardening models and enabling predictive assessments of tensile strength evolution by providing quantitative characterization of dislocations, irradiation-induced defects (e.g., dislocation loops and cavities), precipitates, and grain structure (Fig. 1.). These experimentally measured defect densities are incorporated into physically based hardening models with size- and shape- dependent obstacle strengths [4], using root-sum-square superposition for obstacles of comparable strength and linear superposition for dissimilar ones [5]. In addition, recent advances in TEM [6-8], including high-resolution imaging, 4D-STEM strain mapping, EDS/EELS elemental analysis, and flash-polishing-based TEM specimen preparation and extraction-replica methods (Fig. 2), further improve the accuracy of microstructural quantification. By comparison with prior studies as well as our own results, we show that when TEM-derived microstructural information is carefully integrated with physically grounded hardening models, yield strength (or irradiation-induced hardening) measured at room temperature can be predicted with good quantitative agreement across multiple alloy classes. In-situ TEM combined with high-temperature mechanical testing represents an important next step for refining hardening models by directly probing dislocation–obstacle interactions across varying irradiation doses and temperatures [9]. Because the barrier strength factor (α) depends on both temperature and obstacle size, it should not be treated as a constant fitting parameter; rather, it must be explicitly evaluated to achieve physically meaningful predictions of mechanical behaviour at operating temperatures. This presentation therefore discusses why all strengthening contributions (e.g., Peierls stress, solid-solution strengthening, voids, bubbles, dislocation loops, dislocation lines, and grain boundaries) must be considered collectively, why appropriate superposition methods are essential when obstacles possess different barrier strength factors, how hardness measurements can be meaningfully related to tensile properties, and how TEM-derived microstructural information can be systematically incorporated into hardening models. More broadly, it outlines a pathway toward microstructure-informed prediction of mechanical properties and supports the goal of establishing science-based tools for evaluating structural materials in extreme environments [10].

Lin, Yan-Ru [ORNL] (ORCID:0000000339991473)↗
DOE OSTI2020

Chiral effective field theory calculations of weak transitions in light nuclei

In this work, we report quantum Monte Carlo calculations of weak transitions in A≤10 nuclei, based on the Norfolk two- and three-nucleon chiral interactions, and associated one- and two-body axial currents. Furthermore, we find that the contribution from two-body currents is at the 2–3% level, with the exception of matrix elements entering the rates of 8Li, 8B, and 8He β decay. These matrix elements are suppressed in impulse approximation based on the (leading order) Gamow Teller transition operator alone; two-body currents provide a 20–30% correction, which is, however, insufficient to bring theory in agreement with experimental data. For the other transitions, the agreement with the data is satisfactory, and the results exhibit a negligible to mild model dependence when different combinations of Norfolk interactions are utilized to construct the nuclear wave functions. We report a complete study of two-body weak transition densities which reveals the expected universal behavior of two-body currents at short distances throughout the range of A=3 to A=10 systems considered here.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Partial muon capture rates in A = 3 and A = 6 nuclei with chiral effective field theory

Searches for neutrinoless-double beta decay rates are crucial in addressing questions within fundamental symmetries and neutrino physics. The rates of these decays depend not only on unknown parameters associated with neutrinos, but also on nuclear properties. In order to reliably extract information about the neutrino, one needs an accurate treatment of the complex many-body dynamics of the nucleus. Neutrinoless-double beta decays take place at momentum transfers on the order of 100 MeV/$c$ and require both nuclear electroweak vector and axial current matrix elements. Muon capture, a process in the same momentum transfer regime, has readily available experimental data to validate these currents. In this work, we present results of {\it ab initio} calculations of partial muon capture rates for $^3$He and $^6$Li nuclei using variational and Green's Function Monte Carlo computational methods. We estimate the impact of the three-nucleon interactions, the cutoffs used to regularize two-nucleon ($2N$) interactions, and the energy range of $2N$ scattering data used to fit these interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Isospin-symmetry implications for nuclear two-body distributions and short-range correlations

Here, we study the implications of isospin symmetry in nuclear systems on two-body distributions and derive relations between different densities or momentum distributions of a given nucleus or of different nuclei in the same isospin multiplet. A connection between neutrinoless double beta decay transition of mirror nuclei and two-body densities is also obtained. The relations are numerically verified by means of quantum Monte Carlo calculations. We discuss the relevance of these results to the analysis of nuclear short-range correlations and also show that isospin symmetry allows us to extract information about the spectator nucleons when a short-range correlated pair is formed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗