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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

β + Gamow-Teller Strengths from Unstable 14 O via the (d, 2 He) Reaction in Inverse Kinematics

For the first time, the (d, 2 He) reaction was successfully used in inverse kinematics to extract the Gamow-Teller transition strength in the β + direction from an unstable nucleus. The new technique was made possible by the use of an active-target time-projection chamber and a magnetic spectrometer, and opens a path to addressing a range of scientific challenges, including in astrophysics and neutrino physics. Here, in this Letter, the nucleus studied was 14 O, and the Gamow-Teller transition strength to 14 N was extracted up to an excitation energy of 22 MeV. The data were compared to shell-model and state-of-the-art coupled-cluster calculations. Shell-model calculations reproduce the measured Gamow-Teller strength distribution up to about 15 MeV reasonably well, after the application of a phenomenological quenching factor. In a significant step forward to better understand this quenching, the coupled-cluster calculation reproduces the full strength distribution well without such quenching, owing to the large model space, the inclusion of strong correlations, and the coupling of the weak interaction to two nucleons through two-body currents.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Zirconium nanoparticle coating development for FCCI diffusion barrier in nuclear cladding

Fuel clad chemical interaction (FCCI) is a pervasive issue for metallic nuclear fuels. FCCI can damage cladding, reduce thermal efficiency, and compromise the structural integrity of the fuel rod. In this study, we evaluated the FCCI mitigation capabilities of electrophoretically-deposited Zr nanoparticle coatings on ferritic-martensitic stainless-steel cladding (HT9). Zr was deposited on the internal surface of 6 mm outer diameter cladding using electrophoretic deposition (EPD). Thickness varied among samples with similar EPD conditions. A uniformly coated sample was selected and sent to the Argonne Tandem Linac Accelerator System (ATLAS) to simulate the coating's behavior under irradiation conditions. Furthermore, the coating prevented FCCI in diffusion couple studies. Results of this study confirm that Zr could potentially make an effective FCCI barrier in metallic fuel rods but the deposition process needs improvement.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Proton-proton interactions and onset of deconfinement

The experiment of the NA61/SHINE Collaboration at the CERN SPS is performing a unique study of the phase diagram of strongly interacting matter by varying collision energy and nuclear mass number of colliding nuclei. In central Pb + Pb collisions, the experiment of the NA49 Collaboration found structures in the energy dependence of several observables in the energy range of the CERN SPS that had been predicted for the transition to a deconfined phase. New measurements of the NA61/SHINE Collaboration find intriguing similarities in $p + p$ interactions for which no deconfinement transition is expected at the energies of the SPS. Possible implications will be discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Quantum simulations of SO(5) many-fermion systems using qudits

The structure and dynamics of many-body systems are the result of a delicate interplay between underlying interactions. Fermionic pairing, for example, plays a central role in various physical systems, ranging from condensed matter to nuclear systems, where it can lead to collective phenomena such as superconductivity and superfluidity. In atomic nuclei, the interplay between pairing and particle-hole interactions leads to a high degree of complexity and intricate entanglement structures. Despite this apparent complexity, symmetries emerge and manifest themselves in observable regular patterns. These symmetries and their breakings have long been used to determine relevant degrees of freedom and simplify classical descriptions of many-body systems. Here, this work explores the potential utility of quantum computers with arrays of qudits in simulating interacting fermionic systems, when the qudits can naturally map the relevant degrees of freedom determined by an underlying symmetry group. The Agassi model of fermions interacting via particle-hole and pairing interactions is based on an underlying so(5) algebra. Such systems can intuitively be partitioned into pairs of modes with five basis states, which thus naturally map to arrays of d = 5 qudits (qu5its). Classical noiseless simulations of the time evolution of systems with up to twelve qu5its are performed, by implementing quantum circuits that are developed herein, using PYTHON codes invoking Google's CIRQ software. The resource requirements of the qu5it circuits are analyzed and compared with two different mappings to qubit systems: a physics-aware Jordan-Wigner mapping requiring four qubits per mode pair and a state-to-state mapping requiring three qubits per mode pair. While the dimensionality of Hilbert spaces in mappings to qu5it systems are less than those for the corresponding qubit systems, the number of entangling operations, depending on the available hardware, can either be greater or smaller than for the physics-aware Jordan-Wigner mapping. The state-to-state mapping, while having a smaller Hilbert space than Jordan-Wigner mappings, appears to be the least efficient in gate counts. Further, a previously unknown sign problem has been identified from Trotterization errors in time evolving high-energy excitations. There appear to be advantages in employing quantum computers with arrays of qudits to perform simulations of many-body dynamics that exploit the role of underlying symmetries, specifically in lowering the required quantum resources and in reducing anticipated errors that take the simulation out of the physical space. If the necessary entangling gates are not directly supported by the hardware, physics-aware mappings to qubits may, however, be advantageous for other aspects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

First Measurement of the Isospin-Dependence of Nuclear Structure Functions at 12 GeV Jefferson Lab

The structure functions of protons and neutrons provide crucial insight into how the strong nuclear force, as described by Quantum Chromodynamics (QCD), manifests at everyday energies, allowing us to better understand precisely how quarks and gluons interact to form the basic building blocks of almost all visible mass in our universe. Despite more than 40 years of experimental and theoretical effort, the EMC effect – the observation that nuclear structure functions appear to be modified from those of free nucleons – is still not fully understood. One open question that remains is whether or not the modification of quark distributions is the same for all quark flavors. Determining the flavor (isospin) dependence of the EMC effect, which is predicted by several models, is essential for coming to a complete understanding of how QCD manifests in nuclei. To this end, inclusive electron Deep Inelastic Scattering (DIS) from nuclei with approximately constant atomic mass number A and variable proton-to-neutron ratio N/Z was measured in Jefferson Lab experiment E12-10-008 to look for isospin-dependent modification of nuclear structure functions. The preliminary EMC ratios presented here cover a kinematic range of 2.8 < Q2 < 8.1 GeV2 and 0.18 < xBj < 1.0. The size of the EMC effect in these nuclei is extracted by calculating the slope of the EMC ratio as a function of Bjorken x (xBj ) over the ranges 0.3 < xBj < 0.6 and 0.3 < xBj < 0.7; these slopes then are compared with existing world data. Our preliminary results do not appear to indicate significant isospin-dependence of the EMC effect, though a more careful study is needed once all results are confirmed.

Cotton, Cameron William [Univ. of Virginia, Charlo↗
DOE OSTI2023

Shell-model calculations for two-neutron transfer near the $N=20$ island of inversion

We describe connections between shell-model calculation results and predictions for two-nucleon transfer reactions. Measurements of the 30 Mg(t,p) 32 Mg reaction were used to identify a low-lying shape-coexisting 0 + state in 32 Mg. Interpretations of those early, limited data were based on simple empirical models. The cross sections for two-nucleon transfer are, however, extremely sensitive to the details of the nuclear-structure. Motivated by the possibility of new high-resolution two-nucleon transfer measurements around the N = 20 Island of Inversion, we have performed shell-model calculations wave functions for states in the nuclei 30,32 Mg using the SDPF-M and SDPF-MU interactions, and from those calculations obtain the two-nucleon transfer amplitudes that we use to predict cross sections for the 28,30 Mg(t,p) 30,32 Mg reactions. The combined results show how the nuclear structure properties influence experimental observables for the (t,p) reaction. We compare our results with the existing data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Hydration structure and energetics of iron-exchanged montmorillonite

The interaction between iron released from corroded steel canisters and bentonite is a key process influencing the long-term performance of nuclear waste repositories. In particular, the migration of Fe²⁺ into montmorillonite (Mnt) interlayers may alter its hydration, swelling, and ion-transport properties. In the present study, molecular dynamics simulations were performed to investigate the hydration behavior, structural response, and transport properties of Fe-exchanged montmorillonite (Fe-Mnt) under varying hydration states. The simulations focus on short- to intermediate-time-scale Fe 2+ and Fe 3+ interlayer exchange and hydration effects, and do not consider long-term structural substitution, Fe-bearing clay phase stabilization, or secondary iron mineral precipitation. Systems containing Na + -, Fe 2+ -, and Fe 3+ -Mnt were examined using both periodic and edge-exposed configurations to evaluate interlayer structure, ion exchange, and free energy of Fe intercalation. The results show that Fe ions influence the interlayer spacing primarily at low water contents (<1 bilayer), where Fe-Mnt exhibits a d-spacing 1–2 Å larger than Na-Mnt due to stronger hydration. The calculated hydration energies follow the order Fe 2+ $<$Fe 3+ $<$Na + . Both water and ion diffusion coefficients decrease upon Fe ion intercalation, with Fe 2+ ions diffusing an order of magnitude more slowly than those of Na + . Free energy profiles further confirm that Fe 2+ and Fe 3+ ions are thermodynamically favored in the interlayer, with Fe 3+ being the most stable. In conclusion, these findings provide molecular-scale insights into the mechanisms of Fe–Na exchange and their implications for bentonite alteration in repository environments.

clay↗
DOE OSTI2020

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Lead-halide perovskites increasingly mesmerize researchers because they exhibit a high degree of structural defects and dynamics yet nonetheless offer an outstanding (opto)electronic performance on par with the best examples of structurally stable and defect-free semiconductors. This highly unusual feature necessitates the adoption of an experimental and theoretical mindset and the reexamination of techniques that may be uniquely suited to understand these materials. Surprisingly, the suite of methods for the structural characterization of these materials does not commonly include nuclear magnetic resonance (NMR) spectroscopy. The present study showcases both the utility and versatility of halide NMR and NQR (nuclear quadrupole resonance) for probing the structure and structural dynamics of CsPbX 3 (X = Cl, Br, I), in both bulk and nanocrystalline forms. The strong quadrupole couplings, which originate from the interaction between the large quadrupole moments of, e.g., the 35 Cl, 79 Br, and 127 I nuclei, and the local electric-field gradients, are highly sensitive to subtle structural variations, both static and dynamic. The quadrupole interaction can resolve structural changes with accuracies commensurate with synchrotron X-ray diffraction and scattering. It is shown that space-averaged site-disorder is greatly enhanced in the nanocrystals compared to the bulk, while the dynamics of nuclear spin relaxation indicates enhanced structural dynamics in the nanocrystals. The findings from NMR and NQR were corroborated by ab initio molecular dynamics, which point to the role of the surface in causing the radial strain distribution and disorder. These findings showcase a great synergy between solid-state NMR or NQR and molecular dynamics simulations in shedding light on the structure of soft lead-halide semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Superallowed decays within and beyond the standard model

This note reviews the role of superallowed transitions in determining the strength of the weak interaction among the lightest quarks and in searching for new physics beyond the standard electroweak model. The two sets of superallowed decays in nuclei considered here are pure Fermi and mirror transitions. The first have been scrutinized for more than 50 years. Here, the most relevant results are presented and the role of the nucleus-dependent radiative correction and nucleus-independent inner radiative correction are reviewed. In this context, the systematic study of mirror transitions started about 15 years ago. Despite the significant progress made since then, the data is still limited by experimental uncertainties. Combining the results from all superallowed transitions, which are fully consistent, provides a test of unitarity of the first row of the Cabibbo-Kobayashi-Maskawa matrix, which displays a 2σ tension with the standard model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nuclear structure and band mixing in Pt 194

We introduce a two-particle, two-hole mixed configuration scheme to fit E2 strengths for the 0 ↔ 2, 2 ↔ 4, and 4 ↔ 6 transitions in 194 Pt. The interaction includes two sets of pairing operators, {S ± (t), S 0 (t)} (t = s, d). Solutions within this framework are used to analyze energy spectra, E2 transitions, and band-mixing features of the model. The results confirm that mixing is small and similar for J = 2, 4, and 6, with the calculated energies and transition matrix elements in excellent agreement with experimental data.

190 ≤ A ≤ 219↗
DOE OSTI2020

Connecting particle interactions to agglomerate morphology and rheology of boehmite nanocrystal suspensions

Rheology imposes significant challenges on processing of complex suspensions such as nuclear waste slurries at the Hanford and Savannah River sites. Understanding rheology connecting to microstructures and underlying particle interactions in complex slurries is therefore important for both fundamental knowledge and practical applications. Here, we use suspensions of aluminum oxyhydroxide minerals in the form of boehmite as an analog of the radioactive waste slurry to gain physical insights on the correlation between particle interactions, microstructures, and slurry rheology. Specifically, we use a combination of Couette rheometry and small-angle scattering techniques (independently and simultaneously) to understand how the slurry microstructure changes under flow and how these structural changes manifest themselves in the bulk rheology of the suspensions. Our experiments show that the boehmite slurries are thixotropic, with the rheology and structure of the suspensions changing with increasing exposure to flow. In the slurries, particle aggregates begin as loose, system-spanning clusters, but exposure to moderate shear rates causes the aggregates to irreversibly consolidate into denser clusters of finite size. The microstructural changes directly influence the rheological properties of the slurries such as viscosity and viscoelasticity. More importantly, our study shows that solution pH affects the amount of structural rearrangement and the kinetics of the rearrangement process, with an increase in pH leading to faster and more dramatic changes in the bulk rheology. Such dynamic microstructural changes and resultant rheology are understood via correlations between particle interactions and strength of particle network, coupled with surface chemistry and anisotropic nature of particle interactions. Nearly identical structural changes are also observed in Poiseuille flow geometries, implying that the observed changes are relevant in the pipe flow conditions present during waste processing.

Weston, Javen S.↗
DOE OSTI2020

Electrically tuned hyperfine spectrum in neutral Tb( II )(Cp iPr5 ) 2 single-molecule magnet

Molecular spin qubits with long spin coherence time as well as non-invasive operation methods on such qubits are in high demand. It was shown that both molecular electronic and nuclear spin levels can be used as qubits. In solid state systems with dopants, an electric field was shown to effectively change the spacing between the nuclear spin qubit levels when the electron spin density is high at the nucleus of the dopant. Inspired by such solid-state systems, we propose that divalent lanthanide (Ln) complexes with an unusual electronic configuration of Ln 2+ have a strong interaction between the Ln nuclear spin and the electronic degrees of freedom, which renders electrical tuning of the interaction. Furthermore, as an example, we study electronic structure and hyperfine interaction of the 159 Tb nucleus in a neutral Tb(II)(Cp iPr5 ) 2 single-molecule magnet (SMM), which exhibits unusually long magnetization relaxation time, using the complete active space self-consistent field (CASSCF) method with spin–orbit interaction included within the restricted active space state interaction (RASSI). Our calculations show that the low-energy states arise from 4f 8 (6s,5d z 2 ) 1 , 4f 8 (5d x 2 -y 2 ) 1 , and 4f 8 (5d xy ) 1 configurations. We compute the hyperfine interaction parameters and the electronic–nuclear spectrum within our multiconfigurational approach. We find that the hyperfine interaction is about one order of magnitude greater than that for Tb(III)Pc 2 SMMs. This stems from the strong Fermi contact interaction between the Tb nuclear spin and the electron spin density at the nucleus that originates from the occupation of the (6s,5d) orbitals. We also uncover that the response of the Fermi contact term to electric field results in electrical tuning of the electronic–nuclear level separations. This hyperfine Stark effect may be useful for applications of molecular nuclear spins for quantum computing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

COMSOL Results for the Nominal Steady-State Operation of the Proposed 95-MW LEU Silicide Core for HFIR Conversion

Engineering design studies are being performed to determine the feasibility of converting the High Flux Isotope Reactor (HFIR) from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel at Oak Ridge National Laboratory. This activity is sponsored by the Office of Reactor Conversion and Uranium Supply (ORCUS) under the auspices of the US Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization. HFIR is a very high flux, pressurized, light water–cooled and moderated, flux trap–type research reactor with a core made of involute shaped U 3 O 8 /Al cermet fuel plates and coolant channels. HFIR currently operates at a thermal power of 85 MW and supports key national and international missions in neutron scattering, isotope production, materials/fuels irradiation, neutron activation analysis, gamma irradiation, and neutrino research. Advanced multiphysics computational fluid dynamics models have been developed in the COMSOL Multiphysics software to simulate the steady-state operating conditions for the proposed low-and high-density LEU U 3 Si 2 -Al (uranium silicide dispersion) fuel designs. The COMSOL models for HFIR inner and outer fuel element models incorporate various essential inputs and physics such as spatially dependent nuclear heat deposition, multilayer heat conduction, conjugate heat transfer, turbulent flows (using Reynolds-averaged Navier Stokes turbulence models), structural mechanics (thermal–structural interactions and fuel swelling), and oxide layer build-up. This report presents the best-estimate thermal hydraulics results for the low- and high-density optimized silicide LEU core designs at 95 MW steady-state nominal operation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Precision measurement of the longitudinal double-spin asymmetry for dijet production at intermediate pseudorapidity in polarized 𝑝⁢𝑝 collisions at $\sqrt{s}$ = 200 GeV

The STAR Collaboration reports precise measurements of the longitudinal double-spin asymmetry, 𝐴 𝐿⁢𝐿 , for dijet production with at least one jet at intermediate pseudorapidity 0.8 < 𝜂 jet < 1.8 in polarized proton-proton collisions at a center-of-mass energy of 200 GeV. This study explores partons scattered with a longitudinal momentum fraction (𝑥) from 0.01 to 0.5, which are predominantly characterized by interactions between high-𝑥 valence quarks and low-𝑥 gluons. The results are in good agreement with previous measurements at 200 GeV with improved precision and are found to be consistent with the predictions of global analyses that find the gluon polarization to be positive. In contrast, the negative gluon polarization solution from the JAM Collaboration is found to be strongly disfavored.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Revealing Molecular Mechanisms in Hierarchical Nanoporous Carbon via Nuclear Magnetic Resonance

Hierarchical nanoporous carbons (HNC) have been proven to be an effective adsorbent for the adsorption of volatile organic compounds (VOCs) and CO 2 . However, questions remain regarding the hierarchical structure regulation, the adsorption mechanisms of adsorbate uptake, and interactions within the HNC. Here, we synthesize HNC from wood, using a microwave-induced heating method incorporating K 2 CO 3 activation. Our HNC exhibit Murray's law multiscale structures, prompting a molecular-scale study of adsorbate adsorption via nuclear magnetic resonance (NMR). NMR chemical shifts are consistent with ring-current effects from the adsorbent. Our NMR technique provides a convenient way to quantitate adsorption of adsorbate in HNC. VOC vapor adsorption results show NMR chemical-shift changes with time, suggesting initial adsorption into mesopores, followed by diffusion into micropores. Schroeder's paradox is demonstrated by differences in observed shifts for adsorbed liquid vis-à-vis vapor phase in these HNC. These HNC show high CO 2 adsorption capacity, portending applications to carbon capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Examination of decay heat measurements and their relevance for understanding the origin of the reactor antineutrino anomaly

Measurements of the decay energy released as a function of time following the thermal neutron induced fission of 235 U and 239,241 Pu were performed in the 1970s at Oak Ridge National Laboratory with the purpose of quantifying possible loss of coolant accident scenarios. The derivative of this decay energy with respect to time, known in technical parlance as decay heat, is mainly composed of two terms, that of the electrons produced together with antineutrinos in the $β$-minus decay of the neutron-rich fission products, and that of the $γ$ rays produced in the subsequent decay of excited nuclear levels. In this work we study if this extensive set of decay energy measurements can be used to assess the reactor antineutrino anomaly, that is, the approximately 5% deficit of electron antineutrinos produced by nuclear reactors, first deduced by Mention and collaborators in 2011, and observed by the major reactor antineutrino experiments since. Furthermore, with the assistance of nuclear databases, we are able to obtain the ratio of electron spectra under equilibrium conditions for 235 U to 239 Pu, in better agreement with the lower trend recently reported by Kopeikin and collaborators, as well as those for 235 U to 241 Pu and 241 Pu to 239 Pu, which do not agree well with those measured at the Institut Laue-Langevin in the 1980s. We conclude that a new experimental campaign is needed to measure the electron spectra utilizing a high resolution and signal-to-noise-ratio electron spectrometer and a highly precise fission normalization procedure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Chiral effective field theory calculation of neutrino reactions in warm neutron-rich matter

Neutrino scattering and absorption rates of relevance to supernovae and neutron star mergers are obtained from nuclear matter dynamical structure functions that encode many-body effects from nuclear mean fields and correlations. In this study, we employ nuclear interactions from chiral effective field theory to calculate the density, spin, isospin, and spin-isospin response functions of warm β-equilibrium nuclear matter. We include corrections to the single-particle energies in the mean field approximation as well as vertex corrections resummed in the random phase approximation (RPA), including both direct and exchange diagrams. We find that correlations included through the RPA redistribute the strength of the response to higher energy for neutrino absorption and lower energy for antineutrino absorption. This tends to suppress the absorption rate of electron neutrinos across all relevant energy scales. In contrast, the inclusion of RPA correlations enhances the electron antineutrino absorption rate at low energy and suppresses the rate at high energy. These effects are especially important at high-density and in the vicinity of the neutrino decoupling region. Implications for heavy element nucleosynthesis, electromagnetic signatures of compact object mergers, supernova dynamics, and neutrino detection from galactic supernovae are discussed briefly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗