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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

The line-emitting gas in active galaxies - A probe of the nuclear engine

This paper reviews some of the basic questions regarding the structure of the engine powering active galactic nuclei (AGN), the nature of the interaction between the AGN and the host galaxy, and the origin and evolution of AGN. The study of the dynamics and physical characteristics of the line-emitting gas in these objects has proven fruitful in addressing many of these issues. Recent advances in optical and infrared detector technology combined with the development of superior ground-based instruments have produced efficient new tools for the study of the line-emitting gas on nuclear and Galactic scales. Programs which take advantage of two of these new techniques, Fabry-Perot imaging spectroscopy and infrared spectroscopy, are described in this paper. The origin of nuclear activity in galaxies is also addressed in a third project which aims at determining the nature of luminous infrared galaxies.

Veilleux, Sylvain↗
DOE OSTI2024

Structure of HIV-1 RRE stem-loop II identifies two conformational states of the high-affinity Rev binding site

During HIV infection, specific RNA-protein interaction between the Rev response element (RRE) and viral Rev protein is required for nuclear export of intron-containing viral mRNA transcripts. Rev initially binds the high-affinity site in stem-loop II, which promotes oligomerization of additional Rev proteins on RRE. Here, we present the crystal structure of RRE stem-loop II in distinct closed and open conformations. The high-affinity Rev-binding site is located within the three-way junction rather than the predicted stem IIB. The closed and open conformers differ in their non-canonical interactions within the three-way junction, and only the open conformation has the widened major groove conducive to initial Rev interaction. Rev binding assays show that RRE stem-loop II has high- and low-affinity binding sites, each of which binds a Rev dimer. We propose a binding model, wherein Rev-binding sites on RRE are sequentially created through structural rearrangements induced by Rev-RRE interactions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Factors Influencing Preferential Anion Interactions during Solvation of Multivalent Cations in Ethereal Solvents

Most multivalent secondary batteries have employed electrolytes composed of cyclic ether solvents such as tetrahydrofuran or linear glycol ether solvents (glymes) such as 1,2-dimethoxyethane (G1). A robust understanding of multivalent cation solvation tendencies in these classes of solvents provides insight into corresponding structure–property relationships which, in turn, promotes the design and discovery of improved electrolytes. In this work, our goal is to systematically address how electrolyte constituent properties, namely, ether solvent structure and dication size, direct the solvation interactions of divalent electrolytes and their resultant properties. This study utilizes pulsed-field gradient (PFG) nuclear magnetic resonance (NMR) spectroscopy in conjunction with Raman spectroscopy and ionic conductivity measurements to elucidate the preferential interactions between multivalent cations, anions, and solvent molecules along with their correlated ion dynamics. These investigations incorporate two representative divalent cations (Ca 2+ and Zn 2+ ) as well as two ethereal solvent representatives from both the cyclic ether and glyme structural classes. The results reveal that anions coordinate more readily with divalent cations in cyclic ethers than in glymes. Furthermore, the coordination of the anions with Ca 2+ , i.e., contact-ion pair (CIP) formation is more pronounced than with Zn 2+ in a glyme solvent of limited chain length (G1), providing insight into cation size effects that are important for translating solvation behavior across various multivalent electrolytes. Importantly, we find that specific anion coordination is more strongly controlled by solvent structure than by salt concentration in the practical range of 0.1–0.5 M. However, simply reducing these inner-sphere inter-ionic interactions by changing solvent structure does not necessarily de-correlate ionic motion. Instead, concentration-dependent changes in molar ionic conductivity suggest that second-shell interactions, i.e., solvent separated ion pairs (SSIPs), are prevalent in these electrolytes and that the solution dielectric constant, which is increased by the presence of dipolar ion pairs, is critical for controlling these interactions. These findings thus provide a basis for understanding the physical chemistry of multivalent battery electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

K-shell internal conversion coefficient for M4 decay of the 30.8 keV isomer in 93 Nb

The 30.8 keV (1/2) – isomeric state in $^{93}_{41}$Nb decays by an M4 transition to the (9/2) + ground state. Here, we have measured the K-shell internal conversion coefficient α K for this transition in order to test the validity of current methods of calculation for a case with relatively low atomic number, low transition energy, and a high value of α K . Taking the fluorescence yield of niobium to be 0.751(4), we obtain α K = 2.56(9) × 10 4 , a result that agrees with the Dirac-Fock calculations that take into account the presence of a K vacancy in the final state, and disagrees by 1.7 standard deviations with calculations that ignore the vacancy. We also determine the energy of the isomeric state to be 30.760(5) keV, a fourfold improvement in precision over the currently accepted value.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Modified Brink-Axel hypothesis for astrophysical Gamow-Teller transitions

Weak interaction charged current transition strengths from highly excited nuclear states are fundamental ingredients for accurate modeling of compact object composition and dynamics, but are difficult to obtain either from experiment or theory. For lack of alternatives, calculations have often fallen back upon a generalized Brink-Axel hypothesis, that is, assuming the strength function (transition probability) is independent of the initial nuclear state but depends only upon the transition energy and the weak interaction properties of the parent nucleus ground state. Here we present numerical evidence for a modified “local” Brink-Axel hypothesis for Gamow-Teller transitions for pf-shell nuclei relevant to astrophysical applications. Specifically, while the original Brink-Axel hypothesis does not hold globally, strength functions from initial states nearby in energy are similar within statistical fluctuations. This agrees with previous work on strength function moments. Using this modified hypothesis, we can tackle strength functions at previously intractable initial energies, using semiconverged initial states at arbitrary excitation energy. Our work provides a well-founded method for computing accurate thermal weak transition rates for medium-mass nuclei at temperatures occurring in stellar cores near collapse. We finish by comparing results to previous calculations of astrophysical rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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↗
NASA NTRS1981

Computational methods in nonlinear structural and solid mechanics; Proceedings of the Symposium, Washington, D.C., October 6-8, 1980. Symposium sponsored by the George Washington University and NASA

Topics discussed include computational strategies for nonlinear problems in structural mechanics, time integration techniques and the numerical solution of nonlinear algebraic equations, material characterization and nonlinear fracture mechanics, nonlinear interaction problems, and seismic response and the nonlinear analysis of concrete structures. Also considered are nonlinear problems for nuclear reactors, crash dynamics and impact problems, nonlinear problems of fibrous composites and advanced nonlinear applications, and computerized symbolic manipulation and nonlinear analysis software systems.

Noor, A. K.↗
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↗