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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Spectroscopic factors, overlaps, and isospin symmetry from an R -matrix point of view

Background: Spectroscopic factors, overlaps, and isospin symmetry are often used in conjunction with single-particle wave functions for the phenomenological analysis of nuclear structure and reactions. Many differing prescriptions for connecting these quantities to physically relevant asymptotic normalization constants or widths are available in the literature, but their relationship and degree of validity are not always clear. Purpose: This paper derives relationships among the above quantities of interest using well-defined methodology and starting assumptions. Method: R -matrix theory is used as the primary tool to interoperate among the quantities of interest to this work. Particular attention is paid to effects arising from beyond the nuclear surface, where isospin symmetry is strongly violated. Results: Relationships between the quantities of interest are derived. Example applications of these methods to mirror levels in nucleon + 12 C, nucleon + 16 O, and nucleon + 26 Al are presented. A new approach to multilevel mirror symmetry is derived and applied to the first three 2 + states of 18 O and 18 Ne. Conclusions: In this work, the relationship between the quantities of interest is clarified and certain procedures are recommended. It is found that the asymptotic normalization constant of the second 2 + state in 18 Ne deduced from the mirror state in 18 O is significantly larger than found in previous work. This finding has the effect of increasing the 17 F($\textit{p,γ}$) 18 Ne reaction rate in novae.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Global calculation of two-neutrino double- β decay within the finite amplitude method in nuclear density functional theory

Two-neutrino double-beta (2νββ) decay has been used to constrain the neutron-proton part of effective interactions, which in turn is used to compute the nuclear matrix elements for neutrinoless double-beta decay, the observation of which would have important consequences for fundamental physics. We carefully examine 2νββ matrix elements within the proton-neutron quasiparticle random-phase approximation with nuclear energy density functionals. Here we work with functionals that are fit globally to single-beta-decay half-lives and charge-exchange giant-resonance energies, but not to 2νββ half-lives themselves, to evaluate the 2νββ nuclear matrix elements for all important nuclei, including those whose half-lives have not yet been measured. Such a comprehensive evaluation in large model spaces without configuration truncation requires an efficient computational scheme; we employ a double contour integration within the finite amplitude method. The results generally reproduce the nuclear matrix element extracted from half-lives well, without the use of any of those half-lives in the fitting procedure. We present predictions of the matrix elements in a total of 27 nuclei with half-lives that are still unmeasured.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Establishing the Maximum Collectivity in Highly Deformed N = Z Nuclei

The lifetimes of the first excited 2 + states in the N = Z nuclei 80 Zr, 78 Y, and 76 Sr have been measured using the γ-ray line shape method following population via nucleon-knockout reactions from intermediate-energy rare-isotope beams. The extracted reduced electromagnetic transition strengths yield new information on where the collectivity is maximized and provide evidence for a significant, and as yet unexplained, odd-odd vs even-even staggering in the observed values. As a result, the experimental results are analyzed in the context of state-of-the-art nuclear density-functional model calculations.

59 ≤ A ≤ 89↗
DOE OSTI2024

Modification of Quark-Gluon Distributions in Nuclei by Correlated Nucleon Pairs

We extend the QCD Parton Model analysis using a factorized nuclear structure model incorporating individual nucleons and pairs of correlated nucleons. Our analysis of high-energy data from lepton deep-inelastic scattering, Drell-Yan, and W and Z boson production simultaneously extracts the universal effective distribution of quarks and gluons inside correlated nucleon pairs, and their nucleus-specific fractions. Such successful extraction of these universal distributions marks a significant advance in our understanding of nuclear structure properties connecting nucleon- and parton-level quantities. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Pionless effective field theory evaluation of nuclear polarizability in muonic deuterium

In this paper, we calculate the longitudinal structure function of the deuteron up through next-to-next-to-leading order in the framework of pionless effective field theory. We use these results to compute the two-photon polarizability contribution to Lamb shift in muonic deuterium, which can be utilized to extract the nuclear charge radius of the deuteron. We present analytical expressions order-by-order for the relevant transition matrix elements and the longitudinal structure function, and we give numerical results for the corresponding contributions to the Lamb shift. We also discuss the impact of relativistic and other higher-order effects. We find agreement with previous calculations and explain the accuracy of our calculation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

HFBTHO-AD: Differentiation of a nuclear energy density functional code

The HFBTHO code implements a nuclear energy density functional solver to model the structure of atomic nuclei. HFBTHO has previously been used to calibrate energy functionals and perform sensitivity analysis by using derivative-free methods. To enable derivative-based optimization and uncertainty quantification approaches, we must compute the derivatives of HFBTHO outputs with respect to the parameters of the energy functional, which are a subset of all input parameters of the code. Here, we use the algorithmic/automatic differentiation (AD) tool Tapenade to differentiate HFBTHO. We compare the derivatives obtained using AD against finite-difference approximation and examine the performance of the derivative computation.

Algorithmic differentiation↗
DOE OSTI2025

Quantum fluctuations of quarks and gluons in nuclei

Acceptance talk for the 2024 Kenneth G. Wilson Award for Excellence in Lattice Field Theory: For key contributions to lattice QCD studies of noise reduction in nuclear systems, the structure of nuclei, and transverse-momentum dependent hadronic structure functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Metal-Organic Frameworks: Structure, Function and Design via Hyperpolarized NMR Spectroscopy: Collaborative Proposal (Final Technical Report)

Nuclear magnetic resonance is a powerful tool to shed light on the properties of a vast range of materials but its use is affected by detection sensitivity. Throughout this work, we investigated new routes to dynamic nuclear spin polarization with an eye on applications to the study of metal-organic frameworks (MOFs). Work at the Meriles group focused on extending our understanding of the mechanisms governing the optical generation of spin order via photo-active electronic spin species and the subsequent transfer of spin polarization throughout the solid-state host.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nucleon off-shell structure and the free neutron valence structure from A=3 inclusive electron scattering measurements

Understanding the differences between the distribution of quarks bound in protons and neutrons is key for constraining the mechanisms of SU(6) spin-flavor symmetry breaking in Quantum Chromodynamics (QCD). While vast amounts of proton structure measurements were done, data on the structure of the neutron is much more spars as experiments typically extract the structure of neutrons from measurements of light atomic nuclei using model-dependent corrections for nuclear effects. Recently the MARATHON collaboration performed such an extraction by measuring inclusive deep-inelastic electron-scattering on helium-3 and tritium mirror nuclei where nuclear effects are expected to be similar and thus be suppressed in the helium-3 to tritium ratio. Here we evaluate the model dependence of this extraction by examining a wide range of models including the effect of using instant-form and light-cone nuclear wave functions and several different parameterizations of nucleon modification effects, including those with and without isospin dependence. We find that, while the data cannot differentiate among the different models of nuclear structure and nucleon modification, they consistently prefer a neutron-to-proton structure function ratio of at $x_B \rightarrow 1$ of $\sim 0.4$ with a typical uncertainty ($1\sigma$) of $\sim0.05$ and $\sim0.10$ for isospin-independent and isospin-dependent modification models, respectively. While strongly favoring SU(6) symmetry breaking models based on perturbative QCD and the Schwinger-Dyson equation calculation, the MARATHON data do not completely rule out the scalar di-quark models if an isospin-dependent modification exist.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Structural and biochemical analyses of the nuclear IκBζ protein in complex with the NF-κB p50 homodimer

As part of the efforts to understand nuclear IκB function in NF-κB-dependent gene expression, we report an X-ray crystal structure of the IκBζ ankyrin repeat domain in complex with the dimerization domain of the NF-κB p50 homodimer. IκBζ possesses an N-terminal α helix that conveys domain folding stability. Affinity and specificity of the complex depend on a small portion of p50 at the nuclear localization signal. The model suggests that only one p50 subunit supports binding with IκBζ, and biochemical experiments confirm that IκBζ associates with DNA-bound NF-κB p50:RelA heterodimers. Comparisons of IκBζ:p50 and p50:κB DNA complex crystallographic models indicate that structural rearrangement is necessary for ternary complex formation of IκBζ and p50 with DNA.

Cell Biology↗
DOE OSTI2023

A New Offering for the Seaman Status Labyrinth - Seaman Status for Nuclear Reactor Operators on Floating Nuclear Power Plants

Floating nuclear power plants present a unique operating environment for land-based nuclear reactor operators. Traditionally located in the control room of a nuclear power plant on land, development of floating nuclear power plants exposes the traditional land-based employees to the marine environment. With the extension of nuclear power generation facilities into the maritime domain, do nuclear reactor operators working on a floating nuclear power plant qualify as seaman under maritime law? Applying existing maritime law, the answer is no, a nuclear reactor operator who operates the nuclear reactor on a floating nuclear power plant does not qualify as a seaman because their work is not in support of the mission of the vessel and the reactor is not connected to a vessel because a floating nuclear power plant is not a vessel. Applying the analysis developed by the Supreme Court in Chandris v. Latsis and the recent Sanchez v. Smart Fabricators of Texas, L.L.C. en banc decision by the Fifth Circuit, a nuclear reactor operator on a floating nuclear power plant does not qualify for seaman status under the Jones Act because their function supports the operation of the reactor and the structure on which the reactor resides does not meet the reasonable person standard established in Lozman v. City of Riviera Beach. Further, existing case law highlights that rendering a structure practically impossible to move eliminates the structure from consideration as a vessel. Because a floating nuclear power plant may be anchored at a seaport or anchored offshore but connected via transmission cables and protected by physical protection barriers, a floating nuclear power plant, with no current means of propulsion is rendered a power plant on water, which is its true function. Recognizing that technological change may alter the conclusion presented in this Article, current designs and structures that exist illustrate the intersection between nuclear and maritime law and the ever-evolving concepts that underpin seamen status in maritime law.

Fialkoff, Marc↗
DOE OSTI2020

Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional

We investigate the temperature dependence of nuclear quantum effects (NQEs) on structural and dynamic properties of liquid water by training a neural network force field using first-principles molecular dynamics (FPMD) based on the strongly constrained and appropriately normed meta-generalized gradient approximation exchange-correlation approximation. The FPMD simulation based on density functional theory has become a powerful computational approach for studying a wide range of condensed phase systems. However, its large computational cost makes it difficult to incorporate NQEs in the simulation and investigate temperature dependence of various properties. To circumvent this difficulty, we use an artificial neural network model and employ the thermostatted ring polymer MD approach for studying the temperature dependence of NQEs on various properties. The NQEs generally bring the radial distribution functions closer to the experimental measurements. Translational diffusivity and rotational dynamics of water molecules are both slowed down by the NQEs. The competing inter-molecular and intra-molecular quantum effects on hydrogen bonds, as discussed by Habershon, Markland, and Manolopoulos [J. Chem. Phys. 131(2), 024501 (2019)], can explain the observed temperature dependence of the NQEs on the dynamical properties in our simulation.

Yao, Yi (ORCID:0000000299576979)↗
DOE OSTI2020

In-beam γ-ray and electron spectroscopy of 249,251 Md

The odd-Z 251 Md nucleus was studied using combined γ-ray and conversion-electron in-beam spectroscopy. Besides the previously observed rotational band based on the [521]1/2 - configuration, another rotational structure has been identified using γ-γ coincidences. The use of electron spectroscopy allowed the rotational bands to be observed over a larger rotational frequency range. Using the transition intensities that depend on the gyromagnetic factor, a [514]7/2 - single-particle configuration has been inferred for this band, i.e., the ground-state band. A physical background that dominates the electron spectrum with an intensity of ≃60% was well reproduced by simulating a set of unresolved excited bands. Moreover, a detailed analysis of the intensity profile as a function of the angular momentum provided a method for deriving the orbital gyromagnetic factor, namely g K = $0.69$ $^{+0.19}_{-0.16}$ for the ground-state band. The odd-Z 249 Md was studied using γ-ray in-beam spectroscopy. Evidence for octupole correlations resulting from the mixing of the Δl = Δ j = 3 [521]3/2 - and [633]7/2 + Nilsson orbitals were found in both 249,251 Md. Here, a surprising similarity of the 251 Md ground-state band transition energies with those of the excited band of 255 Lr has been discussed in terms of identical bands. Lastly, Skyrme-Hartree-Fock-Bogoliubov calculations were performed to investigate the origin of the similarities between these bands.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

DOE Hanford Tank Side Cesium Removal System (TSCR) Update: Fabrication and Factory Acceptance Testing - 20300

The Tank Side Cesium Removal (TSCR) System is a modular, quickly-deployable, and passively safe system for efficiently removing solids and cesium from alkaline liquid waste raffinate created by fuel processing on the Hanford site. This paper provides an overview of the project with particular emphasis on completion of fabrication and factory acceptance testing (FAT). All TSCR System components are inside three enclosures known as the Process Enclosure, Ancillary Enclosure, and Control Enclosure. The Process Enclosure is seismic design category II (SDC-II) and built to withstand the rigors of transportation and lifting, high winds, volcanic ash fall, and heavy precipitation (snow) over a temperature range of -25 to 115 deg. F. The Process Enclosure and Control Enclosure were fabricated in AVANTech's Columbia, SC facility, while the Ancillary Enclosure was fabricated in AVANTech's Richland, WA facility. The design and preliminary documented safety analysis were completed in December 2019, with all work being performed in accordance with ASME NQA-1 quality assurance requirements. The Process Enclosure, Ion Exchange Columns (IXCs), and several other TSCR components have a nuclear safety function and are designated as safety significant structures, systems, and components (SS-SSCs). The NQA-1 Commercial Grade Dedication (CGD) process was used to identify critical characteristics in order to accept materials and items used for fabrication of several safety significant TSCR components. This paper also addresses unique aspects and challenges of implementing CGD in DOE facilities and systems. After fabrication and preliminary testing, the Process and Control Enclosures were shipped to AVANTech's Richland facility where the complete TSCR System was setup and connected in a represented layout and configuration that will be used on the Hanford site. Test tanks and pumps were put in place and connected to the TSCR Process Enclosure in a manner that mimicked interfacing Double Shell Tanks in the 241-AP Tank Farm. The TSCR System was then tested/operated under conditions equivalent to those planned for onsite operation. Testing was separated into five separate phases as defined below: - Phase 1: Confirmation of TSCR System readiness for the FAT; - Phase 2: Verification of TSCR System operation under standard conditions; - Phase 3: Demonstration of TSCR System operation under non-standard conditions; - Phase 4: Demonstration of ion exchange media removal from an IXC; and - Phase 5: Completion of TSCR System lift plans and site mobilization. The Hanford Tank Operations Contractor, Washington River Protection Solutions (WRPS), participated in all phases of testing. Testing at AVANTech's Richland Facility allowed WRPS personnel to familiarize themselves with TSCR operations in a radiologically clean facility prior to onsite mobilization. Engineering and operations personnel gained valuable experience that allowed them to better refine onsite operational protocols and procedures - including handling and movement of IXCs with a forklift. This paper describes the technologies used by the TSCR System as well as how these technologies are deployed and operated to advance the Hanford mission of safely, efficiently, and effectively treating tank waste. It also provides detailed information on fabrication and FAT, including operational data from simulated tank waste runs. A project schedule for WRPS' planned construction acceptance testing, operational acceptance testing, and actual tank waste treatment is provided. This presentation should be of great interest to parties responsible for the design, testing, and mobilization of modular NQA-1 technologies for the treatment of raffinate and similar liquid wastes containing high concentrations of radioactive cesium. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

TRISO Fuel’s Safety Functions, Contributions to Reactor Safety, and Necessary Safety Limits

Safety functions are the actions, passive or active, that structures, systems, and components of nuclear facility that contribute to the safety of the workers, the public, or the environment. Well-defined safety functions are the foundation of a solid safety case for a reactor. For reactors that use TRISO-coated particles, the TRISO fuel plays an important part of the safety case because of its ability to contain radionuclides in the fuel itself. This ability enables the use of a functional containment strategy for the reactor where radionuclide retention is the primary safety function supported by the safety functions of controlling reactivity control and controlling heat rejection. This paper establishes at a deeper level the role that TRISO fuel plays in each of these safety functions and associated quality assurance and testing requirements for TRISO particle manufacturing to ensure these safety functions. Safety limits necessary to protect these safety functions include: operational limits, time at temperature limits, and fission gas release activity limits. In conclusion, this approach demonstrates the role that specific aspects of TRISO fuel play in protecting the safety of workers, the public, and the environment.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Electronic Structures and Magnetism of Zr-, Th-, and U-based Metal-Organic Frameworks (MOFs) by Density Functional Theory

Metal-organic frameworks (MOFs) have recently gained wide interest as candidate materials for nuclear waste immobilization. While the fundamental thermodynamic properties, such as the substitution energies determine the favorability of radionuclide sequestration by utilization of a MOF matrix, the studies of MOF electronic structure reveal the role of d-, and/or f-electrons on changes in physical properties of actinide-containing materials. We use density functional theory (DFT) calculations to investigate the electronic structures of Zr-, Th-, and U-MOFs, including their electronic band structures and, where appropriate, their magnetic properties. We employ various DFT methods including DFT+U, collinear spin-polarization, spin-orbit coupling, and different flavors of exchange-correlation functionals to assess the robustness to the specific exchange-correlation functional. Unlike the Zr-, and Th-MOFs, the U-MOF is found to be sensitive to electron localization and spin; hence we explore the magnetic structure of the U-MOF in further detail.

Metal-Organic Framework, MOF, Actinides, DFT↗