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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Boson Fermion Nucleus Polynuclear Structure: Monograph #11

The boson fermion nucleus (BFN) structure indicates the possibility of stable, nonradioactive polynuclear structures bound by the strong nuclear force. In the process of making polynuclear structures, BFN self-ordering on the nuclear level as a stable structure resembles the self-ordering of carbon atoms at the atomic level into buckminsterfullerene, graphene sheet, or graphene nanotubes. This natural assembly derives from the modulation of electron orbital collapse, which decreases coulomb repulsion between atoms and allows a natural reordering among nuclear structures by modulating the permeability of free space. Polynuclear material would be unearthly in tensile strength, thermal and electrical conductivity, and heat of disassociation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Deterministic Fabrication of Large-Area, High-Crystallinity Oxide Moiré Superlattices

Oxide twistronics extends moiré engineering beyond van der Waals materials, offering a promising platform for accessing emergent interfacial phenomena arising from the strong coupling of lattice, charge, and orbital degrees of freedom in complex oxides. However, deterministic fabrication of high-crystallinity oxide moiré superlattices over large lateral dimensions remains challenging due to the three-dimensional bonding network of oxides. Here, we demonstrate a scalable, generalized fabrication strategy that enables the formation of high-crystallinity oxide moiré superlattices with clean, chemically bonded interfaces and precisely controlled twist angles down to nominal values of 0.1°, achieving subdegree twist-angle accuracy across large contiguous lateral dimensions approaching the millimeter scale. Using NaNbO3 as a model system, we show that the resulting interlayer coupling drives pronounced structural reconstruction that modifies both the phase structure and ferroelectric domain configuration. Synchrotron-based X-ray 3D reciprocal space mapping reveals the emergence of a single-phase state in twisted bilayers, in contrast to the mixed-phase structure observed in single-layer membranes prior to twist assembly. The structural signatures are further consistent with gradual lattice rotation distributed along the thickness direction that may accommodate interfacial shear strain, distinct from reconstruction observed in van der Waals moiré systems which primarily occurs through in-plane stacking rearrangement. This collective lattice response is correlated with twist-dependent nanoscale electromechanical modulations observed by piezoresponse force microscopy. These results establish a scalable materials platform for oxide twistronics and support the implementation of twist-engineered functionalities in practical, macroscale device architectures.

Ghanbari, Reza [North Carolina State University (N↗
DOE OSTI2022

Neutronic Safety Analysis of Pu-238 Production at Idaho National Laboratory

This analysis was completed to support the irradiation of plutonium fuel services (PFS) targets in the NEFT in the Advanced Test Reactor (ATR) as a part of the campaign to restart domestic production of plutonium-238 used in radioisotope power systems (RPS) by the National Aeronautical and Space Administration (NASA) and Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Nuclear Infrastructure Program (NE-3). Referred to as the PFS-ATR-GEN1-NEFT experiment, the assembly was designed to hold 46 PFS targets in the NEFT. The scope of this paper is to outline the MOPY method used to calculate the heat generation rates (HGRs), flux, fission density, and quantify the viability of the target design for Pu-238 production in ATR.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Consistent $\overline{ν}$ evaluation for minor Pu isotopes with CGMF

This report follows up on the evaluation work done in 2023 where we developed a procedure and performed the first consistent evaluation of the average prompt neutron multiplicity for minor Pu isotopes, including 238,240-242 Pu, using CGMF. Details on the necessary updates to the release version of CGMF, the experimental data and experimental uncertainty quantification that went into the evaluation, and this first evaluation effort are documented in and will not be repeated in this report. Instead, we discuss here the further investigations into the CGMF model space to improve the evaluation results from FY23. Additionally, we note that these evaluation results have been transformed into the ENDF format for mean values and covariances, and validation with critical assemblies has been performed; that work is documented elsewhere. In this short report, we discuss the updated evaluation efforts performed during FY24 in Sec. 2, show results from CGMF for other prompt fission observables in Sec. 3, and then briefly conclude in Sec. 4.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Composite energy-absorbing assembly

An energy-absorbing assembly includes a housing and a plurality of discrete energy-absorbing elements. The housing includes a first wall and a second wall. The first wall and the second wall are spaced apart from one another to at least partially define an interior compartment. Each element of the plurality of energy-absorbing elements includes a polymer and a plurality of reinforcing fibers. The plurality of energy-absorbing elements is at least partially disposed within the interior compartment and fixed to the housing. Each energy-absorbing element of the plurality of energy-absorbing elements includes an elongated hollow structure extending between a first end and a second end. Each elongated hollow structure defines a longitudinal axis extending nonparallel to at least one of the first wall and the second wall. In various alternative aspects, each energy-absorbing element may include a transverse wall.

Rodgers, William R.↗
DOE OSTI2025

AI‐Accelerated Optimization of Self‐Assembled Organic Mixed Ionic‐Electronic Conductors (OMIEC) (Final Report)

This document describes research activities, products and outcomes of a DOE-funded program to help accelerate development of Organic Mixed Ionic Electronic Conductors (OMIECs) using neutron scattering and high-throughput experimentation. OMIECs are organic materials that conduct both ionic and electronic charge carriers. For these new OMIEC materials, self-assembling ion-conducting block copolymers (BCPs) are used as a structural template for electronic conducting polymers. This forms OMIECs with long-range structural order that can help facilitate long-range electronic transport. The conductive properties of OMIECs are closely associated with their structure, which is affected by solution conditions and polymer macromolecular designs. Thus high-throughput experimentation has been implemented to explore this large design space effectively. The BCP-CP OMIEC systems explored are composed of ion-conducting diblock or triblock copolymers containing polyethylene oxide (PEO), di(ethylene glycol) ethyl ether acrylate (DEGEEA) or poly(ethylene glycol) methyl ether acrylate) (PEGMEA) hydrophilic blocks. These blocks will be coupled with either polypropylene oxide (PPO) or polyheptafluorobutyl acrylate (PHFBA) hydrophobic blocks to drive assembly. The electronic conducting component consists of several different types of conjugated polymers. Small angle scattering of neutrons and X-rays (SANS/SAXS) as well as electrochemical analysis have been coupled with modern algorithms for autonomous research using artificial intelligence (AI).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Matrix-free preconditioning for high-order H (curl) discretizations

The greater arithmetic intensity of high-order finite element discretizations makes them attractive for implementation on next-generation hardware, but assembly of high-order finite element operators as matrices is prohibitively expensive. As a result, the development of general algebraic solvers for such operators has been an open research challenge. Fast matrix-free application of high-order operators has received significant attention in the literature in the context of Poisson-type problems, but preconditioners and solvers for inverting more general operators are not very well-developed. In this paper, we consider the problem of preconditioning a definite Maxwell operator at high polynomial order without assembling a matrix. We show that given efficient preconditioners for high-order H 1 finite element problems on the same mesh, efficient H(curl) preconditioners can be constructed in an auxiliary space framework. We demonstrate the resulting preconditioners in a practical setting with tensor-product basis functions on an unstructured mesh of quadrilaterals. Overall, our approach uses a sparsified H 1 solver constructed on a low-order mesh of the nodal points of the underlying high-order space, and we show that the resulting H(curl) preconditioner is effective at very high polynomial orders for two-dimensional model problems with complicated geometry, varying piecewise constant coefficients, and curved elements. The resulting preconditioner scales with nearly optimal O(p d+1 ) floating point operation count and optimal O(p d ) memory transfer requirements, outperforming existing Maxwell preconditioners in the high-order regime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Self-assembly of a triply periodic continuous mesophase with Fddd symmetry in simple one-component liquids

Triply periodic continuous morphologies (networks) arising as a result of the microphase separation in block copolymer melts have so far never been observed self-assembled in systems of particles with spherically symmetric interaction. Here, we report a molecular dynamics simulation where two simple one-component liquids form upon cooling an equilibrium network with the Fddd space group symmetry. This complexity reduction in the liquid network formation in terms of the particle geometry and the number of components evidences the generic nature of this class of phase transition suggesting opportunities for producing these structures in a variety of new systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

SCONCE : a cosmic web finder for spherical and conic geometries

The latticework structure known as the cosmic web provides a valuable insight into the assembly history of large-scale structures. Despite the variety of methods to identify the cosmic web structures, they mostly rely on the assumption that galaxies are embedded in a Euclidean geometric space. Here, we present a novel cosmic web identifier called SCONCE (Spherical and CONic Cosmic wEb finder) that inherently considers the 2D (RA, DEC) spherical or the 3D (RA, DEC, z) conic geometry. The proposed algorithms in sconce generalize the well-known subspace constrained mean shift (SCMS) method and primarily address the predominant filament detection problem. They are intrinsic to the spherical/conic geometry and invariant to data rotations. We further test the efficacy of our method with an artificial cross-shaped filament example and apply it to the SDSS galaxy catalogue, revealing that the 2D spherical version of our algorithms is robust even in regions of high declination. Finally, using N-body simulations from Illustris, we show that the 3D conic version of our algorithms is more robust in detecting filaments than the standard SCMS method under the redshift distortions caused by the peculiar velocities of haloes. Our cosmic web finder is packaged in python as SCONCE-SCMS and has been made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Mitigating the Effects of Au-Al Intermetallic Compounds Due to High-Temperature Processing of Surface-Electrode Ion Traps

Stringent physical requirements need to be met for the high-performing surface-electrode ion traps used in quantum computing and timekeeping. In particular, these traps must survive a high-temperature environment for vacuum chamber preparation and support high RF voltage on closely spaced electrodes. Due to the use of gold wire bonds on aluminum pads, intermetallic growth can lead to wire bond failure via breakage or high resistance, limiting the lifetime of a trap assembly to a single multiday bake at 200 ° C. Using traditional thick metal stacks to prevent intermetallic growth, however, can result in trap failure due to RF breakdown events. Through high-temperature experiments, we conclude that an ideal metal stack for ion traps is Ti/Pt/Au (20/100/250 nm), which allows for a cumulative bakeable time of roughly 86 days without compromising the trap voltage performance. This increase in the bakeable lifetime of ion traps will remove the need to discard otherwise functional ion traps when vacuum hardware is upgraded, which will greatly benefit ion trap experiments.

Haltli, Raymond A.↗
DOE OSTI2024

GAINN: The Galaxy Assembly and Interaction Neural Networks for High-redshift JWST Observations

We present the Galaxy Assembly and Interaction Neural Networks (Gainn), a series of artificial neural networks for predicting the redshift, stellar mass, halo mass, and mass-weighted age of simulated galaxies based on James Webb Space Telescope (JWST) photometry. Our goal is to determine the best neural network for predicting these variables at 11 < z < 15. The parameters of the optimal neural network can then be used to estimate these variables for real, observed galaxies. The inputs of the neural networks are JWST filter magnitudes of a subset of five broadband filters (F150W, F200W, F277W, F356W, and F444W) and two medium-band filters (F162M and F182M). We compare the performance of the neural networks using different combinations of these filters, as well as different activation functions and numbers of layers. The best neural network predicted redshift with a normalized rms error of $0.010^{+0.003}_{-0.001}$, stellar mass with rms = $0.089^{+0.044}_{-0.022}$, halo mass with a mean-squared error of $0.022^{+0.014}_{-0.008}$, and mass-weighted age with rms = $12.466^{+5.065}_{-2.408}$. We also test the performance of Gainn on real data from MACS0647JD, an object observed by JWST. Predictions from Gainn for the first projection of the object (JD1) have normalized bias $\langle$Δz$\rangle$ < 0.00228, which is significantly smaller than found with template-fitting methods. We find that the optimal filter combination is F277W, F356W, F162M, and F200W when considering both theoretical accuracy and observational resources from JWST.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Long-Length SiC/SiC Tube Irradiation Experiment at LWR Temperatures Inserted into HFIR

This report describes the pre-irradiation characterization and successful assembly of a High Flux Isotope Reactor (HFIR) irradiation experiment designed to assess radiation-induced lateral bowing of silicon carbide fiber–reinforced, silicon carbide matrix composite (SiC/SiC) components under a radial fast neutron flux gradient at representative light-water reactor (LWR) temperatures of approximately 300 °C. The over-arching goal of this work is to validate thermomechanical models of SiC/SiC composite fuel assembly distortion used to predict the extent of lateral bowing and dose at which bowing reaches a maximum value. Ultimately, these models are used to ensure that fuel assembly distortion does not block coolant channels, interfere with control rod/blade movements, and/or impact local reactivity. The experiment contains six cladding tube specimens that are approximately 558.5 mm long with representative pressurized water reactor (PWR) outer and inner diameters of 9.5 mm and 7.5 mm, respectively. The specimens were thoroughly characterized prior to irradiation using traditional dimensional inspection and surface profilometry so that these measurements can later be compared with similar measurements that will be made post-irradiation to determine radiation-induced deformations. Furthermore, fine engraving markers were inscribed along the outer surfaces of the specimen and mapped using analytic photography and a three-dimensional stage. This technique allowed for accurate measurements of the marker spacings, which can be compared with similar measurements that will be made post-irradiation to provide local radiation-induced strain mapping. A light curtain optical micrometer was also employed to measure the pre-irradiation bowing of each specimen. The experiment was successfully assembled and inserted into position VXF-19 for HFIR cycle 516, which began May 12, 2026. The experiment will be removed after cycle 519, which is currently scheduled to end in December 2026.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Laser Welded Burst Disk Weld Tooling

A production run of 5550 hermetically sealed cylinder assemblies with precision pressure relief burst discs will be assembled and laser welded at a manufacturing lab at Sandia National Labs. Production of these cylinder assemblies requires many steps, including piece part machining, geometric inspection, cleaning, subassembly, complete assembly via laser welding, and finally leak checking. While this production run is large enough to invest in process optimization and specialized tooling, it is not quite large enough to dedicate new lab space and specify equipment specifically for this job. This study will investigate process parameters and their effects on quality and process flow time, as well as a fixturing design study with the goal of reducing process time while maintaining quality requirements.

42 ENGINEERING↗
DOE OSTI2022

237 Np Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic Electron Correlation in Heavy Element Complexes

A large set of neptunium compounds with different oxidation states (III to VII) was assembled to study the Mössbauer isomer shift by wave function calculations and better understand covalency in f-elements complexes. The contact density approach was used to calculate the isomer shift using complete active space self-consistent field (CASSCF) multiconfiguration wave functions, as well as matrix product states [from Density Matrix Renormalization Group (DMRG) algorithms] for large active spaces. Dynamic correlation effects for the isomer shifts were treated via CASPT2 energy derivatives with respect to the nuclear radius. The CASSCF calculations appear to produce different orbital overlocalization errors for low and high Np oxidation states. For compounds with low Np oxidation numbers, the errors can be attributed to the overlocalization of the 5f orbitals. For the compounds with high Np oxidation numbers, the main errors arise from an overlocalization of ligand orbitals and concomitant to weak donation bonding. Attempts to mitigate the overlocalization errors with large active spaces using DMRG were only partially successful, showing that explicit treatment of dynamic correlation is necessary for accurate predictions of Mössbauer isomer shifts. The CASPT2 calculations perform very satisfactorily. For a subset of Np compounds, both static and dynamic correlation effects were substantial. Furthermore, a rational active space selection based on orbital entanglement diagrams proved beneficial for determining the optimal reference wave function.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Proceedings of the Workshop for Applied Nuclear Data Activities WANDA 2022

On February 28 – March 4, 2022, the Nuclear Data Interagency Working Group (NDIAWG) hosted the 5-day virtual Workshop for Applied Nuclear Data (WANDA2022) to facilitate interagency collaboration on nuclear data for applications. This year’s focus was nuclear data for space applications, but also included photon reactions and transport, reactions on unstable nuclei, and data adjustment topics. The annual WANDA workshops are planned by the Nuclear Data Working Group (NDWG) with the goal of assembling users and producers of nuclear data to provide input to identify and prioritize nuclear data needs and to suggest solutions to address those needs. The workshop consisted of talks by agency program managers, six topic focused road mapping sessions and a review of NDIAWG-funded projects. More than 350 attendees represented national laboratories, universities, and federal agencies, as well as international organizations and industry. The proceedings presented herein summarize the workshop’s content, highlight important outcomes, and document attendees’ recommendations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

X-Ray Imaging and Spectroscopy Mission

The X-Ray Imaging and Spectroscopy Mission (XRISM) is a joint mission between the Japan Aerospace Exploration Agency (JAXA) and the National Aeronautics and Space Administration (NASA) in collaboration with the European Space Agency (ESA). In addition to the three space agencies, universities and research institutes from Japan, North America, and Europe have joined to contribute to developing satellite and onboard instruments, data-processing software, and the scientific observation program. XRISM is the successor to the ASTRO-H (Hitomi) mission, which ended prematurely in 2016. Its primary science goal is to examine astrophysical problems with precise, high-resolution X-ray spectroscopy. XRISM promises to discover new horizons in X-ray astronomy. It carries a 6 × 6 pixelized X-ray microcalorimeter on the focal plane of an X-ray mirror assembly (Resolve) and a co-aligned X-ray CCD camera (Xtend) that covers the same energy band over a large field of view. XRISM utilizes the Hitomi heritage, but all designs were reviewed. The attitude and orbit control system was improved in hardware and software. The spacecraft was launched from the JAXA Tanegashima Space Center on 2023 September 6 (UTC). During the in-orbit commissioning phase, the onboard components were activated. Although the gate valve protecting the Resolve sensor with a thin beryllium X-ray entrance window was not yet opened, scientific observation started in 2024 February with the planned performance verification observation program. The nominal observation program commenced with the following guest observation program beginning in 2024 September.

Astronomy and AstroPhysics↗
DOE OSTI2025

An Analysis of Input Parameters for Film-Based Flash X-Ray Radiography

Flash X-ray radiography (flash) is a commonly used diagnostic technique in dynamic experiments. An analysis of the effects of input parameters on resulting metrics of image quality can aid the experimentalist in configuring the X-ray input parameters to produce the highest quality radiograph for a given experiment. Here, a flash X-ray test bed with HS800 film and a LANEX Medium F intensifier screen was used with an L3 450 kVp pulser and Scandiflash X-ray tube for this study. Input parameters including charge voltage, source filtering, and film-pack assembly were investigated for their impact on contrast-to-noise ratio (CNR), contrast, and contrast transfer function (CTF). Using VIDAR’s NDT Pro industrial film digitizer, scanner parameters such as optical density range, pixel spacing, scan mode, and digital bit-depth were also examined for their impact on image quality metrics. The highest CNR values were found with two LANEX intensifiers and no filtering. Charge voltage had no direct impact on CNR values. LANEX screen count and filtering resulted both in direct effects on CNR and interaction effects with each other and CNR value. Uncertainty bounds for CNR comparisons and repeatability of CTF evaluations are also discussed. Finally, the film results are compared with a previous study using other detector types, specifically Carestream INDUSTREX Flex GP, Flex HR, Flex XL Blue, and HPX-DR 3543.

dynamic radiography↗
DOE OSTI2020

The effect of chemically preintercalated alkali ions on the structure of layered titanates and their electrochemistry in aqueous energy storage systems

We introduce a novel chemical preintercalation synthesis technique based on a hydrogen peroxide induced sol–gel process to obtain alkali ion containing ternary layered titanates (MTO, where M = Li, Na, K). Synthesis parameters leading to the formation of single-phase materials with homogeneous elemental distribution are reported for each of the preintercalated ions. Our analyses indicate that the interlayer spacing in the structure of the layered titanates increases with the increase of the radius of the hydrated preintercalated ion. Scanning and transmission electron microscopy imaging revealed morphological diversity: the LTO phase crystallized as nanoplates assembled in “peony-like” spherical agglomerates while NTO and KTO particles exhibited a one-dimensional nanobelt or wire-like morphology, with the KTO nanobelts being shorter and more aggregated than the NTO nanobelts. Structural refinement corroborated by electron diffraction and high-resolution transmission electron microscopy revealed that the structure of the LTO phase is built by stacking Ti–O layers containing a single straight layer of connected TiO 6 octahedra. The layers in NTO and KTO structures form differently and consist of double Ti–O layers with two titanium rows and ragged arrangement of units built by TiO6 octahedra. The NTO electrodes exhibited the highest electrochemical performance in cells with aqueous 1 M Na 2 SO 4 electrolyte, followed by the KTO electrodes and then LTO electrodes, and this trend is maintained at various scan rates. The established relationships between the structure and electrochemical performance reveal that, in addition to interlayer distance and chemistry of the interlayer region, the structure of the layers can play an important role in charge storage properties of layered oxide electrodes. The double Ti–O layers in the structure of NTO and KTO phases provide a larger number of redox centers which could contribute to the superior electrochemical performance as compared to the LTO electrodes. Our findings indicate that layered materials containing double transition metal oxide layers are promising candidates for exfoliation and assembly with electronically conductive layers with the aim to create 2D heterostructures with high electrochemical performance.

25 ENERGY STORAGE↗