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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Identification of excited states in Bi 188 and Po 188

The neutron-deficient 188 Bi and 188 Po isotopes have been studied by γ-ray spectroscopy using the recoil-decay tagging technique with the Argonne Gas-Filled Analyzer. A new 0.25(5)-μs isomeric state and a prompt cascade formed by 319-, 366-, and 462-keV γ rays have been established on top of the (10¯) α -decaying isomer in 188 Bi. The first excited (2 + ) state in 188 Po was identified, its excitation energy of 242(2) keV continues the nearly constant trend for the first 2 + states in 190, 192,194 Po. Here, the state is most likely a member of a prolate rotational band built on the ground state, albeit mixing with other coexisting configurations cannot be excluded. The new results obtained in the present work provide new information to shape coexistence in bismuth and polonium isotopes near the neutron midshell at N = 104 . In this mass region, a reduction in the prompt γ-ray yield obtained with recoil decay tagging was observed for a few nuclides, and the possible reasons are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Rolling Behavior of Surface Tagged Aluminum 6061 using Photoluminescent Oxides

Physical tagging of nuclear fuel is potentially one way of tracking throughout the fuel lifecycle. The process of tagging can take many forms, but one promising method is to embed a small amount of photoluminescent particles in the surface of a material which are not detectable under normal illumination but are readily visible under excitation by ultraviolet light. The goal of this project was to explore the potential to tag simulated nuclear fuel cladding with small ceramic particles, via laser beam welding or gas tungsten arc welding, and measure the photoluminescent response. Surface tagging using this method has demonstrated viability and detectability throughout this project; work in FY24 focused on the survivability of these tags through subsequent deformation processing similar to what taggants in a fuel manufacturing environment would be subjected to. This work demonstrated that particles are readily visible in the as-welded state (i.e., before subsequent rolling treatment to represent mechanical processing of a fuel material), but visibility is reduced as the deformation is induced. Despite the reduction in photoluminescence, the taggants are still visible after rolling processes are performed, making this surface tagging technique a promising candidate for nuclear fuel cladding tagging. This work demonstrated, though, that targeted optimization work would be necessary to develop a robust taggant depending on the fidelity and luminescent properties required.

36 MATERIALS SCIENCE↗
DOE OSTI2022

First observation of a shape isomer and a low-lying strongly-coupled prolate band in neutron-deficient semi-magic 187 Pb

Prompt and delayed gamma-ray spectroscopy of the neutron-deficient, semi-magic isotope 187Pb has been performed using the recoil-decay and isomer-decay tagging techniques at the Argonne Gas-Filled Analyzer. A new 5.15(15)-mu s isomeric state at only 308 keV above the spherical 3/2 - ground state is identified and classified as a shape isomer. A strongly-coupled band is observed on top of the isomer, which is nearly identical to the one built on the prolate 7/2 - [514] Nilsson state in the isotone 185 Hg. Based on this similarity and on the result of the potential-energy surface calculations, the new isomer in 187 Pb is proposed to originate from the same configuration. The retarded character of the 308-keV (7/2( - )→ 3/2$_{gs}^{-}$ transition with a deduced B(E2) = 5.6(2) x 10 -4 W.u. can be well explained by the significant difference between the prolate parent and spherical daughter configurations, leading to the shape isomerism. The excitation energy of the isomer is surprisingly low, being roughly half of the excitation energies of the known 0 + intruder bandheads in the neighboring 186,188 Pb isotopes. The combined results of the present work and the previous alpha-decay and laser spectroscopy studies present evidence for triple shape coexistence at low energy in the negative-parity configurations of 187 Pb, which is well reproduced by the potential-energy surface calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

A search for noble-gas evidence for presolar oxide grains

Early results from an ongoing search for isotopically distinctive noble gases as evidence for presolar oxide grains are presented. With some qualifications, we do not see such evidence in spinel rich acid residue fractions from the Allende meteorite. We remain hopeful that less abundant mineral separates may yet be fruitful. Presolar grains, micro-diamonds, silicon carbide, and graphite, were found in primitive meteorites. While the abundances of these three refractory C rich grains are low, a few hundred ppm, a few ppm, & less than 1 ppm, respectively in primitive meteorites, they are tagged with high concentrations of isotopically anomalous noble gas components, Xe-HL, KR & Xe-s and Ne-E(H), and Ne-E(L). These tags have served as tracers and allowed the development of techniques for their purification and eventual identification. One might expect similar amounts of refractory presolar oxides to have survived, but so far only three cases exist for their identification. The first two cases are individual corundum oxide grains. Huss et al. found one such grain from an Orgueil residue with an Al-26/Al-27 ratio of 8.9 x 10(exp -5), about 18 times higher than the canonical initial solar system value. The second corundum grain, from Murchison, was found by Nittler et al. to have unusual oxygen in addition to a similar Al-26/Al-27 ratio of 8.7 x 10(exp -4). The oxygen was depleted in O-18 by 22 percent and enriched in O-17 by a factor of 2. The third case is a measurement by Zinner et al. on an aggregate of fine grained spinels from a Murray residue with an O-17 enrichment and a possible O-18 depletion similar to the second grain, but much subdued. This is consistent with a few such presolar grains diluted by a much larger population of isotopically normal corundum grains and an even larger number of normal spinel grains.

Lewis, Roy S.↗
DOE OSTI2021

Demonstration of Selective Single-Barium Ion Detection with Dry Diazacrown Ether Naphthalimide Turn-on Chemosensors

Single-molecule fluorescence imaging (SMFI) of gas-phase ions has been proposed for “barium tagging,” a burgeoning area of research in particle physics to detect individual barium daughter ions. This has potential to significantly enhance the sensitivity of searches for neutrinoless double-beta decay (0νββ) that is obscured by background radiation events. The chemistry required to make such sensitive detection of Ba 2+ by SMFI in dry Xe gas at solid interfaces has implications for solid-phase detection methods but has not been demonstrated. Here, we synthesized simple, robust, and effective Ba 2+ -selective chemosensors capable of function within ultrapure high-pressure 136 Xe gas. Turn-on fluorescent naphthalimide-(di)azacrown ether chemosensors were Ba 2+ -selective and achieved SMFI in a polyacrylamide matrix. Here, fluorescence and NMR experiments supported a photoinduced electron transfer mechanism for turn-on sensing. Ba 2+ selectivity was achieved with computational calculations correctly predicting the fluorescence responses of sensors to barium, mercury, and potassium ions. With these molecules, dry-phase single-Ba 2+ ion imaging with turn-on fluorescence was realized using an oil-free microscopy technique for the first time—a significant advance toward single-Ba 2+ ion detection within large volumes of 136 Xe, plausibly enabling a background-independent technique to search for the hypothetical process of 0νββ.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A Conceptual Design for a Mobile Application to Support Infield Inventory Activities

This paper introduces an inventory assistant being developed at Oak Ridge National Laboratory (ORNL) that we believe will empower users to perform inventory activities at nuclear facilities more accurately, reliably, and quickly. Inventory activities at nuclear facilities are often conducted using pen and paper, which can be time-consuming, tedious, and susceptible to reading or transcription errors. The proposed inventory assistant would replace the paper-based process used by International Atomic Energy Agency (IAEA) inspectors, nuclear facility operators, or verification monitors to complete an inventory of nuclear and non-nuclear items. In general, the inventory assistant would ingest an inventory list, distribute assigned items from the inventory list to one or more mobile devices, enable inventory teams to record their observations in the field, and then enable an inventory lead to integrate and reconcile the observations to produce a final report. The assistant consists of two software components—one for the inventory teams to record observations in the field (In-Field Observations App [IFOA]) and one for the inventory lead to reconcile the inventory list with observations (Distribution, Integration, and Reconciliation Application [DIRA]). This paper introduces the overall workflow of the inventory assistant and describes the IFOA user experience in more detail. To demonstrate the concept, the authors present a use case of IAEA inspectors conducting item counting and tag checking activities of UF6 cylinders at a gas centrifuge enrichment plant with a large number of UF6 cylinders (e.g., thousands). These activities can currently require 30–40 person-days of inspection to complete. Based on experiences during an exercised performed at the IAEA by the ORNL team in 2016, we believe an inventory assistant could allow the IAEA to complete item counting and tag checking using the global identifier or the operator’s barcode in 8–10 person-days of inspection. We would expect other users (e.g., facility operators or verification monitors) to also benefit from significant time savings.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

A Conceptual Design for a Desktop Application to Support Inventory Reconciliation Activities

This paper describes desktop software being developed at Oak Ridge National Laboratory (ORNL) to empower users to reconcile observations about items at nuclear facilities more accurately, reliably, and quickly. Inventory activities at nuclear facilities are often conducted using pen and paper, which can be time-consuming, tedious, and susceptible to reading or transcription errors. The proposed inventory assistant would be a replacement for the paper-based process that could be used by International Atomic Energy Agency (IAEA) inspectors, nuclear facility operators, or treaty verification monitors to conduct an inventory of nuclear and non-nuclear items in a more timely and accurate manner. Garner, McGirl, and Whitaker previously reported their work about a conceptual design for a mobile app to assist users in the field. In general, the inventory assistant would ingest an inventory list, distribute assigned items from the inventory list to one or more mobile devices, enable inventory teams to record their observations in the field, and then enable an inventory lead to integrate and reconcile the observations to produce a final report. The assistant consists of two software components - one for the inventory teams to record observations in the field (In-Field Observations App [IFOA]) and one for the inventory lead to (1) distribute the inventory list to each team, (2) integrate the observations from each team, and (3) reconcile the inventory list with observations (Distribution, Integration, and Reconciliation Application [DIRA]). This paper reviews the inventory assistant workflow and describes the DIRA user experience in more detail. As an example, the authors have chosen to follow the use case of IAEA inspectors conducting item counting and tag checking activities of UF 6 cylinders at a gas centrifuge enrichment plant with a large number of UF 6 cylinders (e.g., thousands). These activities can currently require 30 - 40 person-days of inspection to complete. The authors believe an inventory assistant could allow the IAEA to complete item counting and tag checking using the global identifier or the operator’s barcode in 8 - 10 person-days of inspection. We would expect other users (e.g., facility operators or treaty verification monitors) to also benefit from significant time savings.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Numerical Water Tracers in the Atmospheric Component of the Energy Exascale Earth System Model: Implementation and Changes in Moisture Origin

Numerical water tracers are implemented in the Energy Exascale Earth System Model version 2. Simulations performed with the water‐tag‐enabled model for both pre‐industrial and future greenhouse gas concentrations reveal a marked increase in the role of mid‐latitude and southern subtropical regions as exporters of atmospheric moisture—to the extratropical upper troposphere and the tropical free troposphere. For the latter, the northward shift of the Intertropical Convergence Zone increases cross‐hemispheric transport of subtropical water vapor to the Northern Hemisphere. In the polar regions, most of the lower tropospheric moistening instead arises from increases in local evaporation. These findings illustrate the utility of the water tags, underscore critical changes in global hydrologic cycle, and provide insight into atmospheric dynamics under future climate scenarios. For applications when a global grid is desired, we additionally propose a novel statistical reconstruction, based on copula modeling, of the joint distribution of origin of water vapor, which reduces the number of tracers from order $\mathcal{O}\left({n}^{2}\right)$to order $\mathcal{O}(n)$, substantially ameliorating the considerable computational cost of water tracers. This statistical reconstruction is particularly beneficial to the interpretation of the relationship between latitude and longitude of origin of moisture over the tropical oceans and in the lower troposphere over land.

copula modeling↗
DOE OSTI2024

Development of a new CEDAR for kaon identification at the NA62 experiment at CERN

The NA62 experiment at CERN utilises a differential Cherenkov counter with achromatic ring focus (CEDAR) for tagging kaons within an unseparated monochromatic beam of charged hadrons. The CEDAR-H detector was developed to minimise the amount of material in the path of the beam by using hydrogen gas as the radiator medium. The detector was shown to satisfy the kaon tagging requirements in a test-beam before installation and commissioning at the experiment. The CEDAR-H performance was measured using NA62 data collected in 2023.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

A compact dication source for Ba 2+ tagging and heavy metal ion sensor development

Here, we present a tunable metal ion beam that delivers controllable ion currents in the picoamp range for testing of dry-phase ion sensors. Ion beams are formed by sequential atomic evaporation and single or multiple electron impact ionization, followed by acceleration into a sensing region. Controllability of the ionic charge state is achieved through tuning of electrode potentials that influence the retention time in the ionization region. Barium, lead, and cadmium samples have been used to test the system, with ion currents identified and quantified using a quadrupole mass analyzer. Realization of a clean Ba 2+ ion beam within a bench-top system represents an important technical advance toward the development and characterization of barium tagging systems for neutrinoless double beta decay searches in xenon gas. This system also provides a testbed for investigation of novel ion sensing methodologies for environmental assay applications, with dication beams of Pb 2+ and Cd 2+ also demonstrated for this purpose.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Cryogenic Vibrational Spectroscopy of the Deprotonated Dimer of Phosphoric Acid

Phosphate-containing molecules are ubiquitous in nature, where they play crucial roles in biochemical processes. Further, they are of technical importance, for example, in certain batteries and in fuel cells, where a unique property of phosphoric acid is exploited its exceptionally high proton conductivity. Proton transport in phosphoric acid is known to involve proton shuttling; however, the elementary steps involved are not clear. To elucidate the hydrogen bonding preferences of phosphoric acid, we investigate the dihydrogen phosphate anion as well as the deprotonated dimer of phosphoric acid (H 3 PO 4 ·H 2 PO 4 − ) in the gas phase using infrared action spectroscopy in helium nanodroplets and infrared D 2 -tagging photodissociation spectroscopy, and the experimental spectra are compared to theoretical ones. Theory finds for H 3 PO 4 ·H 2 PO 4 − two different structures that are predicted to be nearly isoenergetic. The comparison to the experimental spectra, however, allows for a clear assignment and structure identification. The resulting structure has an interesting binding motif, which might be of relevance to interactions of phosphoric acid in the condensed phase and which can serve as a benchmark for quantum chemical calculations.

Chemical structure↗
DOE OSTI2024

Design, construction, and performance of the GEM based radial time projection chamber for the BONuS12 experiment with CLAS12

Here, a new radial time projection chamber based on Gas Electron Multiplier amplification layers was developed for the BONuS12 experiment in Hall B at Jefferson Lab. This device represents a significant evolutionary development over similar devices constructed for previous experiments, including cylindrical amplification layers constructed from single continuous GEM foils with less than 1% dead area. Particular attention had been paid to producing excellent geometric uniformity of all electrodes, including the very thin metalized polyester film of the cylindrical cathode. This manuscript describes the design, construction, and performance of this new detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

FLEET velocimetry measurements in the ONR-UTA arc-jet wind tunnel

This manuscript presents and discusses the very first successful application of the Femtosecond Laser Electronic Excitation Tagging (FLEET) velocimetry technique in an arc-jet flow. Specifically, one-dimensional, quantitative, FLEET velocimetry data were obtained in the effort to characterize the 1.6 MW ONR-UTA arc-jet plasma wind tunnel, Leste, housed at the Aerodynamics Research Center of the University of Texas at Arlington. While the FLEET technique has been used in other types of high-speed wind tunnel facilities, application to flows with high background radiation, such as arc-jets, has never been demonstrated before this work. The high background emissions posed concerns on the feasibility of performing FLEET velocimetry measurements. However, this work demonstrates how these concerns were addressed and presents the first successful application of the FLEET technique in arc-jet flows. The FLEET emissions in the arc-jet plume were successfully imaged, and a significant spatio-temporal variation in the tag’s displacement was observed. For the selected operational condition in this study, the average measured gas velocity in the arc-jet plume was 1.78 km/s.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Multisite Field Evaluation of Oil Accumulation and Agronomic Performance in Grain and Sweet Sorghums Engineered for Lipid Hyperaccumulation

Oil sorghum (OS) has been developed by engineering grain (TX430) and sweet (Ramada) genetic backgrounds to accumulate triacylglycerols (TAG) in vegetative tissues as an energy-dense feedstock for sustainable aviation fuel (SAF) and other biofuels. This study evaluated two TX430 OS lines (TxHO-2, TxHO-3) and two Ramada OS lines (RmHO-1, RmHO-2) alongside wild-type (WT) lines in NE and IL over 2 years (2023–2024) to quantify genotype × environment effects on agronomic performance and TAG accumulation. Across four environments, TX430 OS lines showed average TAG concentrations of 15.0 g kg −1 in leaves and 12.8 g kg −1 in stems, approximately 19-fold higher than WT. Ramada OS lines accumulated 26.1 g kg −1 in leaves and 12.3 g kg −1 in stems, approximately 25-fold and 13-fold increases over WT, respectively. OS lines in TX430 exhibited an 18% reduction in biomass (8.4 vs. 9.9 Mg ha −1 for WT), while Ramada OS lines had similar WT biomass (18.3 vs. 19.9 Mg ha −1 for WT). Among TX430 OS lines, TxHO-2 achieved the highest TAG yield (190 kg ha −1 ), while RmHO-1 led the Ramada lines (335 kg ha −1 ) due to higher biomass and similar TAG concentration. Enhanced TAG accumulation increased N, P, and K removal in TX430 lines but not in Ramada lines. Structural carbohydrate and ash concentration were unaffected. Overall, results confirm vegetative lipid accumulation as a viable strategy for high-biomass sorghum, supporting its potential as a dual-purpose feedstock for SAF. Future work should focus on minimizing biomass yield penalties and improving nutrient use efficiency in oil sorghum systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Isomers and band assignments in the cryogenic vibrational spectrum of the binary complex between water and protonated formic acid using two color, IR–IR photobleaching and H/D isotopic substitution

Protonated formic acid (PFA) is purported to be the active species in the catalytic activation of condensation reactions at the acidic interface of microdroplets. Here, we investigate the fundamental interaction between PFA and water with cryogenic ion vibrational spectroscopy of the binary PFA–H 2 O complexes generated via electrospray ionization followed by buffer gas cooling to about 20 K. The patterns displayed by the isomer-specific IR spectra of D 2 -tagged PFA–H 2 O indicate that two distinct, non-interconverting rotamers are present at low temperatures based on the cis and trans structures of the HCO 2 $H$$^{+}_{2}$ core ion. Both of these occur with the water molecule attached to the OH that is in a cis-configuration relative to the CH group (denoted E), but differ in the E vs Z (cis vs trans relative to the CH group) orientation of the spectator OH. This assignment scheme corrects a previous theoretical analysis that invoked a scenario in which structures with E- and Z-bound water molecules interconvert at low (20 K) temperatures. Isomer-specific bands arising from the OH stretches and water bending modes are deconvoluted using isotopomer-specific spectroscopy of the complexes with partial H/D exchange. The dependence of the nominal shared proton OH stretch frequency on the deuteration of the tethered water confirms strong coupling between this mode and the water bending fundamental.

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

Isomer-specific, Cryogenic Ion Vibrational Spectroscopy Investigation of D2-and N2- Tagged, Protonated Formic Acid Complexes Using Two Color, IR-IR Photobleaching

Here we analyze cryogenic ion vibrational spectra of tagged protonated formic acid (PFA) with electronic structure and anharmonic vibrational calculations to establish the isomers generated by electrospray ionization (ESI) followed by buffer gas cooling to ~25 K. Two isomers are identified (the trans form (E,Z) and the cis form (E,E)) and generated in comparable abundance despite the fact that the calculated E,E structure lies 6.40 kJ mol-1 above the E,Z form. A large (~60 kJ mol-1) barrier separates them such that the E,E form can be kinetically trapped upon cooling in the ion trap. The anticooperativity between the H-bonds of the OH groups is explored by measuring the shift in the D2-bound OH fundamental when a second D2 is attached. Both isomers are observed in the N2-tagged counterparts, displaying the expected red-shifted OH bands. These results indicate that ESI generates both isomers and both must be considered when analyzing cluster spectra based on the PFA core ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Imaging Proportional X-ray Counter for HEAO

The HEAO-B Imaging Proportional Counter (IPC) is an X-ray imaging instrument designed for use in the High Energy Astronomy Observatory - Mission B (HEAO-B) X-ray Telescope. It measures the spatial location of individual X-ray photons by the risetime method and energy of photons by pulse height analysis. The IPC can locate photons in the energy range 0.2 to 4 keV to within 1 mm and provides 5 bits of energy level information. Each measured X-ray event is also time tagged with 7 bits of temporal data. The IPC also includes an in-flight-calibration source and uses a gas control system that maintains the counter gas density constant to an accuracy of 0.25 percent.

Humphrey, A.↗
DOE OSTI2024

Digital Twin for Chemical Science (DTCS) v0.01

Directly visualizing the trajectories of chemistry can unravel novel insights into the behavior of catalysts, gas phase reactions, photo-induced dynamics, and building blocks for quantum information processing. The ability of explicitly identifying, tracking, and tagging the exchange of matter, hence the annihilation and creation of new chemical species, can be best realized through a close coupling of theory and experiment. While the synchrotron-based characterization facilities propelled rapidly in its hardware, providing higher brightness, better resolution, and more precision, the software infrastructure is lagging. We developed DTCS (Digital Twin for Chemical Science) v.01, a central platform that faithfully mimics advanced instrumentations in Scientific User Facilities, by solving a variety of technical challenges in data acquisition, analysis, and model-driven interpretation. Rooted in physics and accelerated by AI, we validated this concept by direct comparison with precise experimental X-ray Photoelectron Spectroscopy (XPS) observations using a ubiquitous metal-water interfacial scenario, i.e., Ag/H2O as our main narrative. The DTCS v.01 input mirrors how the bench chemists work, with the output directly linked to the end station computer, thereby providing a user-friendly, knowledge-driven, and accessible user experience with mechanistic insights standardized in a way that are ready to be published, versioned, and transferred flexibly.

Qian, Jin↗