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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 973 records · Page 54

Method used in Tokunaga, T. et al. 2018 for simulating time- and depth- dependent temperature variations in soil and sediment in Rifle, Colorado, 2013-2016.

This data package contains temperature, moisture content, matric potential, and carbon dioxide (CO2) concentration data from the Rifle, Colorado field site and from a 2 meter tall laboratory soil/sediment column designed to simulate field conditions. In addition, redox potential data from the laboratory column are included. The purpose of the data and paper is to demonstrate how a laboratory column was constructed to reproduce the dynamics of nonisothermal conditions in the field, such that CO2 production above a variable-depth water table can be studied in the laboratory. The data package contains 3 data files corresponding to the figures in the related paper (Tokunaga, T. et al. 2018) and 1 README file with the paper information.

54 ENVIRONMENTAL SCIENCES↗

Data for Kim et al., "Variations in the optical and molecular composition of dissolved organic matter exported from coastal wetlands"

Knowledge about sources and composition of marsh-derived dissolved organic matter (DOM) is critical for understanding the role of marshes in coastal biogeochemical cycling and the fate of marsh-derived DOM in the ocean. To investigate tidal variability in composition of marsh-derived DOM, Kim et al. examined the optical and molecular characteristics of hourly surface water samples at three tidal creeks in the Chesapeake Bay. Groundwater samples along the terrestrial landscape gradient as well as estuarine water from the adjacent estuary at each site were also collected to help resolve sources of surface water DOM. Samples were collected in summer 2024 at three sites – SWH: Sweet Hall Marsh, GCW: Kirkpatrick Marsh, and GWI: Goodwin Islands – which are part of synoptic sites in the Chesapeake Bay region of the COMPASS-FME (Coastal Observations, Mechanisms, and Predictions Across Systems and Scales - Field, Measurements, and Experiments) project. Surface water samples were collected hourly over a 48-hour period at each site. Groundwater and estuarine water samples were collected once. This dataset includes- Surface water depth and salinity- Dissolved organic carbon (DOC) and total dissolved nitrogen (TDN) concentrations- Optical indices and relative composition of parallel factor analysis (PARAFAC) components- High resolution mass spectrometry data.

54 ENVIRONMENTAL SCIENCES↗

Diffusion-mediated chemical concentration variation and void evolution in ion-irradiated NiCoFeCr high-entropy alloy

High-entropy alloys (HEAs) are proposed as potential structural materials for advanced nuclear systems, but little is known about the response of matrix chemistry in HEAs upon irradiation. Here, we reveal a substantial change of matrix chemical concentration as a function of irradiation damage (depth) in equiatomic NiCoFeCr HEA irradiated by 3 MeV Ni ions. After ion irradiation, the matrix contains more Fe/Cr in depth shallower than ~900–1000 nm but more Ni/Co from ~900–1000 nm to the end of the ion-damaged region due to the preferential diffusion of vacancies through Fe/Cr. Preferential diffusion also facilitates migration of vacancies from high radiation damage region to low radiation damage region, leading to no void formation below ~900–1000 nm and void formation around the end of the ion-damaged region at a fluence of 5 × 10 16 cm -2 (~123 dpa, displacements per atom, peak dose under full cascade mode). As voids grow significantly at an increased fluence (8 × 10 16 cm -2 , 196 dpa), the matrix concentration does not change dramatically due to new voids formed below ~900–1000 nm.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Diffusion-mediated chemical concentration variation and void evolution in ion-irradiated NiCoFeCr high-entropy alloy

High-entropy alloys (HEAs) are proposed as potential structural materials for advanced nuclear systems, but little is known about the response of matrix chemistry in HEAs upon irradiation. Here, we reveal a substantial change of matrix chemical concentration as a function of irradiation damage (depth) in equiatomic NiCoFeCr HEA irradiated by 3 MeV Ni ions. After ion irradiation, the matrix contains more Fe/Cr in depth shallower than ~900–1000 nm but more Ni/Co from ~900–1000 nm to the end of the ion-damaged region due to the preferential diffusion of vacancies through Fe/Cr. Preferential diffusion also facilitates migration of vacancies from high radiation damage region to low radiation damage region, leading to no void formation below ~900–1000 nm and void formation around the end of the ion-damaged region at a fluence of 5 × 10 16 cm –2 (~123 dpa, displacements per atom, peak dose under full cascade mode). As voids grow significantly at an increased fluence (8 × 10 16 cm –2 , 196 dpa), the matrix concentration does not change dramatically due to new voids formed below ~900–1000 nm.

36 MATERIALS SCIENCE↗

Along-Trajectory Acoustic Signal Variations Observed During the Hypersonic Re-Entry of the OSIRIS-REx Sample Return Capsule

The re-entry of the Origins, Spectral Interpretation, Resource Identification, and Security-Regolith Explorer (OSIRIS-REx) sample return capsule (SRC) on 24 September 2023 presented a rare opportunity to study atmospheric entry dynamics through a dense network of ground-based infrasound sensors. As the first interplanetary capsule to re-enter over the United States since Stardust in 2006, this event allowed for unprecedented observations of infrasound signals generated during hypersonic descent. We deployed 39 single-sensor stations across Nevada and Utah, strategically distributed to capture signals from distinct trajectory points. Infrasound data were analyzed to examine how signal amplitude and period vary with altitude and propagation path for a nonablating hypersonic object with well-defined physical and aerodynamic properties. Raytracing simulations incorporated atmospheric specifications from the ground-2-space model to estimate source altitudes for observed signals. Results confirmed ballistic arrivals at all stations, with source altitudes ranging from 44 to 62 km along the trajectory. Signal period and amplitude exhibited strong dependence on source altitude, with higher altitudes corresponding to lower amplitudes, longer periods, and reduced high-frequency content. Regression analysis demonstrated strong correlations between signal characteristics and both altitude and propagation geometry. Our results suggest, when attenuation is considered, the amplitude is primarily determined by the source, with the propagation path playing a secondary role over the distances examined. These findings emphasize the utility of controlled SRC re-entries for advancing our understanding of natural meteoroid dynamics, refining atmospheric entry models, and improving methodologies for planetary defense. The OSIRIS-REx SRC campaign represents the most comprehensive infrasound study of a hypersonic re-entry to date, showcasing the potential of coordinated geophysical observational networks for high-energy atmospheric phenomena, including space debris re-entries.

58 GEOSCIENCES↗

Reweighting Monte Carlo predictions and automated fragmentation variations in Pythia 8

This work reports on a method for uncertainty estimation in simulated collider-event predictions. The method is based on a Monte Carlo-veto algorithm, and extends previous work on uncertainty estimates in parton showers by including uncertainty estimates for the Lund string-fragmentation model. This method is advantageous from the perspective of simulation costs: a single ensemble of generated events can be reinterpreted as though it was obtained using a different set of input parameters, where each event now is accompanied with a corresponding weight. This allows for a robust exploration of the uncertainties arising from the choice of input model parameters, without the need to rerun full simulation pipelines for each input parameter choice. Such explorations are important when determining the sensitivities of precision physics measurements. Accompanying code is available at https://gitlab.com/uchep/mlhad-weights-validation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Effect of NO x and Water Variations on Iodine Loading of AgZ

Reprocessing of used nuclear fuel will result in the release of several volatile radionuclides that need to be removed from facility off-gas streams before their release to the environment. Iodine, one of these radionuclides, is expected to be primarily released in the dissolver off-gas stream as iodine (I 2 ) or methyl iodide (CH 3 I). Sorbents that target I 2 and CH 3 I removal from the DOG stream will need to adsorb iodine under elevated temperatures and in the presence of water vapor and nitrogen oxides (NO x ). Previous studies examining the adsorption of CH 3 I and I 2 in the presence of NO x gases by silver-exchanged mordenite (AgZ), a zeolite mineral considered for use in this application, have resulted in slightly inconsistent conclusions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High-frequency and Vertical Variations of Soil Moisture and their Impact on Ecosystem Dynamics

The vertical distribution of subsurface moisture is a major control on ecosystem dynamics and climate. The Mediterranean climate of California, with wet winters and dry summers, provides a testbed for understanding how transpiration is sustained through extended dry periods. The project developed and tested a new subsurface hydrology model that includes a parameterization of stochastic hydraulic conductivity to capture fracture flow, a diagnostic model of rooting profile that depends on the subsurface hydrology, and a representation of hydraulic redistribution by plant roots. A sensitivity study shows that it is plants with rooting depths >8 m that could access the subsurface moisture. The insight is applied to understand differential tree mortality during the 2012-2016 drought in California. The analysis shows that greater mortality trees on plutonic rocks than on sedimentary rocks. The study demonstrates, for the first time, the importance of lithology for the distribution and health of ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Variational calculation of closed-shell nuclei up to A=40 [Slides]

Compute ground state properties of closed-shell nuclei up to A = 40 with quantum Monte Carlo. Analyze the behavior of phenomenological Hamiltonians in medium-heavy nuclei. Study the high-momentum components of the nuclear wave function and potential in-medium modifications of the nucleon form factors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Geochemical Variation of Produced Waters and Overlying Groundwaters at an Active CO 2 Enhanced Oil Recovery Field in the Permian Basin Central Platform

This report discusses the results of baseline geochemical data from a carbon dioxide (CO 2 ) enhanced oil recovery (EOR) field in the Permian Basin’s Central Basin Platform. This report focuses on understanding the variability in geochemistry during normal oil field practices, including the transition from water flooding to a water-alternating-gas (WAG) technique. The primary objectives of this study were to focus on 1) determining the best general geochemical parameters to identify produced water intrusion into overlying groundwaters, 2) observing if there was any intrusion during the sampling period, and 3) identifying changes in produced water following CO 2 injection.

02 PETROLEUM↗

Assessing subtle variations in the actinyl oxo reactivity through characterization of neptunyl complexes. Final Report

Formation of the actinyl cation, [An(V,VI)O 2 ] n+ (n = 1,2), imparts unique chemical properties to the lighter actinide elements (U, Np, and Pu) that has yet to be fully understood. The axial O atoms (oxo) of the [An(VI)O 2 ] 2+ are considered weak Lewis bases that exhibit only meager interact with other metal cations and regarded as poor hydrogen acceptors for nearby water molecules. Oxo atoms of [An(V)O 2 ] + should engage in stronger bonding interactions due to a higher degree of Lewis basicity, but the actual interactions have yet to be fully explored. Intermolecular interactions can impact radionuclide separations, corrosion of spent fuel, and mobility of actinides in environmental systems; there is, therefore, a critical need to understand how the subtle difference in electronic properties of the An(V) and An(VI) metal center influence actinyl chemistry. The objective of this proposal was to determine the chemical components that influence the intermolecular interactions occurring between neptunyl ([Np(V)O 2 ] + and [Np(VI)O 2 ] 2+ ) cations and neighboring species. My overall hypothesis was that the intermolecular attraction that occurs between the neptunyl oxo atoms and neighboring species (H atoms, low-valent cations, actinyl cations) is primarily controlled by the electronic properties of the actinyl cation, but can be further influenced by the electron donating properties of the equatorial ligands. The hypothesis was tested through the following research objectives: (1) Determine the fundamental differences in H-bonding between Np(V)O 2+ and Np(VI)O 2 2+ and neighboring donor molecules; (2) Identify the major differences in bonding between low-valence metal cations and neptunyl oxo groups, and (3) Assess the impact of the equatorial ligand on the formation of cation-cation interactions within molecular species. Major outcomes of the research include: (1) More precisely identifying oxo interactions (actinyl-cation; actinyl-actinyl, actinyl-hydrogen) and the factors that impact the vibrational modes for actinyl cation; (2) Identification of H-bonding modes for the [An(V,VI)O 2 ] n+ (n = 1,2), with direct H-bonding interactions to the oxo group of the Np(V)O 2+ cation more prevalent than in hexavalent species and recognition of the importance of H-bonding networks, that can impart bond asymmetry and activation of vibrational modes with the actinyl moiety; (3) Delineation of the importance of charge density for engaging the cation-oxo interaction for both pentavalent and hexavalent species; (4) Determining the importance of sterics and ligand binding in formation of specific actinyl-actinyl interactions and the resulting vibrational modes associated with this bonding motify and (5) Understanding how the functionalization of the ligand can impact redox stability of neptunyl cations. Deliverables from this work include 11 peer-reviewed manuscripts and 13 (including six by graduate students) oral/poster presentations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗