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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 631 records · Page 35

Statistical Design of Experiments Enables Rapid Exploration of Perfluorobutane Sulfonate Degradation

The phase-out of long-chain PFAS has led to the proliferation of highly recalcitrant short-chain analogs, and mineralization technologies for these short-chain PFAS are needed to mitigate their deleterious effects on environmental and human health. In this study, we utilize a statistical design of experiments, specifically, response surface methodology, to rapidly evaluate the electrochemical degradation of the short-chain PFAS, perfluorobutane sulfonate (PFBS). We evaluate the impacts of the three primary electrochemical parameters (concentration of PFBS, concentration of supporting electrolyte, and applied current) over multiple orders of magnitude on the three primary reaction outcomes of electrochemical PFBS degradation (incomplete PFBS decomposition, complete PFBS mineralization as fluorine, and anodic energy consumption). Our results correspond with literature and clearly identify the well-known tradeoff between energy consumption and complete mineralization. Intriguingly, partial PFBS decomposition and energy consumption demonstrate nonlinear dependencies in the current/supporting electrolyte concentration space and the current/PFBS concentration space, respectively. These findings highlight the utility of the response surface methodology model to efficiently interrogate a large parameter space, identifying both common results and less-obvious interactions between electrochemical parameters and their influences on reaction outcomes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SANDWake3D

SAND2026-23958O SANDWake3D models atmospheric surface layers and turbine wakes using a 3D parabolic RANS solver. This Python-based tool uses an efficient method to simulate wakes, capturing complex wake behaviors such as wind shear, veer, and atmospheric stratification, naturally. It has been calibrated and validated against higher-fidelity large eddy simulations (LES), providing reliable results for wind energy and atmospheric research applications. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Custom NEON AOP reflectance mosaics and maps of shade masks, canopy water content

This mosaic of visible to shortwave infrared (VSWIR) data was derived from the assignable asset NEON AOP radiance data that was collected by LBNL’s Watershed Function SFA during the summer of 2018 (DOI: 10.15485/1617204). This atmospheric correction was completed to take into account site-specific terrain variability in the 334 km2 survey area centered around Crested Butte, CO. The atmospheric correction was completed using ACORN atmospheric correction software executed on 200 x 200 pixel kernels rather than line by line in order to capture local flight altitude conditions. Manual cloud delineation removed any small shaded areas that occurred within the data collection areas. Mosaics were developed based on preference for days that were in close timing proximity to the coincident ground campaign and with mosaicing criteria that minimized the angle between the sun and the sensor to retrieve the most consistent reflectance (min_phase_refl_tiled). Finally, we generated shade masks based on the geometry between the sun angle at time of flight, the ground surface, and the sensor. Here we provide the orthomosaiced estimated reflectance data (min_phase_refl_tiled.tif), canopy water content (wtrl), estimated atmospheric water vapor (wtrv), the observational data (obs) for this particular mosaic, the estimated visibility (vis), shade masks derived from the digital surface elevation model (shade) and the digital terrain model (shade_tch) added to the canopy height model (DOI: 10.15485/1617203), and a wavelength metadata file. Each image file is provided as a GeoTiff with internal tiling and LZW compression. These data can also be found on Google Earth Engine for extraction, download, and analysis of smaller extents (Google Earth Engine data is linked in external link table).

2018 NEON and 2025 CHESS Campaigns↗

BASS: An R Package for Fitting and Performing Sensitivity Analysis of Bayesian Adaptive Spline Surfaces

In this work, we present the R package BASS as a tool for nonparametric regression. The primary focus of the package is fitting fully Bayesian adaptive spline surface (BASS) models and performing global sensitivity analyses of these models. The BASS framework is similar to that of Bayesian multivariate adaptive regression splines (BMARS) from Denison, Mallick, and Smith (1998), but with many added features. The software is built to efficiently handle significant amounts of data with many continuous or categorical predictors and with functional response. Under our Bayesian framework, most priors are automatic but these can be modified by the user to focus on parsimony and the avoidance of overfitting. If directed to do so, the software uses parallel tempering to improve the reversible jump Markov chain Monte Carlo (RJMCMC) methods used to perform inference. We discuss the implementation of these features and present the performance of BASS in a number of analyses of simulated and real data.

97 MATHEMATICS AND COMPUTING↗

Control of the Plasma-Material Interface for Long Pulse Optimization in the Experimental Advanced Superconducting Tokamak (EAST) (Final Report)

This project involved a collaborative effort, led by Dr. Rajesh Maingi of Princeton Plasma Physics Laboratory, to understand and control the plasma-material interface to improve long pulse discharge control and performance in the EAST devices. The focus is on long pulse recycling control and optimization, which can be challenging because of their broad range of materials used for plasma-facing components (PFC) and wall conditioning techniques. The purpose of the EAST device is to demonstrate long-pulse, stable, high performance plasma operation, providing a test-bed for key physics and technology issues for next step devices. As part of these tests, EAST has deployed carbon for the lower divertor PFC, tungsten for the upper divertor, and molybdenum for the main wall. In addition wall coatings are deployed for long pulse recycling control: lithium (Li) via several delivery tools, boronization, and recently also siliconization; for example, in 2013, a layer of SiC was deposited on all of the graphite tiles. Oxygen is also present at trace levels, making for a complex mix of materials and plasma-materials interactions (PMI). This mix of materials and the limited durability of wall coatings, coupled to partially optimized cryo-pumping, lead to evolution of the recycling off the PFCs, which restricts the duration of stationary, high performance, long pulse discharges. Comparing the wall conditioning techniques, Li enables the highest energy confinement and lowest recycling for the longest duration, while also suppressing ELMs in certain discharges. More specifically, research activities at the University of Tennessee focused on heat flux profile measurements in EAST, modeling the surface response, including the bonding energetics and chemical interactions between Li with carbon, tungsten, hydrogen and impurities, in addition to post situ experimental characterization and analysis of the divertor plasma facing components in EAST. This final report describes the overall progress within each of these tasks at the University of Tennessee within the project.

36 MATERIALS SCIENCE↗

Hydrologic Evaluation of Smallmouth Bass Spawning Sites in the Upper Green River Using LiDAR

The smallmouth bass has been considered one of the most problematic invasive species in the upper Colorado River basin. As a predator of larval fish and juveniles, this nonnative species is an impediment to conservation efforts for endangered fish species of the Colorado River basin including Colorado pikeminnow (Ptychocheilus lucius), razorback sucker (Xyrauchen texanus), humpback chub (Gila cypha), and bonytail chub (Gila elegans). Several measures have been recommended to control smallmouth bass populations to conserve the endangered fish species. Among these measures are efforts to control flows during the spawning season to disrupt smallmouth bass reproduction. Previous work has suggested that smallmouth bass spawning in areas of the Green River could be inhibited during higher flows from the Flaming Gorge Dam due to lack of suitable habitat. Little research has been conducted to evaluate an optimal range of flow increases (“flow spikes”) needed to disrupt smallmouth bass reproduction in the Green River. Current research proposals to evaluate the effectiveness of flow spikes on controlling smallmouth bass reproduction target post-spawning flows of 4,500 cfs, maintained for three days, to inundate side-channel spawning habitats. In this report, we present results of a topographic study of smallmouth bass spawning sites in the upper Green River to characterize flow levels needed to inundate spawning habitats. This study used remotely sensed Light Detection and Ranging (LiDAR) data collected along the entire Green River, including channel margins and floodplain areas, to model water surface elevations and flow spikes needed to connect and inundate smallmouth bass spawning sites.

59 BASIC BIOLOGICAL SCIENCES↗

Non-Electrostatic Surface Complexation Database for GDSA

This progress report (Level 4 Milestone Number M4SF-21LL010301062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite International Collaborations Activity Number Activity SF-21LL010301061. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. The focus of this milestone is surface complexation model international collaborations. Specifically, we are developing a database framework for Spent Fuel and Waste and Science Technology (SFWST) that is aligned with the Helmholtz Zentrum Dresden Rossendorf (HZDR) sorption database development group in support of the database needs of the SFWST program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nuclear Global Talent Development Program (Final Report)

Lawrence Livermore National Laboratory (LLNL) have developed sorption database named as L-SCIE (LLNL Surface Complexation/Ion Exchange). This framework (L-SCIE) includes not only a community database of sorption data but also a fitting workflow to produce optimized surface complexation reaction constants. Through this fellowship program we have updated the L-SCIE database for selenium (Se) sorption and potentiometric titration data of iron oxides. In addition, the relevant surface complexation models (SCMs) have been updated and details in model construction are given in the following section.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Physics-based Induced Earthquake Forecasting: Process Understanding, and Hazards Mitigation

Disposal of saltwater co-produced with oil and gas is linked to elevated seismicity in the Central and Midwest US. There is a concern that these events may lead to widespread damage and an overall increase in seismicity. Thus an improved understanding of the spatially and temporally variable deformation and stress field associated with fluid injection operation is critically necessary for evaluating time-varying seismic hazards. Despite the improvements in seismic monitoring capacity and the resulting decrease in the magnitude detection threshold, estimates of induced earthquake probability remain elusive due to insufficient models incapable of accounting for the complex physics governing the process of induced seismicity. The proposed research effort will comprehensively analyze, integrate, and interpret geodetic, injection, and seismic data in the vicinity of the injection sites in Oklahoma to resolve the 4-dimensional distribution of pore pressure and stress in the shallow crust. This project, in particular, is focused on exploring the statistical relation between injection operation and increased earthquake hazard. The amplitude of and the extent to which pore pressure changes are determined by some factors, in particular, the hydrogeological properties of the rocks, such as diffusivity. Thus the available deformation data will be used to constrain hydrogeological properties of the medium, to accurately resolve the evolution of crustal stresses due to fluid injection. Having the time-varying models of stress changes, a statistical framework will be implemented to estimate the time-dependent probability of large earthquakes on the nearby fault systems. These data and models help to improve seismic hazard estimates and aid in constructing operational-induced earthquake forecast models. This information can also be integrated into the updated U.S. National Seismic Hazard Map, which local communities and authorities use in their earthquake risk estimates and mitigation efforts.

58 GEOSCIENCES↗

Competitive Adsorption of Ionic Liquids Versus Friction Modifier and Anti-Wear Additive at Solid/Lubricant Interface—Speciation with Vibrational Sum Frequency Generation Spectroscopy

A modern lubricant contains various additives with different functionalities and the interactions or reactions between these additives could induce synergistic or antagonistic effects in tribological performance. In this study, sum frequency generation (SFG) spectroscopy was used to investigate competitive adsorption of lubricant additives at a solid/base oil interface. A silica substrate was used as a model solid surface. The lubricant additives studied here included two oil-soluble ionic liquids (ILs, [N888H][DEHP] and [P8888][DEHP]), an antiwear additive (secondary ZDDP), an organic friction modifier (OFM), and a dispersant (PIBSI). Our results showed that for mixtures of ZDDP and IL in a base oil (PAO4), the silica surface is dominated by the IL molecules. In the cases of base oils containing OFM and IL, the silica/lubricant interface is dominated by OFM over [N888H][DEHP], while it is preferentially occupied by [P8888][DEHP] over OFM. The presence of PIBSI in the mixture of PAO4 and IL leads to the formation of a mixed surface layer at the silica surface with PIBSI as a major component. The SFG results in this investigation provide fundamental insights that are helpful to design the formulation of new lubricant additives of desired properties.

25 ENERGY STORAGE↗

Editorial for Special Issue “Environmentally Sound In Situ Recovery Mining of Uranium”

This Special Issue features seven articles that cover a range of topics pertaining to the environmentally sound in situ recovery mining of uranium (U ISR). The topics include: (1) methods for assessing the potential environmental impacts of future U ISR operations using historical operational records and available geohydrologic, geochemical and climate data in a specific regional setting; (2) laboratory column studies to parameterize a uranium surface complexation model that can be used to predict uranium fate and transport in groundwater; and (3) a field evaluation of both a chemical reductant and a biostimulant to promote reducing geochemical conditions after oxidative mining at a U ISR facility.

54 ENVIRONMENTAL SCIENCES↗

The Nature of LoBAL QSOs. II. HST/WFC3 Observations Reveal Host Galaxies Dominated by Mergers

Low-ionization broad absorption line QSOs (LoBALs) are suspected to be merging systems in which extreme, active galactic nucleus-driven outflows have been triggered. Whether or not LoBALs are uniquely associated with mergers, however, has yet to be established. To characterize the morphologies of LoBALs, we present the first high-resolution morphological analysis of a volume-limited sample of 22 Sloan Digital Sky Survey (SDSS)-selected LoBALs at 0.5 < z < 0.6 from Hubble Space Telescope Wide Field Camera 3 observations. Host galaxies are resolved in 86% of the systems in F125W, which is sensitive to old stellar populations, while only 18% are detected in F475W, which traces young, unobscured stellar populations. Signs of recent or ongoing tidal interaction are present in 45%–64% of the hosts, including double nuclei, tidal tails, bridges, plumes, shells, and extended debris. Ongoing interaction with a companion is apparent in 27%-41% of the LoBALs, with as much as 1/3 of the sample representing late-stage mergers at projected nuclear separations <10 kpc. Detailed surface brightness modeling indicates that 41% of the hosts are bulge dominated while only 18% are disks. We discuss trends in various properties as a function of merger stage and parametric morphology. Notably, mergers are associated with slower, dustier winds than those seen in undisturbed/unresolved hosts. Our results favor an evolutionary scenario in which quasar-level accretion during various merger stages is associated with the observed outflows in low-z LoBALs. We discuss differences between LoBALs and FeLoBALs and show that selection via the traditional balnicity index would have excluded all but one of the mergers.

Quasars↗

Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica

Here, we present a combined molecular dynamics (MD) simulation and X-ray absorption fine structure (XAFS) spectroscopic investigation of aqueous iron adsorption on nanoconfined amorphous silica surfaces. The simulation models examine the effects of pore size, pH (surface charge), iron valency, and counter-ion (chloride or hydroxide). The simulation methods were validated by comparing the coordination environment of adsorbed iron with coordination numbers and bond lengths derived from XAFS. In the MD models, nanoconfinement effects on local iron coordination were investigated by comparing results for unconfined silica surfaces and in confined domains within 2 nm, 4 nm, and 8 nm pores. Experimentally, coordination environments of iron adsorbed onto mesoporous silica with 4 nm and 8 nm pores at pH 7.5 were investigated. The effect of pH in the MD models was included by simulating Fe(II) adsorption onto negatively charged SiO 2 surfaces and Fe(III) adsorption on neutral surfaces. The simulation results show that iron adsorption depends significantly on silica surface charge, as expected based on electrostatic interactions. Adsorption on a negatively charged surface is an order of magnitude greater than on the neutral surface, and simulated surface coverages are consistent with experimental results. Pore size effects from the MD simulations were most notable in the adsorption of Fe(II) at deprotonated surface sites (SiO - ), but adsorption trends varied with concentration and aqueous Fe speciation. The coordination environment of adsorbed iron varied significantly with the type of anion. Considerable ion pairing with hydroxide anions led to the formation of oligomeric surface complexes and aqueous species, resulting in larger iron hydroxide clusters at higher surface loadings.

54 ENVIRONMENTAL SCIENCES↗