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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

New reference materials for trace-levels of actinide elements in plutonium

In this report two plutonium oxides were prepared as unique reference materials for measurement of actinide elements present as trace constituents. Each reference material unit is approximately 200 mg of PuO 2 powder in a quartz glass bottle. Characterized attributes of the oxides included mass fractions of plutonium, americium, neptunium, and uranium. Isotope-amount ratios were also determined for plutonium and uranium, but neptunium and americium were observed to be monoisotopic 237 Np and 241 Am. Measurements for characterization and verification of the attributes show that plutonium and trace actinides are homogeneous with the exception of limited heterogeneity for uranium, primarily observed for the 238 U isotope. Model purification ages calculated from measured americium and uranium attribute values are consistent with material histories and indicate that these impurities are predominantly due to the decay of plutonium isotopes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Processed Soil Respiration at the TRACE experimental Warming project, Aug 2015 - Sep 2017, Sabana, Luquillo, Puerto Rico

This data package contains processed measurements of soil carbon dioxide (CO₂) efflux collected using LI-COR LI-8100 soil respiration chambers at the Tropical Responses to Altered Climate Experiment (TRACE) located at the Sabana Field Research Station near Luquillo, Puerto Rico. The TRACE site is a mature, closed-canopy tropical wet forest within the Luquillo Experimental Forest. These data quantify soil surface CO₂ fluxes from both ambient (control) and experimentally warmed plots to evaluate how long-term soil warming affects belowground carbon cycling in tropical ecosystems. The data files include time-series tables of CO₂ flux (µmol CO₂ m⁻² s⁻¹), soil temperature (°C), and ancillary environmental variables, stored in comma-separated values (CSV) format and viewable with any text editor, spreadsheet, or statistical software (e.g., R, Python, Excel). Associated metadata describe plot identifiers, measurement intervals, and processing steps. These data were generated to address the research question: How does sustained soil warming influence soil respiration and carbon flux dynamics in tropical wet forests?

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Fungal mat growth and leaf colonization at the TRACE warming experiment, Mar - Aug 2024, Luquillo, Puerto Rico

This data package contains processed measurements on the growth of litter mat-forming fungi and the time to leaf colonization at the Tropical Responses to Altered Climate Experiment (TRACE). Located near the Sabana Field Research Station in Luquillo, Puerto Rico, the TRACE site is located in a mature, closed-canopy tropical rainforest within the Luquillo Experimental Forest (LEF). These data quantify fungal mat growth and the time to leaf colonization of fungi species Gymnopus johnstonii and Marasmius crinis-equi. The experiment was conducted in ambient (control) and experimentally warmed plots (4°C above ambient) during spring and summer periods to assess how litter mat-forming fungi respond to a range of environmental conditions of tropical wet forests. The data files include tables of relative fungal mat growth rates, time to leaf colonization, averages of soil temperature (°C), and number of dry days before leaf attachment. The data are stored in comma-separated values (CSV) format and viewable with any text editor, spreadsheet, or statistical software (e.g., R, Python, Excel). Associated metadata describe plot identifiers, measurement descriptions, and processing steps.

Agaric fungi↗
DOE OSTI2024

Batch Extraction Studies to Evaluate Trace Element Behavior in PUREX Conditions

The multilab Intentional Forensics Venture is working to identify which stable elements (i.e., taggants) at trace concentrations relative to U would persist throughout the nuclear fuel cycle in a voluntary fuel tagging scheme. A taggant would provide the nuclear forensics community with a “barcode” to help identify nuclear materials found outside of regulatory control. A portion of this project was focused on reprocessing effects and determining which, if any, elements would coextract with U(VI) in standard Pu–U reduction extraction (PUREX) conditions. Elements with a propensity to coextract could, in theory, be used as taggants from a PUREX perspective. Although retention is not a performance requirement, the taggant signature would need to partition predictably from the U stream after the PUREX process to maintain forensic utility. This report documents results from several batch extraction studies with numerous trace elements from HNO 3 (1.5–5 M), with and without U(VI), into 30% tri-n-butyl phosphate (TBP) in kerosene. Extraction and back-extraction tests were used to evaluate nearly 60 elements in surrogate conditions for PUREX, and distribution coefficients (i.e., D-values) for most species were <0.1, indicating few species are likely to co-extract with U through PUREX. Additional studies are needed to optimize sample volumes and dilutions to dial in these low D-values. The D-values (D) were determined for several of the more promising elements, including Re and Se. Ultimately, we conclude that only a limited number of the ~ 60 elements investigated are extractable in the U stream of PUREX, based on measured D values, meaning most candidate elemental taggants would likely be lost at this stage of the nuclear fuel cycle, even when considering a range of acid concentrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Templates for Risk Informed Assurance with Curvature Embeddings (TRACE)

We investigate recovery of geometric structure from networks embedded in manifolds with spatially varying curvature, extending the constant-curvature framework of Lubold et al. (2023). Our work supports cascade risk assessment in critical infrastructure through the Templates for Risk-informed Assurance with Curvature Embeddings (TRACE) framework. Simulations on a bi-modal Gaussian surface show that constant-curvature methods yield weighted averages shaped by clique patterns, while hierarchical clustering identifies distinct regimes. Localized estimation, however, reveals boundary contamination in transitional regions. To address heterogeneity, we develop distance metrics for graphs with edge and node features, proving their metric validity, and validate them via deterministic graph generation from canonical tilings. We further propose a diffusion-based anomaly detection approach that treats networks as glued manifolds, using curvature discontinuities to detect structural anomalies. Employing the carré-du-champ operator and scalar curvature, we achieve robust anomaly discrimination, demonstrated on the Singapore Water Treatment (SWaT) dataset with joint network-traffic and sensor features. Integration with TRACE reveals how curvature shapes cascade dynamics: positive curvature impedes, while negative curvature accelerates propagation. This geometric perspective provides interpretable risk metrics and visualization tools for critical infrastructure managers. While full validation remains ongoing, our contributions establish a rigorous foundation for geometric analysis of network resilience and cascade vulnerability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Speed Optimizations for Physics Ray Trace Algorithms

Ray tracing is a process used commonly in computer graphics and in physics to track light photons and particles, respectively. Much research was found on improving execution times for the computer graphics applications; however, in the short time frame of this literary review, almost no research was found on improving the execution times for the physics applications that were relevant to this problem. Two ray trace algorithms, a STL raytrace and a conebeam raytrace, were optimized using OpenMP and CUDA.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Detection of trace contaminants released from rapidly heated pulsed power electrodes by laser diagnostics

Development of a capability to measure trace gas contaminants released from pulsed power electrodes would immediately impact Sandia pulsed power research. These releases occur during ultra-fast heating of metal electrodes during pulsed power discharges and can lead to substantial power losses through plasma formation. Detection of contaminants is a formidable challenge due to the need for in-situ spatially and temporally resolved measurements of trace gases in the extreme environment of ultra-fast heated metal surfaces. We investigate the feasibility of laser diagnostics for detecting contaminants, including H-atom, OH, and H 2 O. Laser-induced fluorescence and photofragmentation fluorescence showed significant plasma emission interferences and did not yield any detectable H-atom, OH, or H 2 O. Our newly developed H-atom detection using femtosecond degenerate four-wave mixing suppressed interferences and enabled detection of H-atoms. A few shots showed large signals in the near-surface region of metal foils, suggesting the formation of a wave of H-atoms from the metal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Aircraft measurements of aerosol and trace gas chemistry in the eastern North Atlantic

The Aerosol and Cloud Experiment in the Eastern North Atlantic (ACE-ENA) investigated properties of aerosols and subtropical marine boundary layer (MBL) clouds. Low subtropical marine clouds can have a large effect on Earth's radiative budget, but they are poorly represented in global climate models. In order to understand their radiative effects, it is imperative to understand the composition and sources of the MBL cloud condensation nuclei (CCN). The campaign consisted of two intensive operation periods (IOPs) (June–July 2017 and January–February 2018) during which an instrumented G-1 aircraft was deployed from Lajes Field on Terceira Island in the Azores, Portugal. The G-1 conducted research flights in the vicinity of the Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) atmospheric observatory on Graciosa Island. An Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) and Ionicon proton-transfer-reaction mass spectrometer (PTR-MS) were deployed aboard the aircraft, characterizing chemistry of non-refractory aerosol and trace gases, respectively. The eastern North Atlantic region was found to be very clean, with an average non-refractory submicrometer aerosol mass loading of 0.6 µg m −3 in the summer and 0.1 µg m −3 in the winter, measured by the AMS. Average concentrations of the trace reactive gases methanol and acetone were 1–2 ppb; benzene, toluene and isoprene were even lower, <1 ppb. Mass fractions of sulfate, organics, ammonium and nitrate in the boundary layer were 69 %, 23 %, 7 % and 1 % and remained largely similar between seasons. The aerosol chemical composition was dominated by sulfate and highly processed organics. Particulate methanesulfonic acid (MSA), a well-known secondary biogenic marine species, was detected, with an average boundary layer concentration of 0.021 µg m −3 , along with its gas-phase precursor, dimethyl sulfide (DMS). MSA accounted for no more than 3 % of the submicron, non-refractory aerosol in the boundary layer. Examination of vertical profiles of aerosol and gas chemistry during ACE-ENA reveals an interplay of local marine emissions and long-range-transported aged aerosol. A case of transport of biomass burning emissions from North American fires has been identified using back-trajectory analysis. In the summer, the non-refractory portion of the background CCN budget was heavily influenced by aerosol associated with ocean productivity, in particular sulfate formed from DMS oxidation. Episodic transport from the continents, particularly of biomass burning aerosol, periodically increased CCN concentrations in the free troposphere. In the winter, with ocean productivity lower, CCN concentrations were overall much lower and dominated by remote transport. These results show that anthropogenic emissions perturb CCN concentrations in remote regions that are sensitive to changes in CCN number and illustrate that accurate predictions of both transport and regional aerosol formation from the oceans are critical to accurately modeling clouds in these regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Ambient Mass Spectrometry Rapid Analysis Methods for Trace Inorganics

The ability to rapidly detect and characterize the chemistry of trace quantities of inorganic species has multiple potential applications, including nuclear safeguards, nuclear forensics, and environmental monitoring. Some mass spectrometric methods currently exist, but they are costly and time-intensive, often destroying chemical information in the process of ionization. Ambient mass spectrometry is a relatively new analytical method in which samples are introduced to the mass spectrometer from atmospheric pressure, rather than from high vacuum. Ambient MS can operate with gentler ionization methods such as electrospray ionization (ESI) and paper-spray ionization (PSI), reducing fragmentation and preserving the chemical information of the analyte. This may be useful for determining the intended purpose of material in a sample. Strontium, part of nuclear fallout, is analyzed here to test these new analytical methods for viability. Electrospray ionization mass spectrometry functions by spraying the sample as a solution through a needle charged to a few kV. A nebulizing gas flows out along with the sample to create the spray before droplets enter a drying chamber with heated drying gas to remove the solvent molecules. From there bare analyte ions enter the mass spectrometer. This method has the advantage of relatively fast sample preparation and stable ionization. More stable ionization produces higher-quality data. Paper-spray ionization mass spectrometry operates by applying sample to a paper triangle. The paper triangle is then electrified in a metal clamp to a few kV before spray solvent is applied. The spray solvent transports analyte in the sample to the tip, where it is ionized and enters the mass spectrometer. One advantage of this method is reduced sample preparation - an analyst can even swipe a surface and cut a triangle directly from the swipe. The data analysis serves to rapidly process tens of samples all at once. The mass spectrometer outputs a file containing a few hundred spectra for each sample. The pipeline processes each one to identify peaks of interest. A full palette of data analysis metrics are generated, including plots of the raw data and plots of calculated values such as isotopic ratios. The pipeline filters the raw data to remove noise and background peaks, as well as peaks representing detector saturation. A heat map is generated to show the overall spectrum in mass-time- intensity space. Post-processing, we obtained the desired calibration curves, demonstrating that both ESI-MS and PSI-MS are viable methods for quantifying trace amounts of inorganics while retaining their chemical speciation information. ESI-MS demonstrated a linear response region of 100 ppb to 20 ppm, with a limit-of-detection of around 100 ppb. At top left is an example spectrum with the {sup 88}SrNO{sub 3} peak identified to show the retention of chemical speciation. PSI-MS showed a linear response region of around 1 ppb to 1 ppm, with a limit-of-detection of near 1 ppb. PSI-MS produced more erratic results than ESI-MS, likely due to the variability in ionization resulting from manual positioning of the paper triangle near the MS inlet. Future efforts will focus on improving the repeatability of PSI-MS as well as analyzing other species of interest such as cerium and uranium. Improvements will also be made to create more reliable data extraction and intelligent data filtering.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Poincaré complex diagonals and the Bass trace conjecture

For a finitely dominated Poincaré duality space M, we show how the first author's total obstruction μ M to the existence of a Poincaré embedding of the diagonal map M→M×M relates to the Reidemeister trace of the identity map of M. We then apply this relationship to show that μ M vanishes when suitable conditions on the fundamental group of M are satisfied.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Nanoscale trace-element zoning in pyrite framboids and implications for paleoproxy applications

Pyrite framboids (spherical masses of nanoscale pyrite) are among the earliest textures of pyrite to form in sediments. It has been proposed that their trace-element (TE) contents can be used to track the TE composition of the water column in which they formed. However, it is not clear how these TEs are associated with the framboidal pyrite grains. For instance, it is important to know whether they are incorporated uniformly or are enriched in different regions of the framboid. Here, we used high-resolution scanning transmission electron microscopy to identify chemical zoning within pyrite framboids. We found that initial, nanoscale pyrite euhedral crystals, which make up the volumetric majority of the framboids, are covered/infilled by later pyrite that templates on the earlier pyrite. Further, this later pyrite is enriched in TEs, suggesting that many TEs are incorporated in pyrite relatively late (during early diagenesis; not in the water column). This observation suggests that although chemical analyses of pyrite framboids may provide ocean-water chemistry trends through time, the details are complex. Specifically, the TEs found in pyrite may be linked to adsorption onto organic matter, detrital material, and authigenic minerals such as Fe- and Mn-oxide phases followed by desorption in the sediments or release via dissolution and incorporation into pyrite as overgrowths on the initial nanoscale euhedral crystals that make up framboids. While the use of pyrite chemistry to understand past ocean conditions remains promising, and even diagenetic additions may not preclude the utility of pyrite for reconstructing ancient ocean conditions, care must be taken in interpretations because the end concentration may be influenced by diagenesis.

58 GEOSCIENCES↗
DOE OSTI2023

Trace Metal Uptake and Mercury Methylation by Sediments from a Stream in Tennessee

The formation and transport of methylmercury (MeHg), a neurotoxin, in aquatic environments is a global concern for human health as MeHg can bioaccumulate and biomagnify to high concentrations in aquatic food webs. MeHg is formed by conversion from inorganic mercury through microbial mediated methylation. Sulfate-reducing bacteria have been identified as the primary organisms responsible for MeHg production. Pure-culture studies suggest that low availability of cobalt and copper may inhibit mercury methylation, but whether such limitations occur in the environment is unclear. To explore the possible interaction between trace metal availability and mercury methylation, sediments from the East Fork Poplar Creek in Oak Ridge, Tennessee were sampled and then incubated in the presence and absence of added dissolved cobalt and copper. Three types of data are provided in this package. The first reports the uptake of dissolved cobalt and copper by these stream sediments on short time scales (24 hours) in the form of final dissolved and adsorbed concentrations. The second data component consists of a time series of dissolved concentrations and pH values for stream sediments incubated with artificial stream water containing different addition levels of dissolved cobalt or copper. The dissolved concentrations reported include total iron, manganese, sulfur, phosphorus, nickel, zinc and cobalt, dissolved concentrations of sulfate and orthophosphate, and the amount of cobalt or copper adsorbed by the sediment. The third data component reports data at 0 and 72 hours of incubation time for stream sediments to which cobalt was added. These data include concentrations of methylmercury with isotope labeling to enable determination of methylation and demethylation rates as well as dissolved concentrations of sulfate, phosphate, chloride, iron, cobalt, and organic carbon. All data are provided in text-based CSV format with header sections indicating the data contained in each file and the corresponding units. Note that "u" is used in place of Greek lower-case mu to indicate the micro prefix on units. A Table of Contents file (Data_package_TableofContents.txt) provides an index for the data contained in the individual files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

International interlaboratory compilation of trace element concentrations in the CUP-2 uranium ore concentrate standard

Herein, a nuclear forensics investigation involving a uranium ore concentrate relies on accurate and precise analysis of impurities. Analytical data defensibility requires the use of reference materials as part of quality control. This study presents a compilation of trace element concentration results of the CUP-2 Uranium Ore Concentrate Standard measured by 11 different laboratories. The laboratories employed various dissolution methods, analytical preparation methods, and instrumental platforms. The data presented here contain concentrations of 66 impurities with up to 138 individual data points for each impurity. Consensus values have been assigned to each impurity following a statistical analysis of the data set.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Accelerating laser ray tracing in high fidelity physics simulations of laser melting using squeeze U-net

Laser melting is a core component of the ongoing industrial revolution, dubbed Industry 4.0, as lasers facilitate fast and precise melting and fusion in advanced manufacturing. There is a strong need to optimize the laser process using simulations. However, this has proven challenging as high fidelity simulations are needed for predictive modeling and this is currently prohibitively expensive even when run on hundreds of processors on high performance computers. The challenge is capturing complex physics of laser material interaction, fluid dynamics, thermal physics and material phase transformations at various length and time scales. To close this technological gap, we modified a squeeze U-net to accelerate the laser ray tracing component of such high fidelity models by ~4x–40x while preserving the core physics principle of conservation of energy with 97% accuracy. This approach enables the accurate modeling of global laser energy absorption as a function of local surface temperatures and complex surface topologies, which govern the reflection directions and energy losses of laser rays upon interacting with the material surface.

Computer science↗
DOE OSTI2024

Hutchinson Trace Estimation for high-dimensional and high-order Physics-Informed Neural Networks

Physics-Informed Neural Networks (PINNs) have proven effective in solving partial differential equations (PDEs), especially when some data are available by seamlessly blending data and physics. However, extending PINNs to high-dimensional and even high-order PDEs encounters significant challenges due to the computational cost associated with automatic differentiation in the residual loss function calculation. Herein, we address the limitations of PINNs in handling high-dimensional and high-order PDEs by introducing the Hutchinson Trace Estimation (HTE) method. Starting with the second-order high-dimensional PDEs, which are ubiquitous in scientific computing, HTE is applied to transform the calculation of the entire Hessian matrix into a Hessian vector product (HVP). This approach not only alleviates the computational bottleneck via Taylor-mode automatic differentiation but also significantly reduces memory consumption from the Hessian matrix to an HVP’s scalar output. We further showcase HTE’s convergence to the original PINN loss and its unbiased behavior under specific conditions. Comparisons with the Stochastic Dimension Gradient Descent (SDGD) highlight the distinct advantages of HTE, particularly in scenarios with significant variability and variance among dimensions. We further extend the application of HTE to higher-order and higher-dimensional PDEs, specifically addressing the biharmonic equation. By employing tensor-vector products (TVP), HTE efficiently computes the colossal tensor associated with the fourth-order high-dimensional biharmonic equation, saving memory and enabling rapid computation. The effectiveness of HTE is illustrated through experimental setups, demonstrating comparable convergence rates with SDGD under memory and speed constraints. Additionally, HTE proves valuable in accelerating the Gradient-Enhanced PINN (gPINN) version as well as the Biharmonic equation. Overall, HTE opens up a new capability in scientific machine learning for tackling high-order and high-dimensional PDEs.

Curse of dimensionality↗
DOE OSTI2022

Modeling and implementation of vertical excursion FFA in the Zgoubi ray-tracing code

Vertical Fixed Field Accelerators (vFFAs) feature complex and highly non-linear magnetic fields, which require simulation codes allowing step-wise particle tracking. Methods to model the 3D magnetic field of scaling vFFAs have been developed in the ray-tracing code Zgoubi. The field modeling and particle tracking methods include the field non-linearities, the fringe fields, and the field superposition of neighboring magnets. The procedure implements the vFFA analytical field expressions, allowing design studies and parameter optimizations using the Zgoubi built-in fit method. The vFFA procedure has been applied to a ten-fold symmetry ring with a triplet focusing structure designed to accelerate protons from 3 MeV to 12 MeV and studied under the ISIS-II proton driver prototype project. Results from particle tracking in externally generated 3D semi-analytical field maps and the developed vFFA analytical model are shown to be in excellent agreement.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Trace impurity transport in multi-species plasmas with large particle fluxes

A burning fusion plasma has a large inwards flux of fuel and outwards flux of ash. Existing impurity transport theories do not account for a steady-state environment of such large fluxes. In this paper, we extend classical transport theory to account for a background of such fluxes. In a mainly two-ion species magnetized plasma, with oppositely directed density gradients maintained by oppositely directed sources of the two species, trace impurity ions are shown to align with the larger mass ions. This unexpected behavior is derived analytically and simulated numerically using the MITNS (Multiple-Ion Transport Numerical Solver) code. Overall, the result suggests a potential advantage of edge-fueled p-B11 fusion in extracting high-Z impurities, and possible applications in plasma-based separation methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗