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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Plutonium isotope ratio measurements by total evaporation-thermal ionization mass spectrometry (TE-TIMS): an evaluation of uncertainties using traceable standards from the New Brunswick Laboratory

The accuracy and precision of isotope amount ratio measurements using thermal ionization mass spectrometry (TIMS) instrumentation are described, and the measurement of Pu materials is emphasized. The mass fractionation observed for Am, Ga, Pu, and U for isotope amount ratio measurements using the total evaporation (TE) technique is compared with theoretical estimates to demonstrate the advantage of the TE methodology and to investigate systematic biases in the major isotope amount ratios of U and Pu certified reference material (CRM) standards from the U.S. provider of CRMs. The quality of the Pu isotopic data generated by TIMS instruments in an analytical laboratory is demonstrated by the application of the double ratio technique to estimate the 241 Pu half-life. Analytical data on traceable Pu CRMs from the New Brunswick Laboratory (NBL), generated as part of routine measurements supporting various programs, are used for this half-life estimation. Although the 241 Pu abundances in CRMs of 136, 137, 138, and 126-A are approximately 200–2000× smaller than those in the 241 Pu material used in the previous Institute for Reference Materials and Measurements (IRMM) evaluation of the 241 Pu half-life, the half-life value estimated in this work shows excellent agreement with the currently accepted value from the IRMM. This agreement also demonstrates the pedigree of the Pu isotopic standards from the NBL and the quality of the isotope amount ratio measurements using TIMS instrumentation. For both the major and minor Pu isotope amount ratios, this report describes the relative importance of the factors affecting the uncertainty of TIMS measurements, which are considered the gold standard in isotope ratio measurements (LA-UR-24-29199).

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Groundwater and surface water head from 2019 to 2022 at the Tims Branch in Savannah River Site (SRS), South Carolina.

This dataset contains groundwater and surface water head measurements for investigating hydro-biogeochemical processes in Tims Branch at the Savannah River Site, SC. Water levels were monitored using pressure transducers installed in surface water gauges and piezometers across three subsites in Tims Branch, identified as Wfloc, Snon (Snon1 and Snon2), and Sfloc. A barometric pressure logger was deployed in piezometers to correct pressure transducers from atmospheric pressure. Manual water level measurements were taken to calibrate transducer data. The dataset consists of at least paired groundwater and surface water head time series for each subsite, provided as individual CSV files. These data support analyses of surface-groundwater interactions, hydrologic controls on redox processes, and broader synthesis of wetland hydrology at the Savannah River Site.

ESS-DIVE CSV File Formatting Guidelines Reporting ↗
DOE OSTI2025

ATONA TE-TIMS of minor uranium isotopes (FY25 Mid-Year Report)

Isotopic measurements of the minor isotopes of uranium ( 233 U, 234 U, 236 U) are indispensable measures for material accountability and processing history but can be particularly challenging to accurately measure due to the very low abundance of the minor isotopes relative to 238 U, or 235 U in the case of highly enriched uranium (HEU). The goal of this project is to quantify detection limits for minor uranium isotope species at environmental levels (e.g 236 U/ 238 U < 10 -7 ) utilizing an ATONA-outfitted instrument and the Total Evaporation Thermal Ionization Mass Spectrometry (TE-TIMS) method. In the first half of Fiscal Year 2025, we set out to identify a suitable experimental material (Task 1) and to optimize our TE-TIMS measurement routine (Task 2). We have successfully identified a material and are in the process of getting an aliquot shipped to LANL. Simultaneously, we began working on our measurement routine utilizing CRM 112A. The results of each task are discussed in detail below.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

FY26 MID-YEAR REPORT 238 Pu Measurement in Bulk Environmental Samples by Thermal Ionization Mass Spectrometry (TIMS)

Funding was received in December 2026 to optimize a nascent measurement capability for mass spectrometry of 238 Pu, as it would apply to relevant environmental collections in safeguards applications, i.e. NWAL swipes or other bulk collections such as soil, sediment, waters, or air filters. The measurement relies on differing ionization temperatures for U and Pu during thermal ionization and therefore leverages TIMS to partially separate and measure these elements. Collected counts of 238 Pu can be mathematically corrected for interfering counts of background 238 U, by addition of a U tracer (e.g. 235 U) to account for the 238 U present. The method has undergone initial characterization at LANL regarding detection limit, precision, and accuracy but requires further applicability-testing for possible use in safeguards.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Cu-, Co-, and Zn-Based Metal–Organic Framework-Derived Nanoporous Ion Emitters for Picogram Level Analysis of Actinides

Thermal ionization mass spectrometry (TIMS) is often regarded as the preferred technique for trace-level isotopic analysis of actinides owing to its high sensitivity and absence of carry-over effects. However, actinide sample utilization efficiency (SUE) is typically low (<0.05%) without the use of activators or specialized loading approaches which can yield SUEs of >5%. To this effect, we investigate a series of metal–organic framework (MOF)-based nanoporous ion emitters (nano-PIEs) that show enhanced ionization of actinides when used in TIMS loading. We study the impact of physical and chemical properties of MOFs on TIMS SUEs using two families of MOFs that can be synthesized under similar reaction conditions. The structural and chemical properties of these MOFs can be systematically modified one at a time while keeping other features the same. This allows us to strategically investigate their impact on SUEs. The first family of MOFs considered in this study is Zeolitic Imidazole Frameworks (ZIFs) which are made using 2 methyl-imidazole as an organic linker with zinc (ZIF-8) and cobalt (ZIF-67) as metal centers. Additionally, the effect of morphology was also studied using Zn-based ZIF-L with a 2-dimensional structure. The second family of MOFs was synthesized using benzene-1,3,5-tricarboxylate (BTC) with copper (Cu-BTC) and zinc (Zn-BTC) as the metal center. Among the MOFs tested, Cu-BTC showed the highest SUE with an average SUE of 0.27 ± 0.15%, followed closely by Zn-BTC (0.24 ± 0.10%), ZIF-8 (0.17 ± 0.10%), and trailed by the other MOFs. When the MOFs were pyrolyzed in N 2 before loading, an apparent increase in the SUE was observed with ZIF-8 and Cu-BTC showing average SUEs of 0.25 ± 0.08% and 0.34 ± 0.13%, respectively, with the highest measured SUE of 0.53% for pyrolyzed Cu-BTC. In conclusion, this observed increase in SUE by up to an order of magnitude compared to bare filaments demonstrates the efficacy and potential of MOF-derived nano-PIEs for TIMS application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Counting topological interface modes using simplicial characteristic classes

A computational approach for predicting the number of topological interface modes (TIMs) in hermitian systems using the spectral flow—monopole correspondence is presented. The number of TIMs is determined by calculating the Chern number of a complex line bundle of local polarisation vectors over a phase space sphere surrounding a Weyl point. The Chern number is computed by constructing the simplicial first Chern class of a discrete vector bundle on a simplicial mesh. This approach is gauge invariant, derivative free, structure preserving, and robust to noise. The algorithm is shown to reproduce the expected number of TIMs for the case of equatorial fluid waves and the topological Langmuir cyclotron wave. The possibility of using this algorithm to analyse experimental measurements of bulk wave polarisations and predict the associated number of TIMs is explored in a synthetic example.

discrete vector bundles↗
DOE OSTI2025

A Robust Assessment of High-Precision Plutonium Isotopic Analysis by Thermal Ionization Mass Spectrometry [Slides]

TIMS at SRNL • SRNL consolidated analytical laboratories and services into one area – loss of TIMS capability during relocation. • SRNL installed a new Thermo Scientific TRITON Plus TIMS in our Category II Nuclear Facility to re-establish the lab’s TIMS capabilities in Feb. 2024. • Allows for handling, preparation, purification, and analysis of high-level radiological materials within a single location • Pu and U isotopic composition and assay measurement qualification have been priority since installation. • Once the instrument has been qualified, this capability will support internal and external customers.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Forecasting the Cross Correlation of Terahertz Intensity Mapper [C ii] Line Intensity Maps with Euclid Galaxies

We forecast that the Terahertz Intensity Mapper (TIM) cross-correlated with Euclid’s Deep Field Fornax (EDF-F), TIM × EDF-F, will detect the [C ii]-galaxy cross-power spectrum at a median redshift of 1.1 with ≳7σ confidence. The Poisson component of the cross-power spectrum at 0.1 ≤ k ≤ 10 h Mpc$^{−1}$ (i.e., cross-shot noise) will be detected at ≳3σ in four bins spanning 0.5 < z < 1.7. This measurement will constrain the mean [C ii] specific intensity over half of cosmic history and assess the degree to which Euclid-selected galaxies account for the [C ii] intensity observed by TIM. We find that TIM can detect the cross-power spectrum across a wide range of [C ii] intensity models.

Bracks, Justin S. [UCLA; Caltech; UPenn, Philadelp↗
DOE OSTI2025

Enhancement of Uranium Ionization Efficiencies Using Zn-MOF-74 Derived Nanoporous Ion Emitters for Thermal Ionization Mass Spectrometry

The recent introduction of nano-porous ion emitters (nano-PIEs) formed from metal organic frameworks (MOFs) has demonstrated the potential to enhance sensitivity for thermal ionization mass spectrometry (TIMS). Nano-PIEs take advantage of the parent MOF’s chemical and structural tunability to form scaffolds for ion emitters. A study by Barpaga et al. 2023 on MOF-74 as the parent material found that with high volatility metals in their framework uranium sample utilization efficiency (SUE) increases by up to nine-fold (e.g., Zn-MOF-74) compared to that of the analyte on a bare filament (~0.05%). Here, in this study, we investigate the performance of Zn-MOF-74 to maximize uranium efficiencies at the trace level (= 10 -12 g) by altering the parent MOF morphology and chemistry (i.e., MOF crystal sizes and thermal degradation) and optimizing its integration with TIMS (i.e., MOF mass on a filament and ramp conditions). We observed improvement in SUE up to 20 times (≤1.0%) that of a bare filament load when nano-PIEs derived from nanocrystals of Zn-MOF-74 were heated under a specific current ramp condition. This demonstrates that rates of nano-PIE structural collapse during TIMS analysis and the subsequently formed nanomaterials (and their features) can be tuned to control analyte ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

High sensitivity measurement of femtogram-level 238 Pu by thermal ionization mass spectrometry with correction of background 238 U

Low-concentration plutonium isotopic measurements provide a valuable fingerprint to identify possible material origins in the context of environmental contamination monitoring, environmental tracing, nuclear safeguards, nuclear forensics, and treaty monitoring. Thermal ionization mass spectrometry (TIMS) has long been recognized as one of the most sensitive techniques for plutonium isotopic measurement, but has not generally been utilized for 238 Pu determination, especially at low concentrations, due to an isobaric interference from 238 U, prevalent as background. Here, this work demonstrates a new analytical technique for correction of background 238 U from the 238 Pu counts collected during a TIMS analysis. The technique takes advantage of the higher ionization temperature of U relative to Pu and uses a 235 U tracer added after plutonium purification chemistry for 238 U semi-quantitative determination. This technique has been successfully applied to the determination of 238 Pu concentration and the 238 Pu/ 239 Pu ratio in sample types including single-isotope standards, isotopic certified reference materials, matrix-containing environmental reference materials, and simulated nuclear detonation debris. The results have been directly compared on a sample-by-sample basis to alpha spectrometry results. The detection limit by this new technique is 0.23 fg 238 Pu, which was previously unachievable by mass spectrometry and is possible in around 1 h of analysis time post-chemistry compared to weeks of required counting time by alpha spectrometry (at the same atom amount). We also present original, high precision data for Pu isotope concentrations in IAEA-384, Fangataufa Sediment, including 242 Pu results for the first time. The new technique allows measurement of a key isotope, 238 Pu, that was previously not measured in small environmental or nuclear forensics collections.

238Pu↗
DOE OSTI2025

Carbon nanotube coated metal mesh: Bridging nanoscale and macroscale

A novel hybrid structure has been developed by growing carbon nanotubes (CNTs) on a metal mesh that functions as a literally unlimitedly extendable backbone. This hybrid material structure provides a new approach of extending CNTs’ advantageous properties such as ultrahigh thermal and electrical conductivities, high sensitivity to gases, and distinctive wettability for different liquids with chemical inertness to macroscale—otherwise available only in nano- and microscales. In this feasibility work, CNTs were grown on a Type 316 stainless steel (SS) mesh by self-catalytical chemical vapor deposition (CVD) without the need of an externally added catalyst or catalyst support. For the radially aligned and entangled CNT forest on the SS mesh, the average CNT diameter is around 50 nm, while the length varies from 20 to 25 µm. High-resolution transmission electron microscopy analysis revealed the multiwall structure of the CNTs with >30 rolled-up graphitic sheets. Raman spectra of the CNTs showed a dominant G band, indicating a well-ordered graphitic nanostructure. Being highly hydrophobic with a water contact angle of ∼145° and oleophilic, the CNT-coated SS mesh could be used in fluid separation and organic contaminant removal from water. Moreover, CNTs are recognized for their exceptional thermal conductivity and the CNT-coated mesh offers a supportive structure with directly connected CNTs for efficient heat transfer. Proof of concept has been achieved for the CNT-coated mesh’s potentials as a liquid filter and an thermal interface material (TIM). Specifically, the CNT-coated mesh demonstrated the capability of capturing water from a water-organic mixture with a 100 % efficiency while allowing organic liquids to pass through the filter. Furthermore, when used as a TIM, the CNT-coated mesh reduced the interfacial thermal impedance by >30 %.

Carbon nanotubes (CNTS)↗
DOE OSTI2025

Lithium isotopic analysis in depleted lithium salts

Lithium isotope separation processes require characterization of the isotopic compositions of the different output phases of the process. While considerable effort to develop isotope separation methods has been ongoing for decades, the analytical methods associated with these analyses are rarely provided. Here, in this work three types of mass spectrometers (Q-ICP-MS, MC-ICP-MS, TIMS) were tested for the ability to measure depleted lithium salts that are relevant materials for isotopic separations. Results indicate that, once stabilized, the Q-ICP-MS can provide equal precision for Li isotopic samples compared to TIMS or MC-ICP-MS. However, MC-ICP-MS consistently provides the highest precision for salts across both depleted and natural isotopic abundances. These data demonstrate that Q-ICP-MS is an appropriate choice for analysis of depleted lithium salts, especially when rapid analyses are desired for online process monitoring.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Bayesian Statistical Analysis for Mass Spectrometric Data Processing

• Thermal ionization mass spectrometry (TIMS) is a “gold standard’ technique for actinide isotope amount ratio and assay measurements. • Ubiquitously used in: • Nuclear Nonproliferation • Nuclear Safeguards • Nuclear Forensics • Basic Science • Savannah River National Laboratory (SRNL) installed a new Thermo Scientific TRITON Plus TIMS in early 2024.

McLarty, Ellis C. [Savannah River National Laborat↗
DOE OSTI2025

Bayesian Statistical Analysis for Mass Spectrometric Data Processing

Thermal ionization mass spectrometry (TIMS) is a “gold standard’ technique for actinide isotope amount ratio and assay measurements. • Ubiquitously used in: • Nuclear Nonproliferation • Nuclear Safeguards • Nuclear Forensics • Basic Science • Savannah River National Laboratory (SRNL) installed a new Thermo Scientific TRITON Plus TIMS in early 2024.

McLarty, Ellis C. [Savannah River National Laborat↗
DOE OSTI2024

Quantifying microbial roles in environmental iron oxidation via an integrated kinetics, `omics and metabolic modeling study (Final Report)

Iron oxyhydroxides are extremely reactive components of environmental systems, and therefore exert a strong influence on biogeochemical cycles. These oxyhydroxides strongly adsorb many biologically-relevant elements, including organic carbon and phosphate, as well as a wide range of metals including uranium and actinide species. Thus, the formation mechanism of iron oxyhydroxides are key to understanding both nutrient and contaminant cycling. Microorganisms can catalyze iron oxidation and promote the formation of Fe biominerals and thus are increasingly recognized as important players in biogeochemical cycling. However, it is completely unknown how much of environmental iron oxidation is biologically mediated versus abiotic, and various challenges in studying microbial iron oxidation have hindered accurate incorporation into hydrobiogeochemical models. The overarching goal of our work was to quantify and constrain microbial iron oxidation rates and use ‘omics to gain insight into the controls on this process, while developing tools to enable integration of biotic iron oxidation into hydrobiogeochemical models. Our work focused on the Savannah River Site (SRS) in South Carolina, where extensive microbial iron oxidation has been observed. At Tims Branch, part of the Argonne National Laboratory Wetland Hydrobiogeochemistry Science Focus Area (Argonne SFA), where groundwater discharges into a stream, iron-oxidizing microbial mats form and appear to be a major sink of uranium. In the wetlands that surround Tims Branch, there are wide swaths of iron microbial mats and flocs (mobilized mat). We measured biotic and abiotic iron oxidation rates using mats and water sampled from these sites and found that iron oxidation is primarily carried out by chemolithotrophic microorganisms. The resulting rate constants can be incorporated into models. These mats were characterized by metagenomics and metatranscriptomics, which showed that aerobic chemolithotrophs were the dominant iron-oxidizing bacteria (FeOB), and these included Gallionellaceae and Leptothrix, and possibly Rhodoferax, which is known as an Fe-reducer but may also oxidize Fe(II). This demonstrated that diverse FeOB can coexist and suggests that there are a range of niches and therefore drivers of chemolithotrophic iron oxidation. Analysis of reconstructed genomes strongly suggests that a major factor in diversity is carbon source, as genomes contained varied pathways for autotrophy and heterotrophy. We performed an in-depth analysis of Leptothrix ochracea genomes, since this sheath-former is one of the primary mat builders, yet its physiology remained unresolved. A combination of genomics, transcriptomics, and metabolic modeling suggest that L. ochracea grows mixotrophically using a combination of Fe(II) and organics for energy and both inorganic and organic carbon to create biomass. This contrasts with the largely autotrophic Gallionellaceae (Gallionella, Sideroxydans, and Ferriphaselus) also present in the mats and flocs. Remarkably, multiple FeOB, both Leptothrix and Gallionellaceae, showed activity in response to Fe(II) in live mat incubations. We tracked the gene expression of individual MAGs to Fe(II) and found that various autotrophic and heterotrophic FeOB responded to Fe(II), increasing expression of both carbon fixation and organic utilization genes. The results of the integrated field, kinetics, and omics studies give detailed insight into 1) the taxa that oxidize Fe, and 2) how they connect Fe, C, and N cycles. Towards the goal of connecting omics data to hydrobiogeochemical models, we worked with the KBase team to create a template metabolic model for chemolithotrophic iron oxidation. We initially modeled the well-characterized isolate Gallionellaceae Sideroxydans lithotrophicus, and also applied the model to the mixotroph L. ochracea. In all, we have characterized diverse FeOB in a representative wetland system and solved key problems that enable better incorporation of iron-oxidizing microbes into hydrobiogeochemical models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Modeled Electricity Demand Profiles for Electric Transit Bus Depots in the United States

Hourly one-week electricity demand profiles for electric transit bus depots in the United States, as described in Liu et al. (2025). Please cite as: Liu, Bo, Tim Jonas, Kara Podkaminer, and Brennan Borlaug. 2025. Hourly Load Profile Dataset for Electric Transit Bus Depots in the United States. Golden, CO: National Renewable Energy Laboratory. NREL/TP-5400-92140. https://www.nlr.gov/docs/fy25osti/92140.pdf

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

A Modified DBC Substrate Improving Thermal Performance for Confined Space Applications

High-power modules use substrates to house the semiconductor device and for electrical insulation. These substrates are constructed with thermally conductive dielectric material sandwiched between two metals to extract heat from semiconductor chips. Thus, the required cooling performance of a power module is linked to the substrate’s thermal performance and can vary based on the substrate technologies. Here, in this study, five substrate technologies were evaluated for space-restricted applications: direct-bonded copper (DBC), an insulated metal substrate (IMS), a thermally annealed pyrolytic graphite (TPG)-based IMS, DBC-based double-sided cooling, and direct-bonded aluminum (DBA) where the heat sink is directly attached without thermal interface materials (TIMs). The finite element (FE) analysis results suggest that the popular DBC substrate has thermal performance better than that of the other substrates for space-constrained applications. To further improve the thermal performance, a modified DBC substrate was proposed where a copper block was added between the semiconductor and the DBC substrate to achieve heat spreading underneath the chip. The modified DBC performance was then compared with the aforementioned substrates and the results showed significant thermal performance improvement. The results were verified with experimental results where the proposed substrate showed 20% more loss handling capability compared to an identical DBC substrate.

42 ENGINEERING↗
DOE OSTI2024

Structure and identification of the native PLP synthase complex from Methanosarcina acetivorans lysate

Many protein-protein interactions behave differently in biochemically purified forms as compared to their in vivo states. As such, determining native protein structures may elucidate structural states previously unknown for even well-characterized proteins. Here, we apply the bottom-up structural proteomics method, cryoID , toward a model methanogenic archaeon. While they are keystone organisms in the global carbon cycle and active members of the human microbiome, there is a general lack of characterization of methanogen enzyme structure and function. Through the cryoID approach, we successfully reconstructed and identified the native Methanosarcina acetivorans pyridoxal 5′-phosphate (PLP) synthase (PdxS) complex directly from cryogenic electron microscopy (cryo-EM) images of fractionated cellular lysate. We found that the native PdxS complex exists as a homo-dodecamer of PdxS subunits, and the previously proposed supracomplex containing both the synthase (PdxS) and glutaminase (PdxT) was not observed in cellular lysate. Our structure shows that the native PdxS monomer fashions a single 8α/8β TIM-barrel domain, surrounded by seven additional helices to mediate solvent and interface contacts. A density is present at the active site in the cryo-EM map and is interpreted as ribose 5-phosphate. In addition to being the first reconstruction of the PdxS enzyme from a heterogeneous cellular sample, our results reveal a departure from previously published archaeal PdxS crystal structures, lacking the 37-amino-acid insertion present in these prior cases. This study demonstrates the potential of applying the cryoID workflow to capture native structural states at atomic resolution for archaeal systems, for which traditional biochemical sample preparation is nontrivial.

Methanosarcina acetivorans↗