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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 OSTI2025

Abundant ammonia and nitrogen-rich soluble organic matter in samples from asteroid (101955) Bennu

Organic matter in meteorites reveals clues about early Solar System chemistry and the origin of molecules important to life, but terrestrial exposure complicates interpretation. Samples returned from the B-type asteroid Bennu by the Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer mission enabled us to study pristine carbonaceous astromaterial without uncontrolled exposure to Earth’s biosphere. Here we show that Bennu samples are volatile rich, with more carbon, nitrogen and ammonia than samples from asteroid Ryugu and most meteorites. Nitrogen-15 isotopic enrichments indicate that ammonia and other N-containing soluble molecules formed in a cold molecular cloud or the outer protoplanetary disk. We detected amino acids (including 14 of the 20 used in terrestrial biology), amines, formaldehyde, carboxylic acids, polycyclic aromatic hydrocarbons and N-heterocycles (including all five nucleobases found in DNA and RNA), along with ~10,000 N-bearing chemical species. All chiral non-protein amino acids were racemic or nearly so, implying that terrestrial life’s left-handed chirality may not be due to bias in prebiotic molecules delivered by impacts. The relative abundances of amino acids and other soluble organics suggest formation and alteration by low-temperature reactions, possibly in NH 3 -rich fluids. Bennu’s parent asteroid developed in or accreted ices from a reservoir in the outer Solar System where ammonia ice was stable.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Enhanced Spatial Mapping of Histone Proteoforms in Human Kidney Through MALDI-MSI by High-Field UHMR-Orbitrap Detection

Core histones including H2A, H2B, H3, and H4 are key modulators of cellular repair, transcription, and replication within eukaryotic cells, playing vital roles within the pathogenesis of disease and cellular responses to environmental stimuli. Traditional mass spectrometry (MS) based bottom-up and top-down proteomics allows for the comprehensive identification of proteins and of post-translational modification (PTM) harboring proteoforms. However, these methodologies have difficulties preserving near cellular spatial distributions because they typically require laser capture microdissection (LCM) and advanced sample preparation techniques. Herein, we coupled matrix-assisted laser desorption/ionization (MALDI) source with a Thermo Scientific Q-Exactive HF Orbitrap MS upgraded with ultra-high mass range (UHMR) boards for the first demonstration of complementary high-resolution accurate mass measurements of proteoforms directly from tissue using this benchtop mass spectrometer. The platform achieved isotopic resolution throughout the detected mass range, providing confident assignments of proteoforms with low ppm mass error and a vastly improved duty cycle over other Fourier transform mass analyzers. Proteoform mapping of core histones was demonstrated on sections of human kidney at near-cellular spatial resolution, with several key distributions of histone and other proteoforms noted within both healthy biopsy and a section from a renal cell carcinoma (RCC) containing nephrectomy. Further, the use of MALDI-MS imaging (MSI) for proteoform mapping demonstrates several steps towards high-throughput accurate identification of proteoforms and provides a new tool for mapping biomolecule distributions throughout tissue sections in extended mass ranges.

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

First Observation of Multiphonon 𝛾-Vibrations in an Odd-Odd Nuclear System

Here, the identification of the first multiphonon 𝛾-vibrational bands in an odd-odd neutron-rich nucleus of the nuclear chart is presented. These high-spin structures of hard to access $^{104}_{41}\textrm{Nb}_{63}$, produced in fission, were studied by combining a spectrometer with isotopic resolution coupled to a 𝛾-ray tracking array and independently from high-fold 𝛾 coincidence measurements. Triaxial projected shell model calculations for the high-spin states are in good agreement with the measured observables for the yrast, one-phonon, and two-phonon 𝛾 bands. The possibility of an oblate shape of an isomeric state and coexistence of triaxial and oblate configurations is investigated from the decay of the 141 keV isomer. The present Letter illustrates the robustness of vibration excitations in the presence of an odd valence proton and neutron as well as the possibly coexisting shapes beyond the 𝑁 = 60 transitional region.

Wang, E. H. [Shandong Univ., Jinan (China); Vander↗
DOE OSTI2026

Nuclear Structure Studies for Schiff Moment Enhancement

One of the major open questions in modern physics is the origin of the matter-antimatter asymmetry observed in the universe. While the Standard Model contains sources of charge-parity (CP) violation, they appear insufficient to explain the observed dominance of matter over antimatter. As a result, searches for additional sources of CP violation are an important area of contemporary nuclear and particle physics. Atomic electric dipole moments (EDMs) provide sensitive probes of CP-violating interactions. In heavy nuclei, the observable atomic EDM can be enhanced through the presence of a nuclear Schiff moment, which arises from CP-violating nuclear forces and nuclear structure effects. The review paper Nuclear Schiff Moments and CP Violation by Jonathan Engel provides an overview of the theoretical framework connecting CP violation, nuclear structure, and Schiff moments. The long-term goal of this project is to contribute to the identification and characterization of nuclei that may exhibit enhanced Schiff moments. Such nuclei are often associated with strong octupole correlations or low-energy parity-doublet structures that can amplify CP-violating effects. This report summarizes progress made during the initial phase of the project, including a survey of candidate isotopes and preparation for nuclear-structure calculations using the HFODD code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Clear as mud redefined: Tunable transparent mineral scaffolds for visualizing microbial processes below ground

Microbes inhabiting complex porous microenvironments in sediments and aquifers catalyze reactions that are critical to global biogeochemical cycles and ecosystem health. However, the opacity and complexity of porous sediment and rock matrices have considerably hindered the study of microbial processes occurring within these habitats. Here, we generated microbially compatible, optically transparent mineral scaffolds to visualize and investigate microbial colonization and activities occurring in these environments, in laboratory settings and in situ. Using inexpensive synthetic cryolite mineral, we produced optically transparent scaffolds mimicking the complex 3D structure of sediments and rocks by adapting a suspension-based, freeze-casting technique commonly used in materials science. Fine-tuning of parameters, such as freezing rate and choice of solvent, provided full control of pore size and architecture. The combined effects of scaffold porosity and structure on the movement of microbe-sized particles, tested using velocity tracking of fluorescent beads, showed diverse yet reproducible behaviors. The scaffolds we produced are compatible with epifluorescence microscopy, allowing the fluorescence-based identification of colonizing microbes by DNA-based staining and fluorescence in situ hybridization (FISH) to depths of 100 µm. Additionally, Raman spectroscopy analysis indicates minimal background signal in regions used for measuring deuterium and 13 C enrichment in microorganisms, highlighting the potential to directly couple D 2 O or 13 C stable isotope probing and Raman-FISH for quantifying microbial activity at the single-cell level. To demonstrate the relevance of cryolite scaffolds for environmental field studies, we visualized their colonization by diverse microorganisms within rhizosphere sediments of a coastal seagrass plant using epifluorescence microscopy. The tool presented here enables highly resolved, spatially explicit, and multimodal investigations into the distribution, activities, and interactions of underground microbes typically obscured within opaque geological materials until now.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Report on Inventory of Samples from Six Capsules from BOR-60

As part of the University of Michigan Grand Challenge Integrated Research Project, Oak Ridge National Laboratory (ORNL) received a drum containing six capsules from Pacific Northwest National Laboratory in August 2025. Each capsule originated at the University of Michigan and contained approximately 44 disks of various iron-based alloys (T91, HT9, T92, 800H, and others). These capsules were irradiated at several temperatures in the BOR-60 fast reactor for multiple cycles to accumulate high levels of damage. The drum was sent to the Irradiated Materials Examination and Testing (IMET) hot cell facility, a Class III nuclear facility, located in Building 3025E at ORNL. The IMET hot cell facility at ORNL is designed to receive irradiation capsules from the High Flux Isotope Reactor and perform capsule opening, basic optical examination, and mechanical testing on neutron-irradiated materials. Capsules were unloaded from the drum and placed in cell 6 for disassembly in February 2026. A low-speed saw opened each capsule, and a manipulator moved the disks to a dual microscope setup for disk identification, as shown in Figure 1.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Identification of $^{3}$He–$^{3}$H clusters in the $^{6}$Li+$^{89}$Y experiment using particle-$\gamma$ coincidence measurement

The 6 Li+ 89 Y experiment was performed to explore the reaction mechanism induced by a weakly bound nucleus 6 Li and its cluster configuration. Here, the particle-$\gamma$ coincidence method was used to identify the different reaction channels. The $\gamma$-rays coincident with 3 He/ 3 H indicate that the 3 H/ 3 He stripping reaction plays a significant role in the formation of Zr/Nb isotopes. The obtained results support the existence of a 3 He- 3 H cluster in 6 Li. Direct and sequential transfer reactions are adequately discussed, and the FRESCO code is used to perform precise finite-range cyclic redundancy check calculations. In the microscopic calculation, direct cluster transfer is more predominant than sequential transfer in 3 H transfer. However, the direct cluster transfer is of comparable magnitude to the sequential transfer in the 3 He transfer.

CRC calculations↗
DOE OSTI2022

Machine Learning Techniques for Pile-Up Rejection in Cryogenic Calorimeters

CUORE Upgrade with Particle IDentification (CUPID) is a foreseen ton-scale array of Li 2 MoO 4 (LMO) cryogenic calorimeters with double readout of heat and light signals. Its scientific goal is to fully explore the inverted hierarchy of neutrino masses in the search for neutrinoless double beta decay of 100 Mo. Pile-up of standard double beta decay of the candidate isotope is a relevant background. We generate pile-up heat events via injection of Joule heater pulses with a programmable waveform generator in a small array of LMO crystals operated underground in the Laboratori Nazionali del Gran Sasso, Italy. This allows to label pile-up pulses and control both time difference and underlying amplitudes of individual heat pulses in the data. We present the performance of supervised learning classifiers on data and the attained pile-up rejection efficiency.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

The sweeper spectrometer for neutron invariant-mass spectroscopy at FRIB

Neutron invariant-mass spectroscopy (NIMS) is a key technique for studying unbound and weakly bound nuclei at the limits of stability. At the Facility for Rare Isotope Beams (FRIB), such measurements are performed using the Sweeper spectrometer, a large-gap, high-rigidity dipole system coupled to the MoNA-LISA neutron detector arrays. To meet the demands imposed by higher beam energies (>130 MeV/u) and the broad cocktail-beam selection available at FRIB, the spectrometer has recently been upgraded to improve particle-identification and detection performance. Upstream of the reaction target, a plastic scintillator with Silicon photomultiplier (SiPM) readout provides the global trigger and time reference, two parallel plate avalanche counters (PPACs) track the trajectories of incoming beam particles, and a silicon PIN detector measures the energy loss, ΔE, for charge (Z) identification. After the Sweeper magnet, the trajectories of the reaction products are tracked by two micro-pattern drift chambers (MPDCs), their charge (Z) is identified by a Frisch-grid ionization chamber (FG-IC), and their mass-to-charge ratio (A/Q) is deduced by time-of-flight measurement using a fast plastic scintillator read out by an array of photomultiplier tubes (PMTs). The detection system also incorporates the Modular Neutron Array (MoNA) for neutron detection and the CAESium-iodide scintillator ARray (CAESAR) for high-efficiency γ-ray measurements to enable full kinematic reconstruction. Performance was evaluated using a cocktail beam around 37 Al accelerated at E ≈ 130 MeV/u during the first FRIB campaign, demonstrating the readiness of the upgraded system for future studies of nuclei at and beyond the neutron drip line.

Particle identification methods↗
DOE OSTI2026

First observation of a high-𝐾 band structure in 162 Er and implications in the context of the identical bands phenomenon

The first ever identification of a high-𝐾 band structure in 162 Er is reported. Based on a 𝐾 𝜋 = 7 (−) isomer, it is found to be identical in nature to the corresponding 𝐾 𝜋 = 7 − sequence in 164 Er up to its highest observed spin. Furthermore, the phenomenon of identical high-K bands built on a two-quasiparticle configuration in an isotopic chain is reported here for the first time. While this is a notable addition to the systematics of known identical bands in nuclei at normal deformation, a satisfactory global understanding of the phenomenon remains elusive.

150 ≤ A ≤ 189↗
DOE OSTI2021

In Situ Strong Metal–Support Interaction (SMSI) Affects Catalytic Alcohol Conversion

Strong metal–support interactions (SMSIs) and catalyst deactivation have been heavily researched for decades by the catalysis community. The promotion of SMSIs in supported metal oxides is commonly associated with H 2 treatment at high temperature (>500 °C), and catalyst deactivation is commonly attributed to sintering, leaching of the active metal, and overoxidation of the metal, as well as strong adsorption of reaction intermediates. Alcohols can reduce metal oxides, and thus here we have hypothesized that catalytic conversion of alcohols can promote SMSIs in situ . In this work we show, via IR spectroscopy of CO adsorption and electron energy loss spectroscopy (EELS), that during 2-propanol conversion over Pd/TiO 2 coverage of Pd sites occurs due to SMSIs at low reaction temperatures (as low as ~ 190 °C). The emergence of SMSIs during the reaction ( in situ ) explains the apparent catalyst deactivation when the reaction temperature is varied. A steady-state isotopic transient kinetic analysis (SSITKA) shows that the intrinsic reactivity of the catalytic sites does not change with temperature when SMSI is promoted in situ ; rather, the number of available active sites changes (when a TiO x layer migrates over Pd NPs). SMSI generated during the reaction fully reverses upon exposure to O 2 at room temperature for ~15 h, which may have made their identification elusive up to now.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization of U Isotope Ratios by Laser Ablation MC-ICP-MS for IAEA Safeguards

This project will develop methodology to identify and analyze U and Pu containing particles using laser ablation MC-ICP-MS. The proposed work will involve: i) setup and optimization of the LA-MC-ICP-MS system, ii) testing and validation by analysis of QC standards, iii) designing analytical protocols for single particles, and iv) developing a data processing system. Ultimately, this project will output a detailed operating procedure documenting the experimental techniques and data processing routines required to perform particle identification and analysis by laser ablation MC-ICP-MS, that can be shared with IAEANWAL laboratories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Development of Gamma Background Radiation Digital Twin with Machine Learning Algorithms: Application of Unsupervised Machine Learning to Detection of Anomalies and Nuisances in Gamma Background Radiation Environmental Screening Data

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. The measurement data is a 2D matrix, where one dimension is gamma ray energy, and the other dimension is the number of measurements or total time. In principle, gamma radiation sources can be detected and identified from the measured data by their unique spectral lines. Detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. The objective of this work is to explore unsupervised machine learning (ML) algorithms for development of a digital twin of gamma radiation background, and for detection and identification of weak nuisances and anomalies events in the presence of highly fluctuating background. In one segment of work, we developed a gamma background estimation model using a Longshort term memory (LSTM) network for one-step CPS time series prediction. The LSTM model was validated with two data sets of measurements from two independent NaI detectors positioned on a mobile platform. The data sets contained background radiation only and no orphan isotope sources. The LSTM model was constructed and tested using data from one of the detectors. Performance of the LSTM model was validate through one-step prediction of CPS time series of another NaI detector without re-training. This approach allows to create a digital twin for nuclear background estimation. Using LSTM, it could be possible to detect a source through subtraction of the estimated counts from the measured background. In another segment of work, we investigated detection of gamma emitting sources in the presence of complex background using unsupervised machine learning. Spectral lines of isotopes are difficult to observe in one-second measurements. Averaging over the entire measurement campaign data set reveals spectral lines of most common background isotopes. Spectral lines of orphan sources, which might appear only in a few measurements during the campaign, will be washed out if averaging is performed over the entire measurement data set. The approach we have explored consists of extracting one-second measurements containing weak spectral features through data clustering. Averaging one-second spectra in a cluster should reveal the presence of anomaly sources. We created two ML models using K-means clustering and Neural Network Self-organizing Map (SOM). Performance of these ML models was benchmarked using search data. One data set contained 137 Cs source, and another dataset contained 131 I source.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Application of Gaussian Bayes classifier to differentiate chlorine-based chemical agents

The Portable Isotopic Neutron Spectroscopy (PINS) is a commercialized system developed by Idaho National Laboratory (INL) to examine chemical warfare agents (CWA) non-destructively, utilizing Prompt Gamma Neutron Activation Analysis (PGNAA) techniques. The PINS system takes advantage of a high-resolution gamma-ray spectrum from a mechanically-cooled high-purity germanium (HPGe) detector. One of the difficult technical challenges is to discriminate the chlorine-based chemical agents. Especially, CN, CNB, CNS and CG have similar chemical compositions to make it hard to discriminate them with a higher confidence. Current identification algorithms for PINS systems with 252-Cf sources have been improved and updated continuously as more field data became available, and new algorithms was studied to complement the current algorithms by adopting the Gaussian Bayes classifier. These new algorithms were intended to be applied to a subset of chlorine-based chemical agents, and their main goal is discriminate CN, CNB, CNS and CG with their ratios of the chlorine neutron inelastic 1763keV peak to the chlorine thermal neutron capture 1959keV peak, which is referred to as the “Cl i/c” or “clic” ratio in this study. The Cl i/c ratios were assumed to follow Gaussian distributions with the means and the standard deviations unique to their corresponding chemical agents. The prior probabilities of these four chemical agents were optimized with a collection of field data to achieve the best performance in terms of precision or positive predictive value (PPV). Finally, their posterior probabilities as functions of the Cl i/c ratio were implemented in the current version of PINS analysis software in order to be tested with more field data.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Mechanistic roles of metal- and ligand-protonated species in hydrogen evolution with [Cp*Rh] complexes

Protonation reactions involving organometallic complexes are ubiquitous in redox chemistry and often result in the generation of reactive metal hydrides. However, some organometallic species supported by η 5 -pentamethylcyclopentadienyl (Cp*) ligands have recently been shown to undergo ligand-centered protonation by direct proton transfer from acids or tautomerization of metal hydrides, resulting in the generation of complexes bearing the uncommon η 4 -pentamethylcyclopentadiene (Cp*H) ligand. Here, time-resolved pulse radiolysis (PR) and stopped-flow spectroscopic studies have been applied to examine the kinetics and atomistic details involved in the elementary electron- and proton-transfer steps leading to complexes ligated by Cp*H, using Cp*Rh(bpy) as a molecular model (where bpy is 2,2′-bipyridyl). Stopped-flow measurements coupled with infrared and UV-visible detection reveal that the sole product of initial protonation of Cp*Rh(bpy) is [Cp*Rh(H)(bpy)] + , an elusive hydride complex that has been spectroscopically and kinetically characterized here. Tautomerization of the hydride leads to the clean formation of [(Cp*H)Rh(bpy)] + . Variable-temperature and isotopic labeling experiments further confirm this assignment, providing experimental activation parameters and mechanistic insight into metal-mediated hydride-to-proton tautomerism. Spectroscopic monitoring of the second proton transfer event reveals that both the hydride and related Cp*H complex can be involved in further reactivity, showing that [(Cp*H)Rh] is not necessarily an off-cycle intermediate, but, instead, depending on the strength of the acid used to drive catalysis, an active participant in hydrogen evolution. Identification of the mechanistic roles of the protonated intermediates in the catalysis studied here could inform design of optimized catalytic systems supported by noninnocent cyclopentadienyl-type ligands.

08 HYDROGEN↗
DOE OSTI2024

Reduction of CO to Methanol with Recyclable Organic Hydrides

We report the reaction steps for the selective conversion of a transition metal carbonyl complex to a hydroxymethyl complex that releases methanol upon irradiation with visible light have been successfully quantified in acetonitrile solution with dihydrobenzimidazole organic hydride reductants. Dihydrobenzimidazole reductants have been shown to be inactive toward H 2 generation in the presence of a wide range of proton sources and have been regenerated electrochemically or photochemically. Specifically, the reaction of cis-[Ru(bpy) 2 (CO) 2 ] 2+ (bpy = 2,2'-bipyridine) with one equivalent of a dihydrobenzimidazole quantitatively yields a formyl complex, cis-[Ru(bpy) 2 (CO)(CHO)] + , and the corresponding benzimidazolium on a seconds time scale. Kinetic experiments revealed a first-order dependence on the benzimidazole hydride concentration and an unusually large kinetic isotope effect, inconsistent with direct hydride transfer and more likely to occur by an electron transfer-proton-coupled electron transfer (EΤ-PCET) or related mechanism. Further reduction/protonation of cis-[Ru(bpy) 2 (CO)(CHO)] + with two equivalents of the organic hydride yields the hydroxymethyl complex cis-[Ru(bpy) 2 (CO)(CH 2 OH)] + . Visible light excitation of cis-[Ru(bpy) 2 (CO)(CH 2 OH)] + in the presence of excess organic hydride was shown to yield free methanol. Identification and quantification of methanol as the sole CO reduction product was confirmed by 1 H NMR spectroscopy and gas chromatography. The high selectivity and mild reaction conditions suggest a viable approach for methanol production from CO, and from CO 2 through cascade catalysis, with renewable organic hydrides that bear similarities to Nature's NADPH/NADP + .

14 SOLAR ENERGY↗
DOE OSTI2022

Magnetic Interactions of the Centrosymmetric Skyrmion Material Gd 2 PdSi 3

The experimental realization of magnetic skyrmion crystals in centrosymmetric materials has been driven by theoretical understanding of how a delicate balance of anisotropy and frustration can stabilize topological spin structures in applied magnetic fields. Recently, the centrosymmetric material Gd 2 PdSi 3 was shown to host a field-induced skyrmion crystal, but the skyrmion stabilization mechanism remains unclear. Here, we employ neutron-scattering measurements on an isotopically enriched polycrystalline Gd 2 PdSi 3 sample to quantify the interactions that drive skyrmion formation. Our analysis reveals spatially extended interactions in triangular planes, and large ferromagnetic interplanar magnetic interactions that are modulated by the Pd/Si superstructure. The skyrmion crystal emerges from a zero-field helical magnetic order with magnetic moments perpendicular to the magnetic propagation vector, indicating that the magnetic dipolar interaction plays a significant role. To conclude, our experimental results establish an interaction space that can promote skyrmion formation, facilitating identification and design of centrosymmetric skyrmion materials.

36 MATERIALS SCIENCE↗