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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Isotopic analysis of Nd nanoparticles using single particle MC-ICP-MS: A comparative study with single particle-ICP-TOF-MS

Single particle - inductively coupled plasma - mass spectrometry (SP-ICP-MS) is a powerful technique for characterization of the elemental and isotopic composition of individual particles. In this work, the capabilities of the newest generation of MC-ICP-MS with acquisition rates down to 50 ms were evaluated for single particle analysis, with a focus on isotopic precision achievable on a single-particle level. Nd (NdVO 4 ) nanoparticles (~120 nm in diameter) were used as case study and were first characterized in terms of mass (respective size) and particle number concentration by SP-ICP-TOF-MS and then by SP-MC-ICP-MS for isotopic precision. For the isotopic ratio measurements, the MC-ICP-MS performance was compared to the ICP-TOF-MS and it was found that the isotope ratio precision was increased (R 2 between 0.98 and 0.99) compared to ICP-TOF-MS (R 2 between 0.88 and 0.97). The accuracy attained on a single particle level, was compared to bulk digestion followed by MC-ICP-MS analysis, and the SP-MC-ICP-MS technique was able to determine the particle population average to be <4 %, percent relative differences for the 142 Nd/ 144 Nd, 143 Nd/ 144 Nd, 145 Nd/ 144 Nd, 146 Nd/ 144 Nd, and 148 Nd/ 144 Nd ratios The detection limit for the SP-MC-ICP-MS approach was also assessed. Here, when utilizing an all Faraday-cup based detection scheme the determined LOD for the measurements was 0.2fg for Nd, per particle. Based on these results, the newest generation of MC-ICP-MS has demonstrated its utility for performing SP measurement, particularly when high precision isotopic determination is warranted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chiral Spectroscopy of Nanostructures

Chirality is ubiquitous in the universe and in living creatures over detectable length scales from the subatomic to the galactic, as exemplified in the two extremes by subatomic particles (neutrinos) and spiral galaxies. Between them are living creatures that display multiple levels of chirality emerging from hierarchically assembled asymmetric building blocks. Not too far from the bottom of this pyramid are the foundational building blocks with chiral atomic centers on sp 3 carbon atoms exemplified by L-amino acids and D-sugars that are self-assembled into higher-order structures with increasing dimensions forming highly complex, amazingly functional, and energy-efficient living systems. The organization and materials employed in their construction inspired scientists to replicate complex living systems via the self-assembly of chiral components. Multiple studies pointed to unexpected and unique electromagnetic properties of chiral structures with nanoscale and microscale dimensions, including giant circular dichroism and collective circularly polarized scattering that their constituent units did not possess. To address the wide variety of chiral geometries observed in continuous materials, singular particles, and their complex systems, multiple analytic techniques are needed. Simultaneously, their spectroscopic properties create a pathway to multiple applications. For example, mirror-asymmetric vibrations at chiral centers formed by sp 3 carbon atoms lead to optical activity for the infrared (IR) wavelength regions. At the same time, understanding the optical activity in, for example, the IR region enables biomedical applications because multiple modalities of biomedical imaging and vibrational optical activity (VOA) of biomolecules are known for IR range. In turn, VOA can be realized in both absorption and emission modalities due to large magnetic transition moments, as vibrational circular dichroism (VCD) or Raman optical activity (ROA) spectroscopy. In addition to the VOA, in the range of longer wavelengths, lattice vibrational mode or phononic behavior occurs in chiral crystals and nanoassemblies, which can be readily detected by terahertz circular dichroism (TCD) spectroscopy. Meanwhile, chiral self-assembly can induce circularly polarized light emission (CPLE) regardless of the existence of chirality in coassembled fluorophores. The CPLE from self-assembled chiral materials is particularly interesting because the CPLE can originate from both circularly polarized luminescence and circularly polarized scattering (CPS). Furthermore, because self-assembled nanostructures often exhibit stronger optical activity than their building blocks owing to dimension and resonance effects, the optical activity of single assembled nanostructures can be investigated by using microscopic technology combined with chiral optics. Here, we describe the state of the art for spectroscopic methods for the comprehensive analysis of chiral nanomaterials at various photon wavelengths, addressed with special attention given to new tools emerging both for materials with self-organized hierarchical chirality and single-particle spectroscopy.

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

Lead Isotope Fingerprinting of Nanoscale Mineral Particles via Single Particle Inductively Coupled Plasma Mass Spectrometry

Determining lead (Pb) isotopic ratios is of broad interest across chemical disciplines for source tracing and age determinations, but the technique is inherently limited when multiple sources of Pb are present in a single sample. Single particle methods offer a solution to directly resolve multiple distinct isotopic ratios within individual samples. In this study, single particle inductively coupled plasma-mass spectrometry (spICP-MS) was performed using time-of-flight (TOF) and multicollector (MC)-based platforms to measure the Pb isotopic composition of individual nanoscale particles. Distinct Pb isotope ratios were measured in particles from four powdered galena samples of different origins (average single-particle 206Pb/207Pb ratios ranging from 0.91 to 1.28) using both the TOF and the MC-based platforms. Differentiation of galena particles in a mixture (liberated grains and those hosted in a silicate matrix) was possible due to detecting their unique multielemental fingerprints. The differing behavior of the two galena samples during digestion was investigated; undigested galena particles trapped within silicate minerals were detected using spICP-MS, which has implications for Pb recovery in bulk-scale isotopic analysis. The multinuclide detection capability of the ICP-TOF-MS instrument allowed for the simultaneous detection of secondary constituent elements within the nanoparticles and the identification of multiple populations of isotopically distinct Pb-bearing particles in a copper ore sample, whereas the increased sensitivity of the MC instrument enabled quantification of 204Pb, allowing differentiation using multiple isotopic ratios. A single particle isotope ratio analysis module was developed within an open-source spICP-TOF-MS data processing platform, enabling its adoption across chemical disciplines.

Goodman, Aaron J. [University of Montreal, Quebec,↗
DOE OSTI2026

Single-Particle Isotopic Analysis Using the Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Coupled to an Orbitrap Mass Spectrometer

Isotope ratio (IR) determinations on individual particles can provide valuable information relative to the sample, including processing and dating, which could be valuable to geological and nuclear material analysis communities. In comparison to “bulk” measurements, in which all particle information is lost and homogenized within a sample, “particle” measurements allow for fingerprinting and can provide unique insights related to the sample’s nano- and micro- compositions. Furthermore, the complex nature of particles, with potential isobaric interferences from either the matrix or other elements within the same particle, poses a significant analytical challenge for conventional mass spectrometry platforms employed for elemental analysis due to their limited mass resolution. Presented here is the first demonstration of an ultrahigh resolution method for single particle (SP) isotopic analysis using the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled to an Orbitrap mass spectrometer and FTMS Booster X2T acquisition/processing system. For proof of concept, well-characterized CeO 2 microparticles with a nominal diameter of 1.0 μm were analyzed at a mass resolution of ∼330,000. Important instrumental parameters were optimized to enable the detection of single particles. The 142 Ce/ 140 Ce ratio of individual particles and the population average were determined and compared to an SP inductively coupled plasma time-of-flight mass spectrometry (ICP-TOF-MS) analysis. The isotopic accuracy and precision were determined by two methods and found to be in good agreement with the SP-ICP-TOF-MS method, with the linear regression slope method providing a more accurate ratio, showing a ∼1.4% relative difference from the ratio determined from a particle digest. The encouraging performance of the method was further supported by a determined detection limit of 2.9 fg ( 142 Ce). The developed method is anticipated to overcome many of the challenges posed by isobaric interferences encountered in conventional mass spectrometry techniques when analyzing real-world samples for particle isotopic composition.

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

Hydroxymethanesulfonate (HMS) Formation during Summertime Fog in an Arctic Oil Field

Hydroxymethanesulfonate (HMS) is produced in the aqueous-phase reaction of formaldehyde (HCHO) and sulfur dioxide (SO 2 ) and has been proposed as a significant contributor to midlatitude wintertime pollution events. In this work, we report HMS detection within submicrometer atmospheric aerosols during frequent late summer, regional fog events in an Arctic oil field. The number fraction of individual particles containing HMS increased during fog periods, consistent with aqueous-phase formation. The single-particle mass spectra showed the primary particle signature (oil field emissions), plus secondary oxidized organics and sulfate, consistent with aqueous-phase processing. HMS mass concentrations ranged from below the ion chromatography limit of detection (0.3 ng/m 3 ) to 1.6 ng/m 3 , with sulfate concentrations of 37-222 ng/m 3 . HCHO and SO 2 measurements suggest that the fog HMS production rate is ~10 times higher in the oil fields than in the upwind Beaufort Sea. Aqueous-phase reactions of local oil field emissions during frequent summertime regional fog events likely have downwind impacts on Arctic aerosol composition. The potential for fog-based HMS production was estimated to be an order of magnitude higher in Fairbanks and Anchorage, AK, than in the oil fields and may explain the missing organosulfate source contributing to Fairbanks air quality.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Microstructure-dependent particulate populations in ODS steels revealed by single-particle ICP-TOF-MS

In this work, we evaluated the ability of single-particle inductively coupled plasma time-of-flight mass spectrometry (SP-ICP-TOF-MS) to characterize particulates generated from 300 series stainless steels and oxide dispersion–strengthened (ODS) steels. Particulates were produced using two different rotary tools (cutting disk and grinding bit) to assess the influence of particle generation on effluent particulates. Across all materials and preparation techniques, SP-ICP-TOF-MS detected a substantial population of particles containing the expected constituent elements, with average compositions closely matching the nominal alloy values. A secondary population of Y-bearing particles was evident in ODS steels; their formation is strongly favored in particulates generated using the grinding bit. Specifically, in PM2000, Y-bearing particles were predominantly colocated with Al, whereas in 14YWT, Y-bearing particles were less frequently Fe-free but showed stronger colocation with Ti. These trends are consistent with the known microstructural differences between Y–Al–O oxide particles in PM2000 and finer Y–Ti–O nanoclusters in 14YWT. Together, these results demonstrate that SP-ICP-TOF-MS can resolve distinct particulate populations in complex, multicomponent steels at the femtogram mass scale, enabling particle-resolved insight into microstructure-driven phase separation and preparation-dependent particle generation.

Brubaker, Zach E. [Oak Ridge National Laboratory (↗
DOE OSTI2022

Single electron in a storage ring: a probe into the fundamental properties of synchrotron radiation and a powerful diagnostic tool

An experimental study of undulator radiation generated by a single electron was carried out at the Integrable Optics Test Accelerator (IOTA) storage ring at Fermilab. Photons were detected with a single-photon avalanche diode (SPAD) at an average rate of 20 kHz, corresponding to one detection every few hundred revolutions. Events were continuously recorded by a picosecond event timer for as long as 5 minutes at a time. The collected data were used to directly test the predictions of classical Poisson photostatistics. The study was motivated in part by a previous observation of sub-Poissonian statistics in a similar experiment with synchrotron radiation. In addition, we show that the time series of recorded events can be used to study the synchrotron motion of a single electron, yielding dynamical parameters such as the phase jitter of the radiofrequency cavity and the dependence of the synchrotron period on amplitude. Research plans for further experiments are also discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Beam-induced backgrounds measured in the ATLAS detector during local gas injection into the LHC beam vacuum

Inelastic beam-gas collisions at the Large Hadron Collider (LHC), within a few hundred metres of the ATLAS experiment, are known to give the dominant contribution to beam backgrounds. These are monitored by ATLAS with a dedicated Beam Conditions Monitor (BCM) and with the rate of fake jets in the calorimeters. These two methods are complementary since the BCM probes backgrounds just around the beam pipe while fake jets are observed at radii of up to several metres. In order to quantify the correlation between the residual gas density in the LHC beam vacuum and the experimental backgrounds recorded by ATLAS, several dedicated tests were performed during LHC Run 2. Local pressure bumps, with a gas density several orders of magnitude higher than during normal operation, were introduced at different locations. The changes of beam-related backgrounds, seen in ATLAS, are correlated with the local pressure variation. In addition the rates of beam-gas events are estimated from the pressure measurements and pressure bump profiles obtained from calculations. Using these rates, the efficiency of the ATLAS beam background monitors to detect beam-gas events is derived as a function of distance from the interaction point. These efficiencies and characteristic distributions of fake jets from the beam backgrounds are found to be in good agreement with results of beam-gas simulations performed with theFluka Monte Carlo programme.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Neutron-unbound states in 31 Ne

Background: The Island of Inversion near the N = 20 shell gap is home to nuclei with reordered single-particle energy levels compared to the spherical shell model. Studies of 31 Ne have revealed that its ground state has a halo component, characterized by a valence neutron orbiting a deformed 30 Ne core. This lightly-bound nucleus with a separation energy of only S n = 170 keV is expected to have excited states that are neutron unbound. Purpose: The purpose of this experiment was to investigate the low-lying excited states in 31 Ne that decay by the emission of a single neutron. Methods: An 89 MeV/u 33 Mg beam impinged on a segmented Be reaction target. Neutron unbound states in 31 Ne were populated via a two-proton knockout reaction. The 30 Ne fragment and associated neutron from the decay of 31 Ne were detected by the MoNA-LISA-Sweeper experimental setup at the National Superconducting Cyclotron Laboratory. Invariant mass spectroscopy was used to reconstruct the two-body decay energy ( 30 Ne + n). Results: The two-body decay energy spectrum exhibits two features: a low-lying peak at 0.30 ± 0.17 MeV and a broad enhancement at 1.50 ± 0.33 MeV, each fit with an energy-dependent asymmetric Breit-Wigner line shape representing a resonance in the continuum. Accompanying shell model calculations using the FSU interaction within NuShellX, combined with cross-section cal culations using the eikonal reaction theory, indicate that these peaks in the decay energy spectrum are caused by multiple resonant states in 31 Ne. Conclusions: In this study, excited states in 31 Ne were observed for the first time. Transitions from calculated shell model final states in 31 Ne to bound states in 30 Ne are in good agreement with the measured decay energy spectrum. Cross-section calculations for the two-proton knockout populating 31 Ne states as well as spectroscopic factors pertaining to the decay of 31 Ne into 30 Ne are used to examine the results within the context of the shell model expectations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Marine aerosol generation experiments in the High Arctic during summertime

The rapidly warming Arctic has transitioned to thinner sea ice which fractures, producing leads. Few studies have investigated Arctic sea spray aerosol (SSA) produced from open ocean, leads, and melt ponds, which vary in salinity and organic and microbial community composition. A marine aerosol reference tank was deployed aboard an icebreaker to the Arctic Ocean during August–September 2018 to study SSA generated from locally collected surface waters. Aerosol generation experiments were carried out using water collected from the marginal ice zone, a human-made hole in sea ice near the North Pole, and both lead and melt pond water during an ice floe drift period. Salinity, chlorophyll a, organic carbon, nitrogen, and microbial community composition were measured. Eukaryotic plankton and bacterial abundance were elevated in experimental water from the marginal ice zone, but the relative contributions from major eukaryotic taxonomic groups varied little across the experiments. The chemical composition of individual SSA particles was analyzed using Raman microspectroscopy and computer-controlled scanning electron microscopy with energy-dispersive X-ray spectroscopy. Individual sea salt aerosol, primary organic aerosol, and mineral dust particles were observed. Sea salt aerosol constituted 44–95% of individual submicrometer and 68–100% of supermicrometer particles, by number, generated during each experiment. Carbon was detected in 85%, by number, of the individual sea salt particles, with visible organic coatings. Carbohydrates were detected in 72% of particles, by number, with smaller contributions from long-chain fatty acids (13%) and siliceous material (15%). SSA generated from melt pond water contained only long-chain fatty acids and siliceous material. Quantification of the ice-nucleating activity showed that locally produced SSA may define the High Arctic background ice-nucleating particle population, but cannot account for the peak atmospheric concentrations observed. As the Arctic warms, the increasing SSA emissions have a complex dependence on changing biological and physical processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

3D Tracking of a Single Electron in IOTA

High-resolution observations of single-particle dynamics have potential as a powerful tool in the diagnostics, tuning and design of storage rings. We are presenting the results of experiments with single electrons that were conducted at Fermilab’s IOTA ring to explore the feasibility of this approach. A set of sensitive, high-resolution digital cameras was used to detect the synchrotron radiation emitted by an electron, and the resulting images were used to reconstruct the time evolution of oscillation amplitudes in all three degrees of freedom. From the evolution of the oscillation amplitudes, we deduce transverse emittances, momentum spread, damping times, beam energy and estimated residual-gas density and composition. To our knowledge, this is the first time that the dynamics of a single particle in a storage ring has been tracked in all three dimensions. We discuss farther development of a single particle diagnostics that may allow reconstruction of its turn-by-turn coordinates over macroscopic periods of time facilitating ultra-precise lattice diagnostics and direct benchmarking of tracking codes.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Utilizing HYSPLIT for Emergency Response Modeling at SRS

At SRS, emergency responders use a variety of tools to detect, track, and mitigate hazardous material releases into the atmosphere. Two models currently used at SRS are Puff-Plume and the Lagrangian Particle Dispersion Model (LPDM), a Gaussian and Lagrangian model, respectively. A decision has been made to replace LPDM with the more widely-supported Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model for evaluating inhalation and ingestion doses following a release. HYSPLIT is designed to compute complex dispersion and deposition simulation To achieve the implementation of HYSPLIT, we have developed a preliminary UI framework that will allow HYSPLIT to be run on ATG computers without the need for active network connections, thus avoiding the loss of capabilities in the event of a network outage during an emergency.

Earley, Ian↗
DOE OSTI2021

Observations of supermicron-sized aerosols originating from biomass burning in southern Central Africa

During the 3 years of the ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES) campaign, the NASA Orion P-3 was equipped with a 2D stereo (2D-S) probe that imaged particles with maximum dimension (D) ranging from 10 < D < 1280 µm. The 2D-S recorded supermicron-sized aerosol particles (SAPs) outside of clouds within biomass burning plumes during flights over the southeastern Atlantic off Africa's coast. Numerous SAPs with 10 < D < 1520 µm were observed in 2017 and 2018 at altitudes between 1230 and 4000 m, 1000 km from the coastline, mostly between 7–11° S. No SAPs were observed in 2016 as flights were conducted further south and further from the coastline. Number concentrations of refractory black carbon (rBC) measured by a single particle soot photometer ranged from 200 to 1200 cm –3 when SAPs were observed. Transmission electron microscopy images of submicron particulates, collected on Holey carbon grid filters, revealed particles with potassium salts, black carbon (BC), and organics. Energy-dispersive X-ray spectroscopy spectra also detected potassium, a tracer for biomass burning. These measurements provided evidence that the submicron particles originated from biomass burning. NOAA Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) 3 d back trajectories show a source in northern Angola for times when large SAPs were observed. Fire Information for Resource Management System (FIRMS) Moderate Resolution Imaging Spectroradiometer (MODIS) 6 active fire maps showed extensive biomass burning at these locations. Given the back trajectories, the high number concentrations of rBC, and the presence of elemental tracers indicative of biomass burning, it is hypothesized that the SAPs imaged by the 2D-S are examples of BC aerosol, ash, or unburned plant material.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Leveraging machine learning to enhance aerosol classification using Single-Particle Mass Spectrometry

Advancing automated classification of atmospheric aerosols from Single-Particle Mass Spectrometry (SPMS) data remains challenging due to overlapping ion signatures, compositional diversity, and limited labeled data. This study evaluates supervised and semi-supervised learning frameworks to enhance aerosol identification by jointly leveraging labeled and unlabeled spectra. Four models were compared: a supervised Support Vector Machine (SVM), a self-training SVM, a stacked autoencoder classifier, and a stacked autoencoder trained using a temporal-ensembling Mean Teacher approach. All models achieved high and stable accuracies (90.0 %–91.1 %), surpassing previous results on the same dataset (87 %) and matching the performance of state-of-the-art deep learning methods. Despite small global metric differences (≤ 1 %), semi-supervised variants yielded up to 5 %–10 % improvements for compositionally rare particle types – such as soot (0.77 % of spectra, F1-score: 0.93–0.97) and hazelnut pollen (0.98 % of spectra, F1-score: 0.97–1.00) – equating to roughly ∼ 187 additional correctly classified spectra. These gains are scientifically significant, as such rare particles exert disproportionate influence on radiative absorption and ice nucleation processes; their improved detection reduces modeled uncertainties in aerosol absorption optical depth and mixed-phase cloud ice nucleation rates. The models' residual misclassifications (≈ 9 %) largely arise from true spectral overlap among chemically adjacent species (e.g., Na- vs. K-feldspar, coated vs. uncoated feldspars), reflecting physical compositional continuity rather than algorithmic error. Collectively, these findings demonstrate that leveraging unlabeled data to learn robust spectral representations and refine classification enhances both fidelity and interpretability, bridging data-driven analysis with aerosol–climate process understanding.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Melting LHC detectors: a novel search for stopped long-lived particles

Particles at the TeV scale with lifetimes of a year or longer could have been abundantly produced at the LHC yet escaped detection because of backgrounds, and could still be trapped within detector materials. With gluinos in split-supersymmetry as a working example, we show that these trapped particles can be recovered from detector materials once prepared in liquid form, for example, by melting silicon detectors, extracting liquid argon from the electromagnetic calorimeter, or constructing a large water pool near ATLAS or CMS. These liquid samples can then be processed using iterative centrifugation followed by mass spectrometry, enabling single-particle sensitivity in macroscopic samples. This method can potentially discover gluinos up to 3 TeV in mass at the HL-LHC. It can also improve upon existing limits for other long-lived particles. For example, it can discover the stop up to 2 TeV, and will also be sensitive to integer-charged particles in the TeV range.

Gonski, Julia L. [SLAC]↗