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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Enabling Ultralow Volume Analysis with a High-Resolution Ion Mobility Mass Spectrometry Platform

Of all the molecules thought to exist in the universe, it is estimated that researchers only know the chemical structures of 5% of them. Identifying the chemical structures of the remaining 95% has proven extremely challenging because many molecules exhibit low abundance, are contained in small volumes (e.g., <10 nL), do not readily ionize, exhibit similar structures to other molecules, etc. No single analytical technique exists to definitively identify the structure of an unknown molecule, and thus multiple different molecular measurements are typically made (i.e., multi-modal approach). Ion mobility (IMS) and mass spectrometry (MS) are two key tools that researchers use to determine the chemical structures of unknown molecules, and recently high-resolution and ultrahigh resolution IMS-MS instruments have provided greater confidence than ever before. However, HR-IMS-MS instruments typically exhibit low ion utilization efficiency, meaning they require large amounts of sample for an analysis (e.g., >10 µL). Unfortunately, this limitation prohibits the analysis of small volume samples where many unknown molecules exist. Described herein are the efforts made to enable the analysis of ultralow volumes with an HR-IMS-MS platform. A new scanning technique, termed a ‘stuttered traveling wave scan’, was developed as a replacement for the dual-gated scanning technique and works by halting the traveling waves after allowing ions to separate and then repeatedly restarting and stopping the traveling waves to incrementally move ions from the SLIM to the Orbitrap. Ions were stored inside the SLIM while the TWs were stopped, allowing the Orbitrap to perform high-resolution mass analysis. When the Orbitrap was ready, the TWs were restarted for short periods of time (<10 ms) to move ions from the SLIM to the Orbitrap. It was discovered that lower TW amplitudes and speeds than used during IMS separation were required to produce IMS peaks with the highest signal intensities and best resolving powers. The stuttered TW scan was found to produce similar resolutions and signal intensities compared to the dual-gated scanning technique. A new IMS design possessing an intersecting ‘tee’ with a reversible traveling wave was also developed to improve ion utilization efficiency during cyclic operation, which is necessary when only a single IMS spectrum can be acquired, such as when analyzing ultralow volume samples. The new capabilities described in this report lay the groundwork for acquiring HR-IMS-MS spectra of ultralow volume biological samples, such as single cells, where HR-IMS-MS can help elucidate the structures of unknown compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Utah FORGE: High-Resolution DAS Microseismic Data from Well 78-32

This regards a high-resolution DAS microseismic dataset produced by Silixa from Utah FORGE Phase 2C seismic monitoring well 78-32 during stimulation testing of well 58-32. It is a very large dataset and as such it is currently not directly available on GDR. However, it is available for download from the Center for High Performance Computing (CHPC) at the University of Utah using the shell script below. Additional survey information and tips for running the script are available in the attached downloadable Word Document file.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Comparison and validation of the QuEChERSER mega-method for determination of per- and polyfluoroalkyl substances in foods by liquid chromatography with high-resolution and triple quadrupole mass spectrometry

Instances of food contamination with per- and polyfluoroalkyl substances (PFAS) continue to occur globally, but sample preparation and analytical methods are quite limited and often monitor for a small percentage of known PFAS. This study aimed to evaluate, validate, and compare performance of two instruments with the recently developed “quick, easy, cheap, effective, rugged, safe, efficient, and robust” (QuEChERSER) sample preparation mega-method – a method developed to monitor chemicals over a broad range of physicochemical properties. Initial evaluation of the QuEChERSER mega-method for determination of PFAS in food demonstrated recoveries, matrix interferences, and co-extractive removal comparable to (or better than) US Food and Drug Administration (FDA) and USDA Food Safety and Inspection Service (FSIS) methods. Subsequent validation of QuEChERSER in beef, catfish, chicken, pork, liquid eggs, and powdered eggs on a high-resolution mass spectrometer achieved acceptable recoveries (70–120%) and precision (RSDs ≤20%) for all 33 target analytes at the 1 and 5 ng g –1 levels and 67–88% of analytes at the 0.1 ng g –1 level, depending on the matrix. Additional validation was performed by tandem mass spectrometry on a triple quadrupole instrument. This approach provided no non-detects and better recoveries at the 0.1 ng g –1 level than the HRMS method but exhibited more variability at 1 and 5 ng g –1 spiking levels. Analysis of NIST SRMs 1946 and 1947 gave accuracies of 70–117%. Furthermore, these results demonstrate the capability of combining PFAS analysis with a mega-method previously validated for 350 analytes, while collecting non-target data for future retrospective analysis of emerging alternatives with a high-resolution mass spectrometry method.

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

LandScan mosaic enables high-resolution gridded population estimates with explicit uncertainty

Gridded population datasets represent high-resolution distributions of human occupancy, enabling informed decision-making across a broad range of fields. These data products are valuable for assessing environmental risk, urban development, disaster preparedness and resource allocation—areas where accurate population estimates directly enhance policy effectiveness and optimize resource distribution. Despite the importance of gridded population datasets, traditional population modeling approaches often overlook inherent uncertainties in the estimation process. This limitation can create a false sense of certainty in population estimates, potentially leading to flawed decisions by those who rely on the data. To address this methodological gap, we introduce a probabilistic machine learning modeling framework, LandScan Mosaic, that explicitly incorporates uncertainty into the population modeling process. Our approach systematically quantifies uncertainty in three key modeling parameters of the LandScan HD gridded population dataset: building use types, floor counts, and occupancy rates. By employing Monte Carlo simulations, we propagate these uncertainties through the modeling process, yielding probability distributions of population counts in place of deterministic point estimates. We demonstrate the practical application of this framework in Iloilo City, Philippines, using structured decision-making techniques and our probabilistic estimates to identify and prioritize areas most affected by projected flooding, supporting targeted interventions that address both economic and social risks. In doing so, we propose a population-specific approach for incorporating confidence into structured decision making processes. Through a comparative analysis with conventional deterministic approaches and point estimate approaches, including LandScan HD and WorldPop, we evaluate how the incorporation of machine learning and uncertainty influences decision rankings. This research advances population distribution modeling by offering a robust, quantitative approach that explicitly accounts for uncertainty in the underlying data, along with guidance for how users can apply uncertainty in their decision-making.

Environmental sciences↗
DOE OSTI2021

Magnetoelastic coupling and phases in the skyrmion lattice magnet Gd 2 PdSi 3 discovered by high-resolution dilatometry

In this work, we report detailed thermodynamic studies on high-quality single crystals of the centrosymmetric skyrmion-hosting intermetallic Gd 2 PdSi 3 by means of high-resolution capacitance dilatometry in fields up to 15 T which are complemented by specific heat and magnetization studies. Our dilatometric measurements show magnetoelastic effects associated with antiferromagnetic order at T N1 =22.3 K and T N2 =19.7 K, as well as strong field effects in an applied magnetic field of 15 T up to 200 K (150 K) for B ∥ c (B ∥ a*, i.e., B ⊥ c). The data allow us to complete the magnetic phase diagram, including a feature at T * ≈13K below which an additional degree of freedom becomes relevant. The magnetic B vs T phase diagram for the a * axis is also reported. Grüneisen analysis shows the onset of magnetic contributions around 60 K, i.e., well above TN1. Uniaxial pressure dependencies of opposite signs, –1.3 and 0.3 K/GPa, are extracted for the out-of-plane and in-plane directions at T N1 . For T * we obtain ∂T * /∂p c =1.4 K/GPa. In particular we elucidate thermodynamic properties of the recently discovered skyrmion lattice phase and show that it is strongly enhanced by uniaxial pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

XRISM high-resolution X-ray spectroscopy of Cygnus X-1: Orbital and short-term variability of iron absorption

We present the first high-resolution spectroscopy of the black hole high-mass X-ray binary Cygnus X-1 with XRISM, including orbital-phase-resolved analyses and tentative evidence of short-term variability in the Fe K band on second timescales. Using data from the Performance Verification phase in 2024 April, we analyzed spectral variability across orbital phases with the Resolve microcalorimeter and the Xtend CCD imager. The unprecedented resolution of Resolve reveals variability in highly ionized Fe absorption lines. The absorption features show orbital-phase-dependent variability in column density, ionization state, and blueshifted velocity, suggesting structural variations in the focused stellar wind along the line of sight. We also find indications of subtle broadening of the neutral Fe emission profile. In addition, intensity-sorted spectroscopy during dip phases suggests possible variability on timescales of a few seconds in the absorption features, consistent with cooler, denser, and lower-ionized gas clumps. Although the statistical significance is limited, these results hint that the stellar wind and the X-rays from the accretion disk around the black hole may interact on timescales as short as a few seconds. These XRISM results constrain wind-fed accretion in Cyg X-1 and highlight Resolve’s capability to probe plasma environments in high-mass X-ray binaries.

Astronomy and AstroPhysics↗
DOE OSTI2025

Assessment of Naturally Occurring Radioactive Material (NORM) in Illicit Drugs Using High-Resolution Gamma Spectroscopy

This report documents results assessing the presence of Naturally Occurring Radioactive Material (NORM) in illicit drugs using high-resolution gamma spectroscopy. Specifically, high-purity germanium (HPGe) measurements were conducted at the Drug Enforcement Administration (DEA) South Central Laboratory on 11 samples (referred to as exhibits) including cocaine, fentanyl, heroin, ketamine, LSD, marijuana, methamphetamines, psilocybin mushrooms, and synthetic cannabinoids.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

A High-resolution Regional Wave Resource Characterization For The U.S. West Coast

Objectives/Scope: Wave resource characterization is a critical step for wave energy converter deployment in the coastal ocean and relies on long-term, high-resolution wave datasets. This study presents a detailed modeling study of the wave resource along the U.S. West Coast (Washington, Oregon, and California), a coastal region that was identified with high wave energy potential in earlier studies. Methods, Procedures, Process: The wave hindcast covers a 32-year period from 1979 to 2010 and is based on a multi-resolution, unstructured-grid SWAN model framework. Model configuration closely follows and meets the requirements recommended by the International Electrotechnical Commission Technical Specification (IEC TS) for wave energy resource assessment and characterization (Class 2 - feasibility study). The model domain covers the entire U.S. Exclusive Economic Zone (EEZ) in the West Coast and has a spatial resolution varying from ~300 m in the nearshore region (20 km from the shoreline) to ~2500 m within the EEZ and ~5000 m at the open boundary, which extends beyond the EEZ. The model was forced by hourly 2-D wave spectra produced by a two-way nested WaveWatch III model, which covers the global ocean domain and the broader U.S. West Coast region domain with spatial resolutions of 0.5 degree and 10 arc-minutes, respectively. Both wave models are forced by hourly, 0.5-degree wind forcing obtained from NCEP’s Climate Forecast System Reanalysis (CFSR) product. Results, Observations, Conclusions: The standard model output for the SWAN model includes 3-hourly output for the six IEC wave resource parameters (e.g., omnidirectional wave power) at each grid point and hourly 2-D spectra at more than 50 NDBC buoys. Extensive model validation was achieved by comparing the six model-predicted IEC parameters with those derived from field observations at representative NDBC buoys. The error statistics indicated the model’s satisfactory performance. Further analyses were conducted to systematically evaluate the temporal and spatial distributions of wave energy potential and wave climate along the U.S. West Coast. Results suggest that Washington and Oregon coasts have similar nearshore wave resource, which is significantly higher than resources in Southern California. Strong seasonal variations are also observed, e.g., high wave energy tends to occur in the winter months. In summary, this study produced the first high-resolution, comprehensive dataset on wave energy distribution along the U.S. West Coast. Novel/Additive Information: The results are being used by the National Renewable Energy Laboratory to update the MHK Atlas, which was originally derived from NOAA’s 4-arc-minute WaveWatch III model output. In addition, the monthly averaged wave energy climatology dataset can be readily shared to support a variety of research and application efforts within the EEZ of the U.S. West Coast.

Wang, Taiping↗
DOE OSTI2024

A robust synthetic data generation framework for machine learning in high-resolution transmission electron microscopy (HRTEM)

Machine learning techniques are attractive options for developing highly-accurate analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully implementing such machine learning tools can be difficult due to the challenges in procuring sufficiently large, high-quality training datasets from experiments. In this work, we introduce Construction Zone, a Python package for rapid generation of complex nanoscale atomic structures which enables fast, systematic sampling of realistic nanomaterial structures and can be used as a random structure generator for large, diverse synthetic datasets. Using Construction Zone, we develop an end-to-end machine learning workflow for training neural network models to analyze experimental atomic resolution HRTEM images on the task of nanoparticle image segmentation purely with simulated databases. Further, we study the data curation process to understand how various aspects of the curated simulated data—including simulation fidelity, the distribution of atomic structures, and the distribution of imaging conditions—affect model performance across three benchmark experimental HRTEM image datasets. Using our workflow, we are able to achieve state-of-the-art segmentation performance on these experimental benchmarks and, further, we discuss robust strategies for consistently achieving high performance with machine learning in experimental settings using purely synthetic data. Construction Zone and its documentation are available at https://github.com/lerandc/construction_zone.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Recent enhancements in the performance of the Orion high-resolution x-ray spectrometers

During the past few years, the Orion high-resolution x-ray spectrometers have been successful tools for measuring x-ray spectra from plasmas generated in the Orion laser facility. Duplicate spectrometers also operate successfully at the Livermore EBIT-I and SuperEBIT electron beam ion traps for measuring x-ray polarization. We have recently implemented very high-quality, optically bonded, spherically bent quartz crystals to remove the structure in the x-ray image that had been observed in earlier measurements. The structure had been caused by focusing defects and limited the accuracy of our measurements. In this work, we present before and after images that show a drastic improvement. We, furthermore, have implemented a spherically bent potassium acid phthalate (KAP) crystal on one of our spectrometers. The KAP crystal was prepared in a similar fashion, and we present measurements of the N Ly-β and Ne Lyβ lines taken in first- and second-order reflections at 600 and 1200 eV, respectively. These measurements confirm that KAP crystals can be produced at a quality suitable for extending the spectral coverage to wavelengths longer than those accessible by different quartz crystals, especially those that cover the astrophysically important lines of iron.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Direct observation of oxygen vacancy ordering evolution in cerium oxide at varying concentrations via high-resolution transmission electron microscopy

Under illumination by a 300 keV electron beam, oxygen vacancy ordering structures are induced within cerium oxide grains. Here, our high-resolution transmission electron microscopy (HRTEM) study, supported by image simulation, reveals the evolution of these structures as vacancy concentration increases. The observed fluorite-type superlattice structures are identified as CeO 1.825 , CeO 1.75 , Ce 2 O 3 , displaying a gradient in oxygen vacancy concentration moving away from the grain surface. Correspondingly, the structural sequence transitions from Ce 2 O 3 to CeO 1.75 and then to CeO 1.825 . Without the constraints of surrounding grains, fluorite-type Ce 2 O 3 nanocrystals show a preference for transformation into an A-type trigonal structure. Notably, at temperatures up to 200°C, only the perfect fluorite structure is observed. Structural models were validated through both [110] and [001] projections. Our findings further confirm lattice expansion associated with local oxygen vacancy enrichment, which can be compensated by the formation of stacking faults, where a {111} oxygen plane is lost at defect sites.

Cerium oxide↗
DOE OSTI2025

Informed unsupervised machine learning analysis of dislocation microstructure from high-resolution differential aperture X-ray structural microscopy data

This study leverages high-resolution differential-aperture X-ray structural microscopy (DAXM) to probe the local dislocation structure in deformed 304L-stainless steel at small strain, by measuring the lattice rotation and deviatoric elastic strain with a sub-micron resolution. For a single grain in a polycrystalline specimen, the measured lattice rotation field over the measured volume exhibited a multimodal distribution while the deviatoric elastic strain showed a single-mode distribution. An unsupervised Cauchy mixture machine learning model was developed to resolve the multimodal distribution of the lattice rotation. By mapping the lattice rotation data associated with each Cauchy peak in the model back onto the measured volume, we identify contiguous regions of the crystal rotated near the average values corresponding to the peaks of the overall rotation distribution. These regions represent the grain subdivision in the microstructure. Finally, the dislocation density tensor was also computed and its norm was laid over the rotation field to detect the subgrain boundaries. This step provided a validation of the Cauchy mixture model for the analysis of the lattice rotation distribution. The current study highlights the integration of advanced X-ray microscopy techniques with data-driven analysis methods to uncover detailed microstructure scales in deformed crystals.

Machine learning; Lattice rotation; High-energy X-↗
DOE OSTI2024

Field Validation of MVA Technology for Offshore CCS: Novel Ultra-High-Resolution 3D Marine Seismic Technology (P-Cable) (Final Report)

The objectives of the proposed study were to deploy and validate a specific monitoring technology, high-resolution 3D marine seismic (HR3D), appropriate for large-demonstration and commercial-scale offshore CCS sites. The project accomplished successful acquisition two HR3D seismic surveys. The first HR3D dataset was over the offshore injection site of the Tomakomai, Japan integrated pilot CCS project, which at the time of survey acquisition was actively injecting CO 2 . The first survey also represented a successful international collaboration between the DOE NETL program and Japan’s national CCS program and was the first successful acquisition and use of HR3D over an active CO 2 injection site (Meckel, Feng et al. 2019). The Tomakomai HR3D survey successfully tested a novel 4-streamer HR3D system array in which, for the first time, no cross-cable (aka “P-Cable”) was utilized and only four GeoEel streamers were used instead of the standard 12-streamer configuration. Consequently, this was not, strictly speaking, a deployment of the “P-Cable” system of (Planke and Berndt 2004) but rather a modified version, thereof, and it is the first known demonstration of the modified system configuration. One very positive outcome from the Japanese collaboration earlier in the project was the ability to learn from the Japanese how they used tail buoys with GPS to determine the position of the seismic source and receivers in time and space. Based on that experience, GCCC designed and built six GPS receivers that could be used to position the streamer receivers and the seismic source via tail buoys. A fundamental advance that was made on the original design, was the ability to directly power the tail buoy GPS units and transfer data through the streamers (i.e., vs. the batteries used at Tomakomai). The bulkiness of the GPS batteries caused drag and episodic surging of the buoys, which affected data quality by lifting up the tail end of the streamers so the receivers were not at the same depth. The units were tested onshore for accuracy and functionality, and the design was subsequently and successfully tested in marine acquisition mode during the SLP survey acquisition. The marine acquisition test and survey satisfied Subtasks 2.2.2, Novel Positioning Technology Selection and Subtask 2.2.3, Novel Positioning Technology Deployment. Results of the novel positioning technology selection (Subtask 2.2.2) were considered successful and will be incorporated in future HR3D seismic acquisition projects to reduce costs, improve deployment safety at sea, and integrate both seismic and data recording via a single data transfer through the streamers to the recording system. The project also established a permitting process through NETL NEPA compliance, which included an Environmental Assessment in a marine setting and is required for conducting these types of surveys using Federal funding. The permitting process charted a “boilerplate,” which can allow future surveys related to other funded projects to move forward more expeditiously. Future improvements that could be considered are more robust seals on the GPS module and stronger materials (especially joints) on tail buoy fabrication. These would increase fixed costs, but would be advisable and probably more economic long-term if multiple HR3D surveys are planned. Project Accomplishments include: • Pre-survey Sensitivity Study • Marine geochemistry methods and data analysis • Successful HR3D seismic dataset acquired @ Tomakomai active CO 2 injection marine site • Developed advanced seismic processing techniques • No NRMS anomalies detected in overburden; Demonstration of containment • Repeatability study • Second survey collected @ San Luis Pass, TX • 4D application using positioning techniques developed in the project for monitoring were successful

3D seismic GPS positioning↗
DOE OSTI2025

High-resolution spectroscopy of uranium laser-produced plasma using saturated absorption spectroscopy

High-resolution spectroscopy of laser ablation plumes or laser-produced plasmas (LPPs) is valuable for various applications, including measuring crowded spectral features, determining spectroscopic constants, characterizing plasmas, and performing isotopic analysis. However, various line broadening mechanisms in plasmas limit its use for several applications. Here, in this study, we present the use of saturated absorption spectroscopy (SAS) for Doppler-free linewidth analysis in a uranium LPP. We demonstrate that SAS is effective in obtaining Doppler-free Lamb dip profiles with linewidths on the order of ≤ 20 MHz. The effects of saturation on the Doppler-broadened absorption and Lamb dip profiles at different pressures and probe intensities are quantified, and their impact on measurements of plasma properties is discussed. Finally, we show that the linewidths of the Lamb dips can be used for quantitative estimates of pressure and natural broadening in the plasma.

Absorption spectroscopy↗
DOE OSTI2020

A compact, high resolution energy, and emittance diagnostic for electron beams using active plasma lenses

High-resolution (sub-%), single-shot energy distribution, and emittance measurements of GeV-class electron beams generated by laser plasma accelerators (LPAs) have been enabled through the use of an active plasma lens combined with relatively short dipole magnets. This setup, with only 60 cm between the LPA source and the final diagnostic screen, was facilitated through the use of a replenishable ∼20–40 nm thick liquid crystal plasma mirror to separate remnant laser radiation from the electron beam without emittance degradation. As LPAs capable of generating GeV-class electron beams at cm-scale distances become increasingly ubiquitous, there is a need to supplement these compact accelerators with equally compact diagnostics.

Barber, S. K. (ORCID:0000000172518755)↗
DOE OSTI2024

Measurement of small island characteristics using high resolution ECE and CER at DIII-D

Abstract The measurements using the high resolution electron cyclotron emission radiometry and the charge exchange and recombination spectroscopy are processed using analytic formulas to allow for the detection of islands as small as 1.9 cm. In contrast to large, saturated magnetic islands which are relatively well understood to be governed by the loss of bootstrap current inside the island, small islands are less well understood due to the difficulty of their accurate measurement in tokamaks. Here, ‘small’ islands are islands comparable in size to the ion banana width, which can be as small as 0.8 cm at DIII-D. The new measurement methods allow for the detection of small island widths when the predicted increase of mode frequency to match the Doppler shifted ion diamagnetic frequency is observed. Therefore, for the first time, the mode frequency increase can be unambiguously associated to the acceleration of the magnetic island propagation. Such association allows for a further development and validation of the much-debated theory of ion polarization currents, which is thought to govern the small island growth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Yb:Lu 2 O 3 hydrothermally grown single-crystal high-resolution absorption spectra obtained between 8 and 300 K

Here we present new high-resolution absorption data for the important sesquioxide laser material Yb:Lu 2 O 3 for the spectral range of 880–1020 nm, at various temperatures between 8 and 300 K, and for the zero-phonon region from 960 to 990 nm, at temperatures from 8 to 300 K. We have experimentally observed the C 3i (0,1)–(1,3) transition for the first time, located at 880.7 nm at 8 K. Based on high confidence fitting functions to the experimental data, we provide the first complete compilation of all observed electronic and electronic–vibrational transitions. Detailed fitting and plots of the C 2 and C 3i zero-line data show an evolution of the linewidth from being predominantly electronic below about 100 K to being dominated by thermal processes above 100 K. We have also found evidence for a “soft” phase transition between 80 and 100 K that changes the local coordination environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗