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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 OSTI2024

Detection of small drizzle droplets in a large cloud chamber using ultrahigh-resolution radar

Abstract. A large convection–cloud chamber has the potential to produce drizzle-sized droplets, thus offering a new opportunity to investigate aerosol–cloud–drizzle interactions at a fundamental level under controlled environmental conditions. One key measurement requirement is the development of methods to detect the low-concentration drizzle drops in such a large cloud chamber. In particular, remote sensing methods may overcome some limitations of in situ methods. Here, the potential of an ultrahigh-resolution radar to detect the radar return signal of a small drizzle droplet against the cloud droplet background signal is investigated. It is found that using a small sampling volume is critical to drizzle detection in a cloud chamber to allow a drizzle drop in the radar sampling volume to dominate over the background cloud droplet signal. For instance, a radar volume of 1 cubic centimeter (cm3) would enable the detection of drizzle embryos with diameter larger than 40 µm. However, the probability of drizzle sampling also decreases as the sample volume reduces, leading to a longer observation time. Thus, the selection of radar volume should consider both the signal power and the drizzle occurrence probability. Finally, observations from the Pi Convection–Cloud Chamber are used to demonstrate the single-drizzle-particle detection concept using small radar volume. The results presented in this study also suggest new applications of ultrahigh-resolution cloud radar for atmospheric sensing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Relating Molecular Properties to the Persistence of Marine Dissolved Organic Matter with Liquid Chromatography–Ultrahigh-Resolution Mass Spectrometry

Marine dissolved organic matter (DOM) contains a complex mixture of small molecules that eludes rapid biological degradation. Spatial and temporal variations in the abundance of DOM reflect the existence of fractions that are removed from the ocean over different time scales, ranging from seconds to millennia. However, it remains unknown whether the intrinsic chemical properties of these organic components relate to their persistence. Here, we elucidate and compare the molecular compositions of distinct DOM fractions with different lability along a water column in the North Atlantic Gyre. Our analysis utilized ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry at 21 T coupled to liquid chromatography and a novel data pipeline developed in CoreMS that generates molecular formula assignments and metrics of isomeric complexity. Clustering analysis binned 14 857 distinct molecular components into groups that correspond to the depth distribution of semilabile, semirefractory, and refractory fractions of DOM. The more labile fractions were concentrated near the ocean surface and contained more aliphatic, hydrophobic, and reduced molecules than the refractory fraction, which occurred uniformly throughout the water column. These findings suggest that processes that selectively remove hydrophobic compounds, such as aggregation and particle sorption, contribute to variable removal rates of marine DOM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature

Ultrahigh-resolution structures provide unprecedented details about protein dynamics, hydrogen bonding and solvent networks. The reported 0.70 Å, room-temperature crystal structure of crambin is the highest-resolution ambient-temperature structure of a protein achieved to date. Sufficient data were collected to enable unrestrained refinement of the protein and associated solvent networks using SHELXL . Dynamic solvent networks resulting from alternative side-chain conformations and shifts in water positions are revealed, demonstrating that polypeptide flexibility and formation of clathrate-type structures at hydrophobic surfaces are the key features endowing crambin crystals with extraordinary diffraction power.

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

Scaling Ultrahigh-Resolution E3SM Land Model for Leadership-Class Supercomputers

This paper presents advancements in scaling the ultrahigh-resolution E3SM Land Model (uELM) for deployment on leadership-class supercomputers, addressing the increased demand for km-scale Earth system modeling. By focusing on km-scale ELM simulations, we enhance predictive capabilities for climate interactions, facilitating improved responses to climate change impacts on energy systems, agriculture, and water resources. Our approach leverages innovative software architecture optimizations, sophisticated data handling techniques, and advanced parallel processing, achieving strong scalability on two leadership supercomputers (2400 nodes (105,600 cores) on Summit, and 1200 nodes (76,800 cores) on Frontier). Results from extensive scalability assessments on the Summit and Frontier also demonstrate outstanding I/O performance (close to 400 GB/s write throughput) and the model's ability to efficiently handle increasing computational demands. This study not only establishes uELM's capability for high-resolution simulations over vast geographical domains, but also sets a foundation for future Earth system modeling breakthroughs.

Wang, Dali [ORNL] (ORCID:0000000168065108)↗
DOE OSTI2025

Portable Software Environment for Ultrahigh-Resolution ELM Development on GPUs

This paper presents our endeavors in developing the large-scale, ultra-high-resolution E3SM Land Model (uELM), specifically designed for exascale computers furnished with accelerators such as Nvidia GPUs. The uELM is a sophisticated code that substantially relies on High-Performance Computing (HPC) environments, necessitating particular machine and software configurations. To facilitate community-based uELM developments employing GPUs, we have created a portable, standalone software environment preconfigured with uELM input datasets, simulation cases, and source code. This environment, utilizing Docker, encompasses all essential code, libraries, and system software for uELM development on GPUs. It also features a functional unit test framework and an offline model testbed for comprehensive numerical experiments. From a technical perspective, the paper discusses GPU-ready container generations, uELM code management, and input data distribution across computational platforms. Lastly, the paper demonstrates the use of environment for functional unit testing, end-to-end simulation on CPUs and GPUs, and collaborative code development.

E3SM Land Model↗
DOE OSTI2024

Ultrahigh-resolution mass spectrometry data associated with the manuscript “A functional microbiome catalog crowdsourced from North American rivers"

This data package is associated with the publication “A functional microbiome catalog crowdsourced from North American rivers” submitted to Nature (Borton et al., 2024); (https://www.biorxiv.org/content/10.1101/2023.07.22.550117v1). Predicting elemental cycles and maintaining water quality under increasing anthropogenic influence requires understanding the spatial drivers of river microbiomes. However, the unifying microbial determinants governing river biogeochemistry are hindered by a lack of genome-resolved functional insights and sampling across multiple rivers. Here we employed a community science effort to accelerate the sampling of river microbiomes to create the Genome Resolved Open Watersheds database (GROWdb). GROWdb is a publicly available resource that paves the way for watershed predictive modeling and microbiome-based management practices. This resource profiled the identity, distribution, function, and expression of thousands of microbial genomes across rivers covering 90% of United States watersheds. We identified the most cosmopolitan microbiome members, while also revealing local drivers of strain endemism across ecological dimensions. We provide the first evidence that microbial functional trait expression followed the tenets of the River Continuum Concept, suggesting the structure and function of river microbiomes is predictable. The Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS) data were one of many different data types used in establishing the ecological dimensions along which different microbes were detected .This data package only contains the processed FTICR-MS data associated with this manuscript; all other data is accessible via Zenodo (https://zenodo.org/records/8173287), GitHub (https://github.com/jmikayla1991/Genome-Resolved-Open-Watersheds-database-GROWdb), KBase (https://doi.org/10.25982/109073.30/1895615), and NCBI via Bioproject PRJNA946291.This dataset consists of (1) a file-level metadata (flmd) file; (2) a data dictionary (dd) file; (3) a readme; (4) three Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS) processed data files (a ‘data’ file containing peak-by-sample observations, a ‘mol’ file containing peak metadata, and a transformation profile containing transformation-by-sample observations). All files are .csv or .pdf.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Temperature Control of Crystal Optics for Ultrahigh-Resolution Applications

The temperature control of crystal optics is critical for ultrahigh resolution applications such as those used in meV-resolved Inelastic Scattering. Due to the low count rate and long acquisition time of these experiments, for 1-meV energy resolution, the absolute temperature stability of the crystal optics must be maintained below 4 mK to ensure the required stability of lattice constant, thereby ensuring the energy stability of the optics. Furthermore, the temperature control with sub-mK precision enables setting the absolute temperature of individual crystal, making it possible to align the reflection energy of each crystal’s rocking curve in sub-meV resolution thereby maximizing the combined efficiency of the crystal optics. In this contribution, we report the details of an EPICS control system using PT1000 sensors, Keithley 3706A 7.5 digits sensor scanner, and Wiener MPOD LV power supply for the analyzer crystals of the Inelastic X-ray Scattering (IXS) beamline 10-ID at NSLS-II**. We were able to achieve absolute temperature stability below 1 mK and sub-meV energy alignment for several asymmetrically cut analyzer crystals. The EPICS ePID record was used for the control of the power supplies based on the PT1000 sensor input that was read with 7.5 digits accuracy from the Keithley 3706A scanner. The system enhances the performance of the meV-resolved IXS spectrometer with currently a 1.4 meV total energy resolution and unprecedented spectral sharpness for studies of atomic dynamics in a broad range of materials.

Gofron, Kaz↗
DOE OSTI2024

Uniform Diffusion of Cooper Pairing Mediated by Hole Carriers in Topological Sb 2 Te 3 /Nb

Spin-helical Dirac Fermions at a doped topological insulator’s boundaries can support Majorana quasiparticles when coupled with s-wave superconductors, but in n-doped systems, the requisite induced Cooper pairing in topological states is often buried at heterointerfaces or complicated by degenerate coupling with bulk conduction carriers. Rarely probed are p-doped topological structures with nondegenerate Dirac and bulk valence bands at the Fermi level, which may foster long-range superconductivity without sacrificing Majorana physics. Using ultrahigh-resolution photoemission, we report proximity pairing with a large decay length in p-doped topological Sb 2 Te 3 on superconducting Nb. Despite no momentum-space degeneracy, the topological and bulk states of Sb 2 Te 3 /Nb exhibit the same isotropic superconducting gaps at low temperatures. Furthermore, our results unify principles for realizing accessible pairing in Dirac Fermions relevant to topological superconductivity.

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

Ubiquitous coexisting electron-mode couplings in high-temperature cuprate superconductors

In conventional superconductors, electron-phonon coupling plays a dominant role in generating superconductivity. In high-temperature cuprate superconductors, the existence of electron coupling with phonons and other boson modes and its role in producing high-temperature superconductivity remain unclear. The evidence of electron-boson coupling mainly comes from angle-resolved photoemission (ARPES) observations of ~70-meV nodal dispersion kink and ~40-meV antinodal kink. However, the reported results are sporadic and the nature of the involved bosons is still under debate. Here we report findings of ubiquitous two coexisting electron-mode couplings in cuprate superconductors. By taking ultrahigh-resolution laser-based ARPES measurements, we found that the electrons are coupled simultaneously with two sharp modes at ~70meV and ~40meV in different superconductors with different dopings, over the entire momentum space and at different temperatures above and below the superconducting transition temperature. These observations favor phonons as the origin of the modes coupled with electrons and the observed electron-mode couplings are unusual because the associated energy scales do not exhibit an obvious energy shift across the superconducting transition. We further find that the well-known “peak-dip-hump” structure, which has long been considered a hallmark of superconductivity, is also omnipresent and consists of “peak-double dip-double hump” finer structures that originate from electron coupling with two sharp modes. These results provide a unified picture for the ~70-meV and ~40-meV energy scales and their evolutions with momentum, doping and temperature. In conclusion, they provide key information to understand the origin of these energy scales and their role in generating anomalous normal state and high-temperature superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Detection of a two-phonon mode in a cuprate superconductor via polarimetric resonant inelastic x-ray scattering

Recent improvements in the energy resolution of resonant inelastic x-ray scattering experiments (RIXS) at the Cu-L 3 edge have enabled the study of lattice, spin, and charge excitations. Here, we report on the detection of a low-intensity signal at 140 meV, twice the energy of the bond-stretching (BS) phonon mode, in the cuprate superconductor Bi 2 ⁢Sr 2 CaCu 2 ⁢O 8+x (Bi-2212). Ultrahigh-resolution polarimetric RIXS measurements allow us to resolve the outgoing polarization of the signal and identify this feature as a two-phonon excitation. Further, here we study the connection between the two-phonon mode and the BS one-phonon mode by constructing a joint density of states toy model that reproduces the key features of the data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Data and scripts associated with “Riverine dissolved organic matter transformations increase with watershed area, water residence time, and Damköhler numbers in nested watersheds” (v2)

This data package is associated with the publication “Riverine dissolved organic matter transformations increase with watershed area, water residence time, and Damköhler numbers in nested watersheds” submitted to Biogeochemistry by Ryan et al., 2024 (DOI: https://doi.org/10.1007/s10533-024-01169-5). This study aims to investigate fundamental and transferable drivers of dissolved organic matter (DOM) diversity across five nested watersheds within the contiguous United States. DOM diversity was explored using ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). The samples and the unprocessed FTICR-MS data used in this study are publicly available on the Environmental System Science Data Infrastructure for a Virtual Ecosystem (ESS-DIVE) data repository (see DOIs below). The data for the Willamette, Gunnison, Connecticut, and Deschutes basins were collected as part of a collaboration between the Watershed Rules of Life (WROL) project and Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS). The data for the Yakima River basin (YRB) was collected by the PNNL River Corridor SFA. The raw, unprocessed FTICR-MS data with additional (meta)data can be found at doi:10.15485/1895159 for WROL samples and doi:10.15485/1898912 for YRB samples. This data package contains the processed data used in the associated manuscript. This package also contains ancillary geospatial, hydrological, and geochemical information that supports the interpretation of the FTICR-MS data within Ryan et al., 2024. This data package is associated with the GitHub repository found at https://github.com/WHONDRS-Hub/rcsfa-RC4-WROL-YRB_DOM_Diversity. This data package was originally published August 2024. It was updated January 2025 (modified files). See the change history in the readme more details. At the directory level, the data package is comprised of three folders: (1) data, (2) output, and (3) src; and five additional files including the data dictionary (file ending in "_dd.csv”) and file-level metadata (file ending in “_flmd.csv”). The “src” folder contains the scripts used to process the FTICR data, conduct the analyses, and produce the manuscript figures. The inputs for these scripts are in the “data” folder and the returned outputs in the “output” folder. Inputs include temporal and spatial metadata associated with the sampling efforts, processed FTICR data, and total and normalized putative biochemical transformations per sample. Outputs include cleaned and combined data presented as tables, descriptive statistics, and plots. The file-level metadata file lists all files contained in this data package and descriptions for each. The data dictionary describes the units and definitions for each tabular data column or row header.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Data and scripts associated with “Non-random processes impacting organic matter chemistry are maximized in mid-order streams”

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the publication “Non-random processes impacting organic matter chemistry are maximized in mid-order streams” submitted to Limnology and Oceanography (L&O) by Danczak et al. (in review). This package contains data and scripts used to investigate dissolved organic matter (DOM) molecular chemistry and diversification processes across 47 surface-water sampling sites in the Yakima River Basin, Washington, USA, during an August 2021 sampling campaign. The package contains analyses of ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), geochemical measurements, geospatial attributes, molecular diversity, and meta-metabolome ecological null models needed to reproduce the main manuscript results. The underlying field data were pulled from exising data packages at https://doi.org/10.15485/1892052 (Fulton et al., 2022) and https://doi.org/10.15485/1898914 (Grieger et al., 2022). For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. We thank the following organizations for providing access to field locations for sample collection: the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, the Confederated Tribes and Bands of the Yakama Nation, and the Cowiche Canyon Conservatory. Research was conducted under Washington State Parks and Recreation Commission Scientific Research Permit #210901. We are grateful to the Yakama Nation Tribal Council and Yakama Nation Fisheries for their collaboration in facilitating sample collection and ensuring data usage aligns with their values and worldview. This data package contains an R-Markdown file for analyses and five folders: (1) Data, (2) Geospatial Data, (3) Supplemental_Files, (5) Figures_pdf, (4) and src. The Data folder contains tabular inputs and derived files used in the manuscript analysis. The Geospatial Data folder contains climate and water-balance, hydrologic, land-cover, population/regional water-use, stream, topographic, and stream-order attribute CSV files. The src folder contains scripts used to process data, run analyses, and generate figures. The Figures_pdf folder contains manuscript figure outputs. The Supplemental_Files folder contains supplemental analysis products. All files are .csv, .pdf, .html, .png, .R, .Rmd, .svg, or .tre. This data package is associated with the rcfsa-RC2-SPS_Null_Modeling repository found at https://github.com/river-corridors-sfa/rcfsa-RC2-SPS_Null_Modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Data and scripts associated with “Moisture content modulates DOM thermodynamic regulation of oxygen consumption in drying streambed sediments”

This data package is associated with the publication “Moisture content modulates DOM thermodynamic regulation of oxygen consumption in drying streambed sediments” published in Scientific Reports (Garayburu-Caruso et al., 2026). The package contains processed data products and scripts used to quantify how drying and re-inundation of riverbed sediments influence dissolved organic matter (DOM) thermodynamic properties and their relationship with sediment oxygen (O₂) consumption across 33 stream sites in the contiguous United States. The data package contains DOM thermodynamic metrics (e.g., Gibbs free energy of carbon oxidation and thermodynamic efficiency), and O₂ consumption along with watershed-scale climate and land-cover metrics used as explanatory variables in the analyses. Underlying unprocessed and processed ultrahigh-resolution mass spectrometry data, oxygen consumption rates from laboratory moisture-manipulation experiments, within-sample environmental properties, sediment moisture content and contextual field measurements are archived separately at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/2428003 (Laan et al., 2024) and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1923689 (Forbes et al.,2023). A preliminary version of this data package was published in February 2026 at the time of manuscript submission. It was updated in June 2026, at the time of manuscript acceptance, to include the finalized data and additional metadata (readme, data dictionary, and file level metadata). For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. At the top level, the data package is organized into five main folders: (1) Data, (2)Figures, (3) Map, (4) GAM_Reulsts, and (5) src. The Data folder contains analysis-ready tabular files with oxygen consumption rates, DOM thermodynamic properties by site and treatment, site-level environmental variables, watershed-scale metrics, and other derived variables referenced in the manuscript. The Figures folder contains static image files associated with the main text and supplemental figures, while the Map folder includes spatial data and map-layer files used to create the sampling-location map. The GAM results folder contains the results for each of the general additive model (GAM).The src folder contains R scripts used to perform data processing, statistical analyses (including clustering, generalized additive models, and threshold analysis), and figure generation. This data package is associated with a GitHub repository found at https://github.com/WHONDRS-Hub/ECA_DOM_Thermodynamics.

Dissolved organic matter↗
NASA NTRS1979

Quest for ultrahigh resolution in X-ray optics

A program of solar X-ray astronomy using grazing incidence optics has culminated in X-ray images of the corona having one arc second spatial resolution. These images have demonstrated that, in general, X-ray optics can be fabricated to their specifications and can provide the level of resolution for which they are designed. Several aspects of these programs relating to the performance of X-ray optics in regard to resolution, including the point response function, the variation of resolution with off-axis position and the recognition that nearly all solar X-ray images have been film limited, are discussed. By extending the experience gained on this and other programs it is clearly possible to design and fabricate X-ray optics with sub arc sec resolution. The performance required to meet the scientific objectives for the remainder of the century are discussed in relation to AXIO, an Advanced X-Ray Imaging Observatory for solar observations which is proposed for flight on the Space Shuttle. Several configurations of AXIO are described, each of which would be a major step in the quest for ultrahigh-resolution observations.

Davis, J. M.↗
NASA NTRS1990

Instrumentation in astronomy VII; Proceedings of the Meeting, Tucson, AZ, Feb. 13-17, 1990

The topics discussed include IR detectors and instrumentation, detectors, other instrumentation, optical instrumentation, and space instrumentation. Papers are presented on the IR spectrometer/imager for the ESO VLT, the fiber-coupled high-resolution IR array spectrometer for the Kuiper Airborne Observatory, the Balloon-Borne Infrared Telescope for FIR spectroscopy, and a simple transputer-based CCD camera controller. Attention is given to CCD guidance system for William Herschel Telescope, the New Technology Telescope control/acquisition system as a prototype for the VLT, a control system for spincasting 8-m borosilicate honeycomb mirrors, echelle spectrographs for 8-m class telescopes, and fiber spectroscopy at Palomar Observatory. Other papers are on the Kitt Peak National Observatory fiber actuator device, a two-star photoelectric photometer, an ultrahigh-resolution XUV spectroheliograph, an optical monitor for X-ray satellites, and large-format electrographic and array detectors for a space Schmidt imaging telescope.

Crawford, David L.↗
NASA NTRS1992

Photographic films for the Multi-Spectral Solar Telescope Array

The rocketborne Multi-Spectral Solar Telescope Array (MSSTA) uses an array of Ritchey-Chretien, Cassegrain, and Herschelian telescopes to produce ultrahigh-resolution full-disk images of the sun within the soft X-ray, EUV, and FUV ranges. Such imaging of the solar disk and corona out to several solar radii placed great demands on the MSSTA's data storage capabilities; in addition, its photographic films required very low outgassing rates. Results are presented from calibration tests conducted on the MSSTA's emulsions, based on measurements at NIST's synchrotron facility.

Hoover, Richard B.↗