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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Resolved rotation–vibration non-equilibrium with rotational VIPA-CARS

Simultaneous rotational and vibrational temperatures are measured in an N 2 plasma with rotational coherent anti-Stokes Raman scattering (CARS) resolved with a virtually imaged phased array (VIPA)-based spectrometer. A VIPA spectrally separates rotational transitions for each vibrational state, allowing vibrational populations to be directly measured. VIPA-CARS is shown to provide more accurate measurements of non-equilibrium temperatures than grating-resolved rotational CARS. The general characteristics, limitations, and potential uses of VIPA-CARS are discussed.

Steinmetz, S. A. (ORCID:0000000311014662)↗
DOE OSTI2024

Dual-frequency-comb UV spectroscopy with one million resolved comb lines

We present high-resolution dual-comb spectroscopy across two broad UV spectral regions spanning 372–410 nm and 325–342 nm. This is achieved by generating sixth and seventh harmonics, respectively, from a low-noise 2.35 µm Cr:ZnS dual-comb laser system. The sixth harmonic band contains approximately 1,000,000 spectrally resolved comb lines, while the seventh harmonic band—around 550,000 comb lines. With the line spacing of 80 MHz, this corresponds to a resolving power of up to 10 million, offering remarkable spectral resolution.

Muraviev, Andrey↗
DOE OSTI2022

Single Photon Detection with On-Chip Number Resolving Capability

Single photon detection (SPD) plays an important role in many forefront areas of fundamental science and advanced engineering applications. In recent years, rapid developments in superconducting quantum computation, quantum key distribution, and quantum sensing call for SPD in the microwave frequency range. We have explored in this LDRD project a new approach to SPD in an effort to provide deterministic photon-number-resolving capability by using topological Josephson junction structures. In this SAND report, we will present results from our experimental studies of microwave response and theoretical simulations of microwave photon number resolving detector in topological Dirac semimetal Cd 3 As 2 . These results are promising for SPD at the microwave frequencies using topological quantum materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Developing a Continuous Nuclear Data Evaluation Method for the Resolved and Unresolved Resonance Regions With FITAPI and SAMMY [Poster]

SAMMY is an R-matrix Bayesian fitting program used in the analysis of nuclear cross section data. SAMMY produces separate cross section models in the resolved and unresolved resonance regions. This project develops a new method of continuous evaluation joining both energy regions with FITAPI. Full energy spectrum model introduces cross covariance between physics models allowing more accurate description of uncertainty. Consistency developed between physics models by the use of a unique set of prior parameters. An unresolved region cross section developed with sensitivity to resolved cross section. Incorporation into ORNL FITAPI provides access to greater number of parameter estimation algorithms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Updates to Improve the Evaluated Nuclear Data of Copper Isotopes in the Resolved and Unresolved Resonance Regions

The evaluated nuclear data of the 63,65 Cu isotopes have been updated in the resolved and unresolved resonance energy regions with the goal of improving the fidelity between calculated and measured critical benchmarks. Particular focus was devoted to the 63 Cu(n, γ) cross sections because of their large sensitivity to the reactivity in the benchmark calculations. By focusing on these cross sections, the set of parameters in both resolved and unresolved resonance regions were fitted to available experimental data. The newly updated evaluations were compared to the currently available ENDF/B-VIII.0 evaluations in reactivity calculations for copper-sensitive integral benchmarks. An initial study of the sensitivity of the benchmarks to the angular distributions was performed, finding it necessary to describe the angular distributions more accurately above 100 keV. This investigation uncovered the need for more accurate data for the 63 Cu(n, γ) cross section above 100 keV. An increase in the capture cross section was found to improve agreement for the considered benchmarks.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

Resolving Lipid Structures for Threat-Agnostic Signatures

Development of threat-agnostic biosignatures is critical for the detection of and response to biological threats that go beyond the historical list-based approach. Lipids are a class of structurally diverse biomolecules that hold great promise as relevant threat-agnostic biosignatures, yet the fundamental challenge of resolving and decoding structural differences among lipids remains an obstacle in the pursuit of signature development. Structural analysis of complex lipids remains stymied due to spectral complexity and the inability to resolve low abundance lipids. To address these challenges, we integrated ozonolysis with ion mobility mass spectrometry (IMS-MS) analysis to determine the structural information for complex lipid species and (2) reduced lipid sample complexity prior to introduction into the IMS-MS using normal phase high pressure liquid chromatography (HPLC) to enable the ozonolysis of low abundance lipids. We applied these new capabilities to define the lipid structures in antimicrobial resistant (AMR) and antimicrobial susceptible (AMS) biothreat organism Yersinia pestis and cells infected with Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) variants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

New dynamic diamond anvil cell for time-resolved radial x-ray diffraction

The dynamic diamond anvil cell (dDAC) is a recently developed experimental platform that has shown promise for studying the behavior of materials at strain rates ranging from intermediate to quasi-static and shock compression regimes. Combining dDAC with time-resolved x-ray diffraction (XRD) in the radial geometry (i.e., with incident x-rays perpendicular to the axis of compression) enables the study of material properties such as strength, texture evolution, and deformation mechanisms. This work describes a radial XRD dDAC setup at beamline P02.2 (Extreme Conditions Beamline) at DESY’s PETRA III synchrotron. Time-resolved radial XRD data are collected for titanium, zirconium, and zircon samples, demonstrating the ability to study the strength and texture of materials at compression rates above 300 GPa/s. In addition, the simultaneous optical imaging of the DAC sample chamber is demonstrated. The ability to conduct simultaneous radial XRD and optical imaging provides the opportunity to characterize plastic strain and deviatoric strain rates in the DAC at intermediate rates, exploring the strength and deformation mechanisms of materials in this regime.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Resolving femtosecond photoinduced energy flow: capture of nonadiabatic reaction pathway topography and wavepacket dynamics from photoexcitation through the conical intersection seam (Final Technical Report)

The dynamics that take place within just tens to hundreds of femtoseconds following the absorption of light by a molecule can play a critical role in how the absorbed energy is directed, allowing it to be used for a specific function or dissipated harmlessly. The form of chemical change that occurs rapidly in these molecules is called a “nonadiabatic electronic transition.” Such transitions are known to mediate energy flow in natural biological systems such as the ultraviolet photoprotection mechanism of DNA and the first step of the human vision response. Understanding how these mechanisms work precisely may help scientists achieve controlled manipulation of solar energy or optical control of a wide range of energy management functions in artificial systems. Experimental methods, however, have not yet allowed a precisely resolved and complete measurement of nonadiabatic electronic transitions. This constitutes a major obstacle to progress in the field. For progress to occur that would inform a wide body of research aiming to efficiently harness the energy of light for practical purposes, it is especially important to benchmark computational models of the molecules undergoing these rapid changes with experimental measurements, in order to learn which models are accurate. With Dept. of Energy funding, we have made strong progress towards establishing a new optical method for experimentally detecting the full nonadiabatic electronic transition. This requires having coordinated pulses of light covering the visible through the mid-infrared range of the electromagnetic spectrum that last only ten femtoseconds. We have developed a new, relatively simple approach for generating such pulses of laser light, and have incorporated them into a time-resolved spectrometer for measuring rapid changes in molecules. These tools can provide the greater precision and new types of data that are needed to benchmark computational models of molecular change and thus to make progress in the field. Our tools were tested on graphene, an excellent solid-state sample for verifying the capabilities and limitations of our instrumentation. The investment made in these tools by the Dept. of Energy Office of Science will allow new fundamental scientific understanding of energy dynamics in molecules in future studies.

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

Efficiently resolving the terrestrial-aquatic interface in E3SM with sub-grid methods to improve coastal simulations (Final Technical Report)

The broad goal of this project was to extend the capabilities of MPAS‐Ocean, the ocean component of DOE’s Energy Exascale Earth System Model (E3SM), to better resolve the hydrodynamics of the terrestrial‐aquatic interface without significantly increasing computing resource requirements. Specifically, our goal was to better resolve the small-scale features across the terrestrial‐aquatic interface which includes the low lying coastal floodplain and a dendritic network of hydraulically efficient channels connected to estuarine systems and back bays, barrier islands and high energy inlets. The processes driving flow across the terrestrial‐aquatic interface include upland and floodplain hydrology, tides, wind and atmospheric pressure (including coastally generated storm surge across continental shelves and within estuaries and bays), wind waves and water temperature and salinity gradients.

58 GEOSCIENCES↗
DOE OSTI2023

Genome-Resolved Metagenomics of Nitrogen Transformations in the Switchgrass Rhizosphere Microbiome on Marginal Lands

Switchgrass (Panicum virgatum L.) remains the preeminent American perennial (C4) bioenergy crop for cellulosic ethanol, that could help displace over a quarter of the US current petroleum consumption. Intriguingly, there is often little response to nitrogen fertilizer once stands are established. The rhizosphere microbiome plays a critical role in nitrogen cycling and overall plant nutrient uptake. We used high-throughput metagenomic sequencing to characterize the switchgrass rhizosphere microbial community before and after a nitrogen fertilization event for established stands on marginal land. We examined community structure and bulk metabolic potential, and resolved 29 individual bacteria genomes via metagenomic de novo assembly. Community structure and diversity were not significantly different before and after fertilization; however, the bulk metabolic potential of carbohydrate-active enzymes was depleted after fertilization. We resolved 29 metagenomic assembled genomes, including some from the ‘most wanted’ soil taxa such as Verrucomicrobia, Candidate phyla UBA10199, Acidobacteria (rare subgroup 23), Dormibacterota, and the very rare Candidatus Eisenbacteria. The Dormibacterota (formally candidate division AD3) we identified have the potential for autotrophic CO utilization, which may impact carbon partitioning and storage. Our study also suggests that the rhizosphere microbiome may be involved in providing associative nitrogen fixation (ANF) via the novel diazotroph Janthinobacterium to switchgrass.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Flap Endonuclease 1 Endonucleolytically Processes RNA to Resolve R-Loops through DNA Base Excision Repair

Flap endonuclease 1 (FEN1) is an essential enzyme that removes RNA primers and base lesions during DNA lagging strand maturation and long-patch base excision repair (BER). It plays a crucial role in maintaining genome stability and integrity. FEN1 is also implicated in RNA processing and biogenesis. A recent study from our group has shown that FEN1 is involved in trinucleotide repeat deletion by processing the RNA strand in R-loops through BER, further suggesting that the enzyme can modulate genome stability by facilitating the resolution of R-loops. However, it remains unknown how FEN1 can process RNA to resolve an R-loop. In this study, we examined the FEN1 cleavage activity on the RNA:DNA hybrid intermediates generated during DNA lagging strand processing and BER in R-loops. We found that both human and yeast FEN1 efficiently cleaved an RNA flap in the intermediates using its endonuclease activity. We further demonstrated that FEN1 was recruited to R-loops in normal human fibroblasts and senataxin-deficient (AOA2) fibroblasts, and its R-loop recruitment was significantly increased by oxidative DNA damage. We showed that FEN1 specifically employed its endonucleolytic cleavage activity to remove the RNA strand in an R-loop during BER. We found that FEN1 coordinated its DNA and RNA endonucleolytic cleavage activity with the 3'-5' exonuclease of APE1 to resolve the R-loop. Our results further suggest that FEN1 employed its unique tracking mechanism to endonucleolytically cleave the RNA strand in an R-loop by coordinating with other BER enzymes and cofactors during BER. Our study provides the first evidence that FEN1 endonucleolytic cleavage can result in the resolution of R-loops via the BER pathway, thereby maintaining genome integrity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Improved Acquisition and Reconstruction for Wavelength-Resolved Neutron Tomography

Wavelength-resolved neutron tomography (WRNT) is an emerging technique for characterizing samples relevant to the materials sciences in 3D. WRNT studies can be carried out at beam lines in spallation neutron or reactor-based user facilities. Because of the limited availability of experimental time, potential imperfections in the neutron source, or constraints placed on the acquisition time by the type of sample, the data can be extremely noisy resulting in tomographic reconstructions with significant artifacts when standard reconstruction algorithms are used. Furthermore, making a full tomographic measurement even with a low signal-to-noise ratio can take several days, resulting in a long wait time before the user can receive feedback from the experiment when traditional acquisition protocols are used. In this paper, we propose an interlaced scanning technique and combine it with a model-based image reconstruction algorithm to produce high-quality WRNT reconstructions concurrent with the measurements being made. The interlaced scan is designed to acquire data so that successive measurements are more diverse in contrast to typical sequential scanning protocols. The model-based reconstruction algorithm combines a data-fidelity term with a regularization term to formulate the wavelength-resolved reconstruction as minimizing a high-dimensional cost-function. Using an experimental dataset of a magnetite sample acquired over a span of about two days, we demonstrate that our technique can produce high-quality reconstructions even during the experiment compared to traditional acquisition and reconstruction techniques. In summary, the combination of the proposed acquisition strategy with an advanced reconstruction algorithm provides a novel guideline for designing WRNT systems at user facilities.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Uncertainty-Guided Prediction Horizon of Phase-Resolved Ocean Wave Forecasting Under Data Sparsity: Experimental and Numerical Evaluation

Accurate short-term wave forecasting is critical for the safe and efficient operation of marine structures that rely on real-time, phase-resolved ocean wave information for control and monitoring purposes (e.g., digital twins). These systems often depend on environmental sensors (e.g., waverider buoys, wave-sensing LIDAR). Challenges arise when upstream sensor data are missing, sparse, or phase-shifted due to drift. This study investigates the performance of two machine learning models, time-series dense encoder (TiDE) and long short-term memory (LSTM), for forecasting phase-resolved ocean surface elevations under varying degrees of data degradation. We introduce the τ-trimming algorithm, which adapts the prediction horizon based on uncertainty thresholds derived from historical forecasts. Numerical wave tank (NWT) and wave basin experiments are used to benchmark model performance under short- and long-term data masking, spatially coarse sensor grids, and upstream phase shifts. Results show under a 50% probability of upstream data loss, the τ-trimmed TiDE model achieves a 46% reduction in error at the most upstream target, compared to 22% for LSTM. Furthermore, phase misalignment in upstream data introduces a near-linear increase in forecast error. Under moderate model settings, a ±3 s misalignment increases the mean absolute error by approximately 0.5 m, while the same error is accumulated at ±4 s using the more conservative approach. These findings inform the design of resilient, uncertainty-aware wave forecasting systems suited for realistic offshore sensing environments.

42 ENGINEERING↗
DOE OSTI2021

Time-resolved Rotational Velocities in the Upper Atmosphere of WASP-33 b

While steady empirical progress has been made in understanding the structure and composition of hot-planet atmospheres, direct measurements of velocity signatures, including winds, rotation, and jets, have lagged behind. Quantifying atmospheric dynamics of hot planets is critical for a complete understanding of their atmospheres, and such measurements may even illuminate other planetary properties, such as magnetic field strengths. In this manuscript we present the first detection of the Balmer lines Hα and Hβ in the atmosphere of the ultra-hot Jupiter WASP-33 b. Using atmospheric models that include the effects of atmospheric dynamics, we show that the shape of the average Balmer line transmission spectrum is consistent with rotational velocities in the planet’s thermosphere of v{sub rot}=10.1{sub −1.0}{sup +0.8} km s{sup −1}. We also measure a low-significance day- to nightside velocity shift of −4.6{sub −3.4}{sup +3.4} km s{sup −1} in the transmission spectrum, which is naturally explained by a global wind across the planet’s terminator. In a separate analysis the time-resolved velocity centroids of individual transmission spectra show unambiguous evidence of rotation, with a best-fit velocity of 10.0{sub −2.0}{sup +2.4} km s{sup −1}, consistent with the value of v {sub rot} derived from the shape of the average Balmer line transmission spectrum. Our observations and analysis confirm the power of time-resolved transmission spectra with a high signal-to-noise ratio to measure the velocity structures in exoplanet atmospheres. The high rotational and wind velocities we measure highlight the need for more detailed 3D global climate simulations of the rarefied upper atmospheres of ultra-hot gas giants.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Resolved Dwarf Galaxy Searches within ~5 Mpc with the Vera Rubin Observatory and Subaru Hyper Suprime-Cam*

We present a preview of the faint dwarf galaxy discoveries that will be possible with the Vera C. Rubin Observatory and Subaru Hyper Suprime-Cam in the next decade. In this work, we combine deep ground-based images from the Panoramic Imaging Survey of Centaurus and Sculptor (PISCeS) and extensive image simulations to investigate the recovery of faint, resolved dwarf galaxies in the Local Volume with a matched-filter technique. We adopt three fiducial distances - 1.5, 3.5, 5 Mpc, and quantitatively evaluate the effects on dwarf detection of varied stellar backgrounds, ellipticity, and Milky Way foreground contamination and extinction. We show that our matched-filter method is powerful for identifying both compact and extended systems, and near-future surveys will be able to probe at least ~4.5 mag below the tip of the red giant branch (TRGB) for a distance of up to 1.5 Mpc, and ~2 mag below the TRGB at 5 Mpc. This will push the discovery frontier for resolved dwarf galaxies to fainter magnitudes, lower surface brightnesses, and larger distances. Our simulations show the secure census of dwarf galaxies down to $M_{V}$$\approx$-5, -7, -8, will be soon within reach, out to 1.5 Mpc, 3.5 Mpc, and 5 Mpc, respectively, allowing us to quantify the statistical fluctuations in satellite abundances around hosts, and parse environmental effects as a function of host properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Lick AGN Monitoring Project 2016: Velocity-resolved Hβ Lags in Luminous Seyfert Galaxies

We carried out spectroscopic monitoring of 21 low-redshift Seyfert 1 galaxies using the Kast double spectrograph on the 3 m Shane telescope at Lick Observatory from 2016 April to 2017 May. Targeting active galactic nuclei (AGNs) with luminosities of λL$_{λ}$(5100 Å) ≈ 10$^{44}$ erg s$^{-1}$ and predicted Hβ lags of ~20–30 days or black hole masses of 10$^{7}$–10$^{8.5}$M$_{⊙}$, our campaign probes luminosity-dependent trends in broad-line region (BLR) structure and dynamics as well as to improve calibrations for single-epoch estimates of quasar black hole masses. Here we present the first results from the campaign, including Hβ emission-line light curves, integrated Hβ lag times (8–30 days) measured against V-band continuum light curves, velocity-resolved reverberation lags, line widths of the broad Hβ components, and virial black hole mass estimates (10$^{7.1}$–10$^{8.1}$M$_{⊙}$). Our results add significantly to the number of existing velocity-resolved lag measurements and reveal a diversity of BLR gas kinematics at moderately high AGN luminosities. AGN continuum luminosity appears not to be correlated with the type of kinematics that its BLR gas may exhibit. Follow-up direct modeling of this data set will elucidate the detailed kinematics and provide robust dynamical black hole masses for several objects in this sample.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Toward a More Complete Optical Census of Active Galactic Nuclei via Spatially Resolved Spectroscopy

While emission line flux ratio diagnostics are the most common technique for identifying active galactic nuclei (AGNs) in optical spectra, applying this approach to single-fiber spectra of galaxies can omit entire subpopulations of AGNs. Here, we use spatially resolved spectroscopy from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey to construct a sample of 10 galaxies where Baldwin–Philips–Terlevich line flux ratio diagnostics classify each galaxy’s central 3" spectrum as LINER or star-forming, while >10% of the spaxels in the galaxy’s MaNGA footprint are classified as Seyfert. We obtain Chandra observations of these 10 galaxies with off-nuclear Seyfert regions to determine whether AGNs are actually present in them. Our main result is that 7–10 (depending on strictness of criteria) of the galaxies host one or more X-ray AGNs, even though none of them were classified as AGNs based on their single-fiber optical spectra. We find that these AGNs were not identified in the single-fiber spectra because they are AGNs in the nuclei of companion galaxies, low-luminosity AGNs, dust-obscured AGNs, and/or flickering AGNs. In summary, we find that off-nuclear AGN signatures may increase the number of known AGNs by a factor of two over what conventional single nuclear fiber spectra identify. Our results show that spatially resolved spectroscopy can be leveraged to reveal a more complete census of AGNs that are traditionally missed by single-fiber spectra.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The Origin of Star Formation in Early-type Galaxies Inferred from Spatially Resolved Spectroscopy

Abstract We investigate the origin of star formation activity in early-type galaxies with current star formation using spatially resolved spectroscopic data from the Mapping Nearby Galaxies at Apache Point Observatory in the Sloan Digital Sky Survey (SDSS). We first identify star-forming early-type galaxies from the SDSS sample, which are morphologically early-type but show current star formation activity in their optical spectra. We then construct comparison samples with different combinations of star formation activity and morphology, which include star-forming late-type galaxies, quiescent early-type galaxies, and quiescent late-type galaxies. Our analysis of the optical spectra reveals that the star-forming early-type galaxies have two distinctive episodes of star formation, which is similar to late-type galaxies but different from quiescent early-type galaxies with a single star formation episode. Star-forming early-type galaxies have properties in common with star-forming late-type galaxies, which include stellar population, gas and dust content, mass, and environment. However, the physical properties of star-forming early-type galaxies derived from spatially resolved spectroscopy differ from those of star-forming late-type galaxies in the sense that the gas in star-forming early-type galaxies is more concentrated than their stars, and is often kinematically misaligned with stars. The age gradient of star-forming early-type galaxies also differs from those of star-forming late-type galaxies. Our findings suggest that the current star formation in star-forming early-type galaxies has an external origin including galaxy mergers or accretion gas from the cosmic web.

Astronomy & Astrophysics↗