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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Catalytic Carbodiimide Guanylation by a Nucleophilic, High Spin Iron(II) Imido Complex

Reduction of the three-coordinate iron(III) imido [Ph 2 B( t BuIm) 2 Fe=NDipp] (1) affords [Ph 2 B( t BuIm) 2 Fe=NDipp][K(18-C-6)THF 2 ] (2), a rare example of a high-spin (S = 2) iron(II) imido complex. Unusually for a late metal imido complex, the imido ligand in 2 has nucleophilic character, as demonstrated by the reaction with DippNH 2 , which establishes an equilibrium with the bis(anilido) complex [Ph 2 B( t BuIm) 2 Fe(NHDipp) 2 ][K(18-C-6)THF 2 ] (3). In an unusual transformation, formal insertion of i PrN=C=N i Pr into the Fe=N(imido) bond yields the guanidinate [Ph 2 B( t BuIm) 2 Fe( i PrN) 2 CNDipp][K(18-C-6)THF 2 ] (4). Here, reaction of 4 with excess DippNH 2 provides 3, along with the guanidine ( i PrNH) 2 C=NDipp. As suggested by these stoichiometric reactions, 2 is an efficient catalyst for the guanylation of carbodiimides, converting a wide range of aniline substrates under mild conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Variational Method for Analyzing Vortex Flows in Radar-Scanned Tornadic Mesocyclones. Part III: Sensitivities to Vortex Center Location Errors

Abstract When the vortex center location is estimated from a radar-scanned tornadic mesocyclone, the estimated location is not error-free. This raises an important issue concerning the sensitivities of analyzed vortex flow (VF) fields by the VF-Var (formulated in Part I of this paper series and tested in Part II) to vortex center location errors, denoted by Δ x c . Numerical experiments are performed to address this issue with the following findings: The increase of |Δ x c | from zero to a half of vortex core radius causes large analysis error increases in the vortex core but the increased analysis errors decrease rapidly away from the vortex core especially for dual-Doppler analyses. The increased horizontal-velocity errors in the vortex core are mainly in the Δ x c -normal component, because this component varies much more rapidly than the other component along the Δ x c direction in the vortex core. The vertical variations of Δ x c distort the vertical correlation structure of Δ x c -dislocated VF-dependent background error covariance, which can increase the analysis errors in the vortex core. The dual-Doppler analyses have adequate accuracies outside the vortex core even when |Δ x c | increases to a half of vortex core radius, while single-Doppler analyses can also have adequate accuracies outside the vortex core mainly for the single-Doppler-observed velocity component. The sensitivities to Δ x c are largely unaffected by the vortex slanting. The above findings are important and useful for assessing the accuracies of analyzed VFs for real radar-observed tornadic mesocyclones. Significance Statement When the vortex center location is estimated from a radar-scanned tornadic mesocyclone, the estimated location is not error-free. This raises an issue concerning the sensitivity of analyzed vortex flow (VF) by the VF-Var (formulated in Part I of this paper series and tested with simulated radar observations in Part II) to vortex center location error. This issue and its required investigations are very important for the VF-Var to be applied to real radar-observed tornadic mesocyclones, especially in an operational setting with the WSR-88Ds. Numerical experiments are performed to address this issue. The findings from these experiments are important and useful for assessing the accuracies of VF-Var analyzed VF fields for real radar-observed tornadic mesocyclones.

Xu, Qin↗
DOE OSTI2020

The cryoelectron microscopy structure of the human CDK-activating kinase

The human CDK-activating kinase (CAK), a complex composed of cyclin-dependent kinase (CDK) 7, cyclin H, and MAT1, is a critical regulator of transcription initiation and the cell cycle. It acts by phosphorylating the C-terminal heptapeptide repeat domain of the RNA polymerase II (Pol II) subunit RPB1, which is an important regulatory event in transcription initiation by Pol II, and it phosphorylates the regulatory T-loop of CDKs that control cell cycle progression. Here, we have determined the three-dimensional (3D) structure of the catalytic module of human CAK, revealing the structural basis of its assembly and providing insight into CDK7 activation in this context. The unique third component of the complex, MAT1, substantially extends the interaction interface between CDK7 and cyclin H, explaining its role as a CAK assembly factor, and it forms interactions with the CDK7 T-loop, which may contribute to enhancing CAK activity. We have also determined the structure of the CAK in complex with the covalently bound inhibitor THZ1 in order to provide insight into the binding of inhibitors at the CDK7 active site and to aid in the rational design of therapeutic compounds.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Ultraviolet spectra of extreme nearby star-forming regions: Evidence for an overabundance of very massive stars

ABSTRACT As deep spectroscopic campaigns extend to higher redshifts and lower stellar masses, the interpretation of galaxy spectra depends increasingly upon models for very young stellar populations. Here we present new HST/COS ultraviolet spectroscopy of seven nearby (<120 Mpc) star-forming regions hosting very young stellar populations (∼4–20 Myr) with optical Wolf–Rayet stellar wind signatures, ideal laboratories in which to benchmark these stellar models. We detect nebular C iii] in all seven, but at equivalent widths uniformly <10 Å. This suggests that even for very young stellar populations, the highest equivalent width C iii] emission at ≥15 Å is reserved for inefficiently cooled gas at metallicities at or below that of the SMC. The spectra also reveal strong C iv P-Cygni profiles and broad He ii emission formed in the winds of massive stars, including some of the most prominent He ii stellar wind lines ever detected in integrated spectra. We find that the latest stellar population synthesis prescriptions with improved treatment of massive stars nearly reproduce the entire range of stellar He ii wind strengths observed here. However, we find that these models cannot simultaneously match the strongest wind features alongside the optical nebular line constraints. This discrepancy can be naturally explained by an overabundance of very massive stars produced by a high incidence of binary mass transfer and mergers occurring on short ≲10 Myr time-scales, suggesting these processes may be crucial for understanding systems dominated by young stars both nearby and in the early Universe.

Senchyna, Peter↗
DOE OSTI2023

Abundances of CNO elements in z ∼ 0.3–0.4 Lyman continuum leaking galaxies

We present observations with the Space Telescope Imaging Spectrograph onboard the Hubble Space Telescope (HST) of 11 Lyman continuum (LyC) leaking galaxies at redshifts, z , in the range 0.29–0.43, with oxygen abundances 12+log(O/H) = 7.64–8.16, stellar masses M ⋆ ∼ 10 7.8 –10 9.8 M ⊙ , and O 32 = [O III ] λ5007/[O II ] λ3727 of ∼ 5–20 aiming to detect the C III ] λ1908 emission line. We combine these observations with the optical Sloan Digital Sky Survey (SDSS) spectra for the determination of carbon, nitrogen, and oxygen abundances. Our sample was supplemented by 31 galaxies from the literature, for which carbon, nitrogen, and oxygen abundances can be derived from the HST and SDSS spectra. These additional galaxies, however, do not have LyC observations. We find that log(C/O) for the entire sample at 12+log(O/H) < 8.1 does not depend on metallicity, with a small dispersion of ∼0.13 dex around the average value of ∼−0.75 dex. On the other hand, the log(N/O) in galaxies at z > 0.1, including LyC leakers, is systematically higher compared to the rest of the sample with lower metallicity. We find that log(C/O) slightly decreases with increasing M ⋆ from ∼ −0.65 at M ⋆ = 10 6 M ⊙ to ∼ −0.80 at M ⋆ = 10 9 –10 10 M ⊙ , whereas log(N/O) is considerably enhanced at M ⋆ > 10 8 M ⊙ . The origin of these trends remains basically unknown. A possible solution would be to assume that the upper mass limit of the stellar initial mass function in more massive galaxies is higher. This would result in a higher production of oxygen and a larger fraction of massive stars with stellar wind polluting the interstellar medium with nitrogen.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Development of MGMC: A proxy Multi-Group Monte Carlo Particle Transport Application

This document details the development and current state of MGMC: a proxy Multi-Group Monte Carlo transport application. The goal of this work was to develop a light-weight Monte Carlo transport solver that could be easily reconfigured to test parallelization strategies targeting advanced architectures and heterogeneous computing environments. Additionally, MGMC is able to act as a proxy-app for testing the development of algorithms and the integration of other libraries and into Monte Carlo transport codes. MGMC is currently able to run in parallel using OpenMP for CPU threads or CUDA for NVIDIA GPUs. MGMC was also used to investigate the using SYCL for portable parallelization targeting either CPU threads, vender-agnostic GPUs, and ARM chips, detailed in Section II. In the process of developing MGMC, several other C++ libraries have been created with the intent for re-use in future research projects and potential inclusion in production-level codes, detailed in Section III. The physics capabilities in MGMC are detailed in Section IV, code verification is detailed in Section V, and performance results are detailed in Section VI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Additional Calibration of the Ultraviolet Imaging Telescope on Board AstroSat

Results of the initial calibration of the Ultra-Violet Imaging Telescope (UVIT) were reported earlier by Tandon et al. The results reported earlier were based on the ground calibration as well as the first observations in orbit. Some additional data from the ground calibration and data from more in-orbit observations have been used to improve the results. In particular, extensive new data from in-orbit observations have been used to obtain (a) new photometric calibration that includes (i) zero points, (ii) flat fields, and (iii) saturation; (b) sensitivity variations; (c) spectral calibration for the near ultraviolet (NUV; 2000–3000 Å) and far ultraviolet (FUV; 1300–1800 Å) gratings; (d) point-spread function; and (e) astrometric calibration including distortion. Data acquired over the last three years show continued good performance of UVIT with no reduction in sensitivity in both UV channels.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Lignin-based polymers with enhanced melt extrusion ability

A solid polymer blend material comprising: (i) lignin; and (ii) a polyamide having a melting point of no more than 240° C. and which is below the decomposition temperature of the lignin; wherein said lignin is homogeneously dispersed in said polyamide. Methods for producing the blend material are also described. Methods for producing objects made of the blend material by melt extrusion are also described, comprising: (a) melt blending components (i) and (ii) to form a polymer blend in which components (i) and (ii) are homogeneously blended, wherein the polymer blend exhibits a melt viscosity of no more than 2000 Pa·s at a shear rate of 100-1000 s −1 and when heated to a temperature of no more than 240° C.; and; (b) forming an object made of said polymer blend material.

Naskar, Amit K.↗
DOE OSTI2022

Sensitive Measures of Soil Health Reveal Carbon Stability Across a Management Intensity and Plant Biodiversity Gradient

Soil carbon (C) is a major driver of soil health, yet little is known regarding how sensitive measures of soil C shift temporally within a single growing season in response to short-term weather perturbations. Our study aimed to i) Examine how long-term management impacts soil C cycling and stability across a management intensity and plant biodiversity gradient and ii) Assess how sensitive soil health indicators change temporally over the course of a single growing season in response to recent weather patterns. Here we quantify a variety of sensitive soil C measures at four time points across the 2021 growing season at the W.K. Kellogg Biological Station’s Long Term Ecological Research Trial (LTER) located in southwest Michigan, USA. The eight systems sampled included four annual soybean ( Glycine max ) systems that ranged in management intensity (conventional, no-till, reduced input, and biologically-based), two perennial biofuel cropping systems (switchgrass ( Panicum virgatum) and hybrid poplars ( Populus nigra x P.maximowiczii )), and two unmanaged systems (early successional system and a mown but never tilled grassland). We found that unmanaged systems with increased perenniality enhanced mineralizable C (Min C) and permanganate oxidizable C (POXC) values. Additionally, all soil health indicators were found to be sensitive to changes in short-term weather perturbations over the course of the growing season. The implications of this study are threefold. First, this study assess indicators of labile and stable C pools over the course of the growing season and reflects the stability of soil C in different systems. Second, POXC, Min C, and ß-glucosidase (GLU) activity are sensitive soil health indicators that fluctuate temporally, which means that these soil health indicators could help elucidate the impact that weather patterns have on soil C dynamics. Lastly, for effective monitoring of soil C, sampling time and frequency should be considered for a comprehensive understanding of soil C cycling within a system.

Martin, Tvisha↗
DOE OSTI2021

The role of oxygen in stimulating methane production in wetlands

Methane (CH 4 ), a potent greenhouse gas, is the second most important greenhouse gas contributor to climate change after carbon dioxide (CO 2 ). The biological emissions of CH 4 from wetlands are a major uncertainty in CH 4 budgets. Microbial methanogenesis by Archaea is an anaerobic process accounting for most biological CH 4 production in nature, yet recent observations indicate that large emissions can originate from oxygenated or frequently oxygenated wetland soil layers. To determine how oxygen (O 2 ) can stimulate CH 4 emissions, we used incubations of Sphagnum peat to demonstrate that the temporary exposure of peat to O 2 can increase CH 4 yields up to 2000-fold during subsequent anoxic conditions relative to peat without O 2 exposure. Geochemical (including ion cyclotron resonance mass spectrometry, X-ray absorbance spectroscopy) and microbiome (16S rDNA amplicons, metagenomics) analyses of peat showed that higher CH 4 yields of redox-oscillated peat were due to functional shifts in the peat microbiome arising during redox oscillation that enhanced peat carbon (C) degradation. Novosphingobium species with O 2 -dependent aromatic oxygenase genes increased greatly in relative abundance during the oxygenation period in redox-oscillated peat compared to anoxic controls. Acidobacteria species were particularly important for anaerobic processing of peat C, including in the production of methanogenic substrates H 2 and CO 2 . Higher CO 2 production during the anoxic phase of redox-oscillated peat stimulated hydrogenotrophic CH 4 production by Methanobacterium species. The persistence of reduced iron (Fe(II)) during prolonged oxygenation in redox-oscillated peat may further enhance C degradation through abiotic mechanisms (e.g., Fenton reactions). The results indicate that specific functional shifts in the peat microbiome underlie O 2 enhancement of CH 4 production in acidic, Sphagnum-rich wetland soils. They also imply that understanding microbial dynamics spanning temporal and spatial redox transitions in peatlands is critical for constraining CH 4 budgets; predicting feedbacks between climate change, hydrologic variability, and wetland CH 4 emissions; and guiding wetland C management strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A framework to measure the properties of intergalactic metal systems with two-point flux statistics

ABSTRACT The abundance, temperature, and clustering of metals in the intergalactic medium are important parameters for understanding their cosmic evolution and quantifying their impact on cosmological analysis with the Ly α forest. The properties of these systems are typically measured from individual quasar spectra redward of the quasar’s Ly α emission line, yet that approach may provide biased results due to selection effects. We present an alternative approach to measure these properties in an unbiased manner with the two-point statistics commonly employed to quantify large-scale structure. Our model treats the observed flux of a large sample of quasar spectra as a continuous field and describes the one-dimensional, two-point statistics of this field with three parameters per ion: the abundance (column density distribution), temperature (Doppler parameter), and clustering (cloud–cloud correlation function). We demonstrate this approach on multiple ions (e.g. ${\rm C\, \small {\rm IV}}$ , ${\rm Si\, \small {\rm IV}}$ , and ${\rm Mg\, \small {\rm II}}$ ) with early data from the Dark Energy Spectroscopic Instrument (DESI) and high-resolution spectra from the literature. Our initial results show some evidence that the ${\rm C\, \small {\rm IV}}$ abundance is higher than previous measurements and evidence for abundance evolution over time. The first full year of DESI observations will have over an order of magnitude more quasar spectra than this study. In a future paper, we will use those data to measure the growth of clustering and its impact on the Ly α forest, as well as test other DESI analysis infrastructure such as the pipeline noise estimates and the resolution matrix.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Response to the comments on creep-induced elemental redistribution at grain boundaries of 304L stainless steel – An experimental evidence for diffusional creep mechanisms

Sandström and He reanalyzed our 304L creep data (Acta Materialia 121137, 2025) at 10 MPa/750 °C and proposed that: (i) primary dislocation creep dominates based on the ϕ -model; (ii) measured creep rates deviate from published 304H data and Coble creep predictions using literature grain boundary (GB) diffusivity; and (iii) creep-induced elemental redistribution (CIER) could be explained by dislocation emission/absorption (DEAA) and GB creep (GBC), as opposed to diffusional creep. Here, in this response, we propose that: (i) the creep behavior at 15 MPa/750 °C—for which we demonstrated CIER—is only partially captured by the ϕ -model; (ii) direct comparison between 304L and 304H creep data is inappropriate due to carbides in 304H, and Coble creep predictions estimated from CALPHAD-based bulk diffusivity span experimental rates; and (iii) CIER exhibits distinct fingerprint for diffusional creep characterized by anisotropy and stress orientation dependence whereas neither DEAA nor GBC have been mechanistically substantiated.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

A Quench Detection and Monitoring System for Superconducting Magnets at Fermilab

A quench detection system was developed for protecting and monitoring the superconducting solenoids for the Muon-to-Electron Conversion Experiment (Mu2e) at Fermilab. The quench system was designed for a high level of dependability and long-term continuous operation. It is based on three tiers: Tier-I, FPGA-based Digital Quench Detection (DQD); Tier-II, Analog Quench Detection (AQD); and Tier-3, the quench controls and data management system. The Tier-I and Tier-II are completely independent and fully redundant systems. The Tier-3 system is based on National Instruments (NI) C-RIO and provides the user interface for quench controls and data management. It is independent from Tiers I & II. The DQD provides both quench detection and quench characterization (monitoring) capability. Both DQD and AQD have built-in high voltage isolation and user programmable gains and attenuations. The DQD and AQD also includes user configured current dependent thresholding and validation times. A 1 st article of the three-tier system was fully implemented on the new Fermilab magnet test stand for the HL-LHC Accelerator Up-grade Project (AUP). It successfully provided quench protection and monitoring (QPM) for a cold superconducting bus test in November 2020. The Mu2e quench detection design has since been implemented for production testing of the AUP magnets. A detailed description of the system along with results from the AUP superconducting bus test will be presented.

monitoring↗
DOE OSTI2024

Putative rhamnogalacturonan-II glycosyltransferase identified through callus gene editing bypasses embryo lethality

Rhamnogalacturonan II (RG-II) is a structurally complex and conserved domain of the pectin present in the primary cell walls of vascular plants. Borate crosslinking of RG-II is required for plants to grow and develop normally. Mutations that alter RG-II structure also affect crosslinking and are lethal or severely impair growth. Thus, few genes involved in RG-II synthesis have been identified. Here we developed a method to generate viable loss-of-function Arabidopsis (Arabidopsis thaliana) mutants in callus tissue via CRISPR/Cas9-mediated gene editing. We combined this with a candidate gene approach to characterize the male gametophyte defective 2 (MPG2) gene that encodes a putative family GT29 glycosyltransferase. Plants homozygous for this mutation do not survive. We showed that in the callus mutant cell walls, RG-II does not crosslink normally because it lacks 3-deoxy-D-manno-octulosonic acid (Kdo) and thus cannot form the α-L-Rhap-(1→5)-α-D-kdop-(1→ sidechain. We suggest that MGP2 encodes an inverting RG-II CMP-β-Kdo transferase (RCKT1). Our discovery provides further insight into the role of sidechains in RG-II dimerization. Our method also provides a viable strategy for further identifying proteins involved in the biosynthesis of RG-II.

59 BASIC BIOLOGICAL SCIENCES↗