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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

In vitro maturation of fully active [FeFe]-hydrogenase in a defined system including the iron carrier NfuA

The [FeFe]-hydrogenase employs an active-site 6Fe H-cluster to catalyze the reversible reduction of protons to H 2 . A [4Fe-4S] subcluster of the H-cluster is synthesized by housekeeping iron-sulfur cluster assembly machinery, and then dedicated hydrogenase maturation enzymes, together with components of the glycine cleavage system, build and deliver a [2Fe] subcluster to generate the full H-cluster. Here, we report that theEscherichia coliiron-sulfur carrier protein NfuA supports in vitro maturation of fully active [FeFe]-hydrogenase, with H 2 production rates comparable to that of the in vivo-maturedChlamydomonas reinhardtii[FeFe]-hydrogenase (CrHydA). Inclusion of NfuA in the in vitro maturation process improves its efficacy by delivering the iron essential for formation of the [Fe II (cys)(CN)(CO) 2 ] – synthon at the dangler iron site of the HydG auxiliary cluster. NfuA serves an additional role in reconstituting and maintaining the catalytically essential iron-sulfur clusters on the maturase enzymes HydE, HydF, and HydG. Further inclusion of a high CO affinity myoglobin variant (Mb H64L ) sequesters free CO generated during the maturation process, minimizing formation of the CO-inhibited H ox -CO enzyme state, significantly increasing hydrogenase activity. The addition of NfuA and Mb H64L to the fully defined maturation system thus results in an in vitro [FeFe]-hydrogenase maturation system that generates highly active enzyme while providing insights into factors important to in vivo maturation.

Science & Technology - Other Topics↗
DOE OSTI2021

Modeling of ExB effects on tungsten re-deposition and transport in the DIII-D divertor

Mixed-material DIVIMP-WallDYN modelling, now incorporating ExB drifts, is presented that simultaneously reproduces tungsten (W) erosion and deposition patterns observed during the DIII-D Metal Rings Campaign, in which a toroidally symmetric set of W-coated tiles were installed in the carbon (C) DIII-D divertor. Since most reactor plasma facing component (PFC) designs call for mixed-material environments, including ITER’s W/Be enviroment, the divertor targets will quickly evolve into reconstitued surfaces of multiple elements. This work identifies controlling physics that affects material migration patterns in the divertor, which impact PFC lifetimes and impurity leakage from the divertor to the core. These simulations indicate that radial and poloidal ExB transport dominates over parallel force balance for high-Z impurities such as W in the divertor region of DIII-D. It is demonstrated that ExB drifts are required to reproduce the experimental observation of non-local W and C co-accumulation in a band ~7-9 cm outboard of the outer-strike-point (OSP) W source, for attached Lmode conditions in the unfavorable ion grad-B drift direction. In addition, W gross erosion is localized to the region outboard of the OSP, as the formation of C co-deposits suppresses W erosion at the strike point. Time-dependent simulations with scaled ExB impurity drifts (60% of the OEDGE-calculated drift velocity) and W re-erosion quantitatively reproduce these features, including depth-resolved W/C ratios, within a factor of 2 over ~115 seconds of accumulated plasma exposure. The location of co-deposition regions is shown to be well represented by an analytic leakage model, driven largely by poloidal ExB drifts. Qualitative agreement is also found between campaign-integrated W deposition measurements and simulations for the favorable ion grad-B drift direction, the standard mode of operation for most tokamaks. Furthermore, these results imply that a longterm inward radial migration of material from the outer divertor through the private flux region may occur in future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

α -cluster microscopic study of C 12 + C 12 fusion toward the zero energy limit

The carbon burning process is a fundamental step of stellar evolution and governs the synthesis of chemical elements important for the formation of life. In this work, we utilize the microscopic hybrid α cluster (HαC) model and an analytical approach, both in the framework of the Imaginary Time Method (ITM), to study the carbon fusion reaction towards zero energy. We obtain the values of the cross sections, astrophysical factors and correlate our results to collective motion. We also include a calculation for the 2 + carbon fusion and discuss a possible experimental investigation. Our results confirm direct experimental and theoretical results close to the barrier, while suggest possible 2 + mixtures in the indirect experimental data. Furthermore, our study offers an accurate view of the burning process in the somewhat unexplored low energy region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1987

The delta upsilon = 1 fundamental bands of carbon monoxide in late-type stars

A program was begun to develop the fundamental vibration-rotation bands of CO near 4.7 micron, as a tool to investigate the properties of late type stellar atmospheres. The strong delta v = 1 lines are sensitive probes of the thermal structure of the outer layers, which can be strongly affected by the CO, itself: cooling in the fundamental lines can depress the surface temperature to low values that are in sharp contrast with those derived from chromospheric diagnostics like Ca II K and Mg II k. Cool atmospheric models are being constructed to reproduce observed high resolution CO spectra of several late-type stars. The sensitivity is illustrated of CO LTE spectra to variations in T sub eff, log g, (Fe/H), and isotopic abundances of C and O for a grid of such models. In parallel, the assumptions of LTE line formation are tested using newly available cross sections for translational-to-vibrational energy exchange in collisions of atomic H on CO. In addition, spectra of CO and Ca II K calculated from semi-empirical UV based hot chromospheric models are used to estimate geometrical filling factors for the CO dominated and chromospheric regions on the stellar surface, in the spirit of Ayres' thermal bifurcation scenario.

Wiedemann, G.↗
NASA NTRS1992

Comet Yanaka (1988r) - A new class of carbon-poor comet

As part of a program to determine the chemical composition of a sample population of comets, a very unusual comet, Yanaka (1988r), was observed in January 1989. Although the comet showed the usual emissions of OI and NH2, it did not display any hint of C2 or CN emission. The comet is depleted in C2 by at least a factor of 100 and in CN by a factor of 25 relative to typical comets. If comets originate from interstellar clouds, Yanaka (1988r) could be an interloper from a cloud of different composition. If Yanaka (1988r) was formed within our solar system, the solar nebula was less uniform than assumed by most present models of formation.

Fink, Uwe↗
NASA NTRS1994

Compendium of NASA data base for the Global Tropospheric Experiment's Arctic Boundary Layer Experiments ABLE-3A and ABLE-3B

The report provides a compendium of NASA aircraft data that are available from NASA's Global Tropospheric Experiment's (GTE) Arctic Boundary Layer Experiments (ABLE) conducted in July and August of 1988 (ABLE-3A) and 1990 (ABLE-3B). ABLE-3A flight experiments were based at Barrow and Bethel, Alaska, and included survey/transit flights to Thule, Greenland. ABLE-3B flight experiments were based at North Bay (Ontario) and Goose Bay, Canada, and included flights northward to Frobisher Bay, Canada. The primary purposes of the experiments were (1) the measurement of the flux of various trace gases from high-arctic ecosystems, (2) the elucidation of factors important to the production and destruction of ozone, and (3) the documentation of source and chemical signature of air common to and transported into the regions. The report provides a representation, in the form of selected data plots, of aircraft data that are available in archived format via NASA Langley's Distributed Active Archive Center. The archived data bases include data for other species measured on the aircraft as well as numerous supporting data, including meteorological observations/products, results from surface studies, satellite observations, and sondes releases.

Gregory, Gerald L.↗
NASA NTRS1995

An HST study of galactic inerstellar zinc and chromium

We present a survey of interstellar Zn II and Cr II absorption extracted from the Hubble Space Telescope Goddard High Resolution Spectrograph (HST GHRS) data archive. We find clear evidence for an enhanced depletion of Zn from the gas phase with increasing fractional abundance of molecular hydrogen f(H2). Our lower limit to the Galactic interstellar metallicity is approximately 65% of the solar value as determined by the measured Zn abundances in the lowest f(H2) sightlines, (N(Zn)/N(H(sup 0)(sub tot)) = -0.19 +/- 0.04. The correspondingly high depletion of Cr with respect to solar (N(Cr/N(H(sup 0)(sub tot)) = -1.44 +/- 0.26 indicates that there are significant amounts of dust present in these lines of sight. The Galactic abundances of Zn and Cr in the ISM provide a fundamental reference point which is used to understand the metal enrichment and dust formation history of damped Lyman alpha QSO absorption-line systems, normally believed to arise from intervening precursors to modern disk galaxies. Although the spread in Zn abundances is large for both the local ISM and in damped Lyman alpha systems, we still find a substantial difference (factor of 4-10) in metallicity between the two sets. This survey and future observations of more distant objects which probe the full extent of the Milky Way halo provide a more complete picture of the enrichment and depletion characteristics of present-day galaxies.

Roth, Katherine C.↗
NASA NTRS2001

Galaxy Cluster Gas Mass Fractions From Sunyaev-Zel'dovich Effect Measurement: Constraints on Omega_M

Using sensitive centimeter-wave receivers mounted on the Owens Valley Radio Observatory and Berkeley-Illinois-Maryland-Association millimeter arrays, we have obtained interferometric measurements of the Sunyaev-Zei'dovich (SZ) effect toward massive galaxy clusters. We use the SZ data to determine the pressure distribution of the cluster gas and, in combination with published X-ray temperatures, to infer the gas mass and total gravitational mass of 18 clusters. The gas mass fraction, f~g, is calculated for each cluster, and is extrapolated to the fiducial radius r_{500} using the results of numerical simulations. The mean f_g within r_{500} is 0.081 + 0.009 - 0.011/(h_{100} (statistical uncertainty at 68% confidence level, assuming OmegaM=0.3, OmegaL=0.7). We discuss possible sources of systematic errors in the mean f 9 measurement. We derive an upper limit for OmegaM from this sample under the assumption that the mass composition of clusters within r_{500} reflects the universal mass composition: Omega_M h <Omega_B/f_g.The gas mass f on cosmology through the angular diameter distance and the r_{500} correction factors. For a flat universe (Omegal, = 1 - OmegaM) and h=0.7, we find the measured gas mass fractions are consistent with OmegaM less than 0.40, at 68% confidence. Including estimates of the baryons contained in galaxies and the baryons which failed to become bound during the cluster formation process, we find OmegaM\approximately 0.25.

Grego, Laura↗
NASA NTRS2020

Honeywell Enhancing Airplane State Awareness (EASA) Project: Final Report on Refinement and Evaluation of Candidate Solutions for Airplane System State Awareness

The loss of pilot airplane state awareness (ASA) has been implicated as a factor in several aviation accidents identified by the Commercial Aviation Safety Team (CAST). These accidents were investigated to identify precursors to the loss of ASA and develop technologies to address the loss of ASA. Based on a gap analysis, two technologies were prototyped and assessed with a formative pilot-in-the-loop evaluation in NASA Langley’s full-motion Research Flight Deck. The technologies address: 1) data source anomaly detection in real-time, and 2) intelligent monitoring aids to provide nominal and predictive awareness of situations to be monitored and a mission timeline to visualize events of interest. The evaluation results indicated favorable impressions of both technologies for mitigating the loss of ASA in terms of operational utility, workload, acceptability, complexity, and usability. The team concludes that there is a feasible retrofit solution for improving ASA that would minimize certification risk, integration costs, and training impact.

Whitlow, Stephen D.↗
NASA NTRS2021

JWST/MIRI Simulated Imaging: Insights into Obscured Star Formation and AGNs for Distant Galaxies in Deep Surveys

The James Webb Space Telescope MIRI instrument will revolutionize extragalactic astronomy with unprecedentedsensitivity and angular resolution in mid-IR. Here we assess the potential of MIRI photometry to constrain galaxyproperties in the Cosmic Evolution Early Release Science(CEERS)survey. We derive estimated MIRIfluxes fromthe spectral energy distributions(SEDs)of real sources that fall in a planned MIRI pointing. We also obtain MIRIfluxes for hypothetical active galactic nucleus(AGN)–galaxy mixed models varying the AGN fractionalcontribution to the total IR luminosity(fracAGN). Based on these modelfluxes, we simulate CEERS imaging(3.6 hrexposure)in six bands from F770W to F2100W usingMIRISIMand reduce these data usingJWST PIPELINE.Weperform point-spread-function-matched photometry withTPHOTandfit the source SEDs withX-CIGALE,simultaneously modeling photometric redshift and other physical properties. Adding the MIRI data, the accuracyof both redshift and fracAGNis generally improved by factors of2 for all sources atz3. Notably, for pure-galaxy inputs(fracAGN=0), the accuracy of fracAGNis improved by∼100 times thanks to MIRI. The simulatedCEERS MIRI data are slightly more sensitive to AGN detections than the deepest X-ray survey, based on theempiricalLX–L6μmrelation. Like X-ray observations, MIRI can also be used to constrain the AGN accretionpower(accuracy≈0.3 dex). Our work demonstrates that MIRI will be able to place strong constraints on the mid-IR luminosities from star formation and AGNs and thereby facilitate studies of the galaxy/AGN coevolution.

G Yang↗
DOE OSTI2019

Structure-antioxidant activity relationships, QSAR, DFT calculation, and mechanisms of flavones and flavonols

DFT calculations were performed on nine flavones and flavonols to explain their high antioxidant activity and variations in their activity. Conformational analysis showed that only flavonols with 3-OH directed toward the B-ring are nonplanar; however, flavones and resulted radicals are planar. Hydroxyl group eligible for dissociation is the one with ortho OH directed toward it; otherwise, one of B-ring (in 2′ or 4′-position) hydroxyl group. There are two main factors responsible for stabilizing the resulted radicals and lowering the bond dissociation energy and hence there were found well correlated with the experimental activity. First, driving force resulted from the conversion of nonplanar flavonols to planar radicals accompanied by resonance toward the carbonyl group and H-bond formation with 3-OH and second, radical stabilization by H-bond with ortho hydroxyl group with resonance toward carbonyl or pyrone oxygen. All resonance and H-bonds were confirmed by spin density, bond length, and molecular orbital calculations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Effects of Fe atoms on hardening of a nickel matrix: Nanoindentation experiments and atom-scale numerical modeling

Significant hardening effect due to Fe concentrations in Ni-based alloys with face-centered-cubic structure has been studied by using a combined experimental and atomistic-based computational approach via nanoindentation tests. The obtained experimental load–displacement data for the [0 0 1] crystal orientation reached a qualitative good agreement with molecular dynamics simulations results, leading to strong evidence that the main strengthening factors are associated to sluggish dislocation diffusion, reduced defect sizes and the nucleation of tetrahedral stacking faults. Here, interstitial type prismatic dislocation loops mainly formed by $\frac{1}{6}$$\langle$1 1 2$\rangle$ Shockley dislocations are nucleated during the loading process, where their interaction leads to the formation of pyramidal shaped stacking fault which are mainly created by $\frac{1}{3}$$\langle$1 0 0$\rangle$ Hirth dislocations lines. Observing both types of defects coexisting in the same plastic deformation zone by both approaches. Reported mechanical data, measured experimentally and interpreted numerically, are also in accordance with microstructural SEM and TEM investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Retention and surface morphology evaluation of fine-grain dispersion-strengthened tungsten for plasma-facing component applications

This study exposed novel fine-grain dispersion-strengthened tungsten (W) to high fluence, low energy deuterium (D) and helium (He) plasmas to evaluate how material microstructure and composition affect hydrogen retention and surface morphology. Tested materials included fine-grain dispersion-strengthened tungsten (DSW) with 3 wt% zirconium carbide (ZrC) dispersoids, fine-grain dense W without any dispersoids (FGW), and coarse-grained polycrystalline ‘ITER-grade’ W. Samples were exposed to D 2 + and He + plasmas at fusion-relevant fluences (∼10 25 m -2 ) and ion energies (75 eV) over a range of temperatures (200 °C, 300 °C, 450 °C for D, 850 °C for He). Helium ion microscopy was performed on the exposed samples to evaluate surface morphology changes and material integrity. After D plasma exposure, the ZrC dispersoids showed near-surface degradation at exposure temperatures above 300 °C, but no detrimental morphology changes were observed for the adjacent W grains. After He plasma-exposure, nano-structured fuzz formation was observed in the tungsten matrix of all samples. The ZrC dispersoids maintained their integrity despite the surrounding fuzz growth, with clear delineation between the W fuzz and dispersoid regions. Thermal desorption spectroscopy showed that ZrC DSW consistently retained more D than the FGW by about a factor of 2 across all temperatures. At 200 °C and 300 °C, the ITER-W displayed lower D retention than both the DSW and FGW, however at 450 °C ITER-W showed the highest retention, about 50% more than DSW. He retention was comparable across all samples, with the highest retention observed in the fine-grain W, only 26% higher than in ITER-W. These insights on retention behavior will inform further optimization of these novel fine-grained tungsten materials with and without dispersoid additives.

Dispersion-strengthened tungsten↗
DOE OSTI2025

Electronic and Geometric Contributors to Hydrogen Binding in Uranium Oxide Grain Boundaries

Hydrogen induced corrosion of uranium, which leads to the formation of toxic and pyrophoric UH 3 , raises significant safety concerns for long-term storage of nuclear materials. Previous work suggests hydrogen diffuses through the grain boundaries (GBs) of the passivating oxide layer to initiate hydriding reactions. However, the atomistic mechanisms underlying this phenomenon and the structural factors that control its initiation are not well understood. To address this knowledge gap, here we use a high-throughput density functional theory (DFT) workflow to investigate the adsorption of H and H 2 in the defective bulk UO 2 . Specifically, we have exhaustively investigated the adsorption of H (107 sites) and H 2 (26 sites) in three different coincident site lattice (CSL) GBs: Σ3, Σ5, and Σ9. Compared to the binding energies in pristine UO 2 , we observe significantly stronger hydrogen adsorption at these GB sites. Interestingly, we find that the trends in H and H 2 adsorption vary considerably across the three GB models. In particular, while a small number of sites in Σ5 and Σ9 show exothermic adsorption of H and H 2 , respectively, no such sites are found in Σ3. These results provide fundamental atomistic insights that could guide the development of future corrosion mitigation strategies for the storage of nuclear materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

AstroCLIP: a cross-modal foundation model for galaxies

ABSTRACT We present AstroCLIP, a single, versatile model that can embed both galaxy images and spectra into a shared, physically meaningful latent space. These embeddings can then be used – without any model fine-tuning – for a variety of downstream tasks including (1) accurate in-modality and cross-modality semantic similarity search, (2) photometric redshift estimation, (3) galaxy property estimation from both images and spectra, and (4) morphology classification. Our approach to implementing AstroCLIP consists of two parts. First, we embed galaxy images and spectra separately by pre-training separate transformer-based image and spectrum encoders in self-supervised settings. We then align the encoders using a contrastive loss. We apply our method to spectra from the Dark Energy Spectroscopic Instrument and images from its corresponding Legacy Imaging Survey. Overall, we find remarkable performance on all downstream tasks, even relative to supervised baselines. For example, for a task like photometric redshift prediction, we find similar performance to a specifically trained ResNet18, and for additional tasks like physical property estimation (stellar mass, age, metallicity, and specific-star-formation rate), we beat this supervised baseline by 19 per cent in terms of R2. We also compare our results with a state-of-the-art self-supervised single-modal model for galaxy images, and find that our approach outperforms this benchmark by roughly a factor of two on photometric redshift estimation and physical property prediction in terms of R2, while remaining roughly in-line in terms of morphology classification. Ultimately, our approach represents the first cross-modal self-supervised model for galaxies, and the first self-supervised transformer-based architectures for galaxy images and spectra.

Parker, Liam (ORCID:0009000749521674)↗
DOE OSTI2024

General mass variable flavor number scheme for 𝑍 boson production in association with a heavy quark at hadron colliders

We present a methodology to streamline implementation of massive-quark radiative contributions in calculations with a variable number of active partons in proton-proton collisions. The methodology introduces subtraction and residual heavy-quark parton distribution functions (PDFs) to implement calculations in the Aivazis–Collins–Olness–Tung (ACOT) factorization scheme and its simplified realization in various processes up to the next-to-the-next-to-leading order in the QCD coupling strength. Interpolation tables for bottom-quark subtraction and residual distributions for CT18 NLO and NNLO PDF ensembles are provided in the common LHAPDF6 format. A numerical calculation of 𝑍-boson production with at least one 𝑏 jet at the Large Hadron Collider beyond the lowest order in QCD is considered for illustration purposes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Techno-Economic Wind Blade Manufacturing Model to Identify Opportunities for Cost Improvements Phase II IACMI Project 4.6/4.8

In IACMI Project 4.6 and IACMI Project 4.8, an Excel-based Techno-Economic Model (TEM) of the manufacturing process for composite wind turbine blades and a DELMIA Factory Flow Simulation of a generic wind blade manufacturing facility was developed. Together, these two tools provide a combined economic modeling capability that accounts for the material, labor, overhead and full-lifecycle operating costs associated with wind blade manufacturing as well as the impact of process flow and factory layout on overall manufacturing efficiency. The tools provide a novel means of detailed comparative analysis of the economic feasibility of proposed technologies and process changes for blade manufacturing. The modeling tools were developed with close support from members of industry and visits to multiple blade manufacturing facilities. With industry oversight, a detailed generalized manufacturing process plan and facility layout were developed with manufacturing parameters, material costs and economic factors based on historical data. Dassault Systèmes and the University of Texas at Dallas (UTD) contributed to the development of the Techno-Economic Model by providing macros to enable the generation of Bill of Material (BOM) data from a 3D blade design in either CATIA or NuMAD format, respectively. The TEM was built with the capability to directly import a Bill of Materials for economic analysis, and with the addition of the macros provided by Dassault and UTD, the TEM can directly import blade designs from both CATIA and NuMAD file formats. The modeling tools developed in Project 4.6 were used to investigate four wind blade manufacturing concepts in detail and select one to explore with laboratory-scale experimentation in Project 4.8. The four manufacturing concepts that were investigated were down-selected by the full project team from a larger list of concepts. The selections were made based on a number of criteria ranking viability and level of interest for each concept. The ‘One-Step Close’ manufacturing concept was ultimately selected for investigation in Project 4.8 and the demonstration was performed at the NREL CoMET facility. The TPI advanced manufacturing facility in Warren, RI contributed the production of several prototype components, the designs for which were developed by Janicki Industries. The demonstration project provided clear indication of the viability of the One-Step Close manufacturing concept for blade manufacturing and good validation of the Techno-Economic Model’s prediction of its economic impact.

17 WIND ENERGY↗