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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Interplay between Ultrafast Electronic and Librational Dynamics in Liquid Nitrobenzene Probed with Two-Color Four-Wave Mixing

Here, we present an experimental and theoretical study of the interplay between ultrafast electron dynamics and librational dynamics in liquid nitrobenzene. A femtosecond ultraviolet pulse and two femtosecond near-infrared pulses interact with nitrobenzene molecules, generating a four-wave mixing nonlinear signal measured in the Optical Kerr Effect geometry. The signal is measured to be nonzero only at negative time delays, corresponding to the near-infrared pulses arriving before the ultraviolet pulse. We perform time-dependent Quantum Master Equation calculations with classical libration to simulate the experiment. The simulations support the conclusion that the near-infrared pulses launch librational motion while creating electronic coherences resulting in a libration-modulated electronic nonlinear response. The analysis of the phase-matched four-wave mixing signals suggests a nonparametric process leaving the molecules in an excited electronic state, providing new insight into ultrafast nonlinear optical interactions in liquids and advancing toward probing ultrafast electronic coherences in complex molecular liquids.

Shivaram, Niranjan [Lawrence Berkeley National Lab↗
DOE OSTI2021

High-Temperature-Performance Cyanate Ester Composites with Carboranes

Cyanate ester (CE) is an important class of materials among high-temperature performance thermosets. It is used in aerospace launch vehicles, heat sinks, booms, and trusses of satellites etc. due to its high glass transition temperatures (>220°C), excellent thermal stability, and low flammability. Current approaches to improve the thermal stability of CE include incorporation of siloxanes or phosphorus- based flame retardants (PFRs). In this work, we have explored boron-based hydroxy (PD) and epoxy (EP) functionalized carborane additives to improve the thermal properties of CE. Carborane fillers were solvent blended at various mass loadings in the resin and cured to study their effect on thermal properties. PD and EP carboranes react with CE to form iminocarbonate and oxazolidinone linkages respectively. Cure kinetics studies at different wt% loadings explained that carboranes catalyze the curing reaction by reducing curing activation energy by about 54% and 26% for 10 wt% loadings of PD and EP carboranes respectively. In addition, carborane-filled cyanate ester (CE) nanocomposites demonstrate an exceptionally high thermal stability as compared to the pristine resin in air and inert environment. Our thermogravimetric analysis (TGA) experiments show that the ultimate char yield of the resin can be increased from 0% to as high as 76% and 82% with 30 wt% PD and EP carborane loading respectively at 1000 °C in air. The initial degradation temperature T d;5 of the composites decreased with increasing carborane loadings in both air and argon. For instance, T d;5 for CE was 465 and 471.6 °C in argon and air while that for P20 was 437.4 and 452.1 °C. Modulated TGA studies gave evidence of the effect of carboranes on degradation kinetics and the mechanism of the resin in air and inert environment. The effect of bonding between carboranes and CE at various loadings on the thermal expansion of the matrix was also studied using Thermomechanical Analyzer (TMA). PD carborane reduced the T g for P20 to about 225 °C while CE had T g >350 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dimensional Control of Octahedral Tilt in SrRuO 3 via Infinite-Layered Oxides

Manipulation of octahedral distortion at atomic scale is an effective means to tune the ground states of functional oxides. Previous work demonstrates that strain and film thickness are variable parameters to modify the octahedral parameters. However, selective control of bonding geometry by structural propagation from adjacent layers is rarely studied. Here we propose a new route to tune the ferromagnetism in SrRuO 3 (SRO) ultrathin layers by oxygen coordination of adjacent SrCuO 2 (SCO) layers. The infinite-layered CuO 2 exhibits a structural transformation from “planar-type” to “chain-type” with reduced film thickness. Two orientations dramatically modify the polyhedral connectivity at the interface, thus altering the octahedral distortion of SRO. The local structural variation changes the spin state of Ru and orbital hybridization strength, leading to a significant change in the magnetoresistance and anomalous Hall resistivity. Furthermore, these findings could launch investigations into adaptive control of functionalities in quantum oxide heterostructures using oxygen coordination.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Catalytic Reaction Triggered by Magnetic Induction Heating Mechanistically Distinguishes Itself from the Standard Thermal Reaction

As a recent advancement in chemical engineering, magnetic induction heating (MIH) is utilized to initiate the intended reactions by enabling the self-heating of the ferromagnetic catalyst particles. While MIH can be energy-efficient and industrially scalable, its full potential has been underappreciated in catalysis because of the perception that MIH is merely an alternative heating approach. Unexpectedly, we show that the MIH-triggered reaction could go beyond standard thermal catalysis. Specifically, by probing the representative Pt/Fe 3 O 4 catalysts with CO oxidation in both thermal and MIH modes with consistent temperature profiles and catalyst structures, we found that the MIH mode boosts the reactivity more than 25 times by modifying Pt-FeO x interfacial synergies and promoting facile oxidation of the adsorbed carbonyl species by atomic oxygen. Further, as we preliminarily observed, this beneficial MIH-catalysis can be translational to other thermal reactions, potentially paving the way to launch MIH-catalysis as a distinct reaction category.

CO oxidation↗
DOE OSTI2024

Evaluation of Subetadex-α-methyl, a Polyanionic Cyclodextrin Scaffold, as a Medical Countermeasure against Fentanyl and Related Opioids

Subetadex-α-methyl (SBX-Me), a modified, polyanionic cyclodextrin scaffold, has been evaluated for its utilization as a medical countermeasure (MCM) to neutralize the effects of fentanyl and related opioids. Initial in vitro toxicity assays demonstrate that SBX-Me has a nontoxic profile, comparable to the FDA-approved cyclodextrin-based drug Sugammadex. Pharmacokinetic analysis showed rapid clearance of SBX-Me with an elimination half-life of ~7.4 h and little accumulation in major organs. SBX-Me was also evaluated for its ability to counteract the effects of fentanyl, carfentanil, and remifentanil in rats. Recovery times in rats exposed to sublethal fentanyl doses were found to be shorter when treated with SBX-Me after opioid exposure. The recovery times were reduced from ~35 to ~17 min for fentanyl, ~172 to ~59 min for carfentanil, and ~18 to ~12 min for remifentanil. SBX-Me increased the elimination half-life for fentanyl and remifentanil from 5.37 to 6.42 h and 8.24 to 9.74 h, respectively. These data support SBX-Me as a solid platform from which further research can be launched for the development of a MCM against the effects of fentanyl and its analogs. Furthermore, the data suggests that SBX-Me and other analogs are attractive candidates as broad spectrum opioids targeting MCMs.

Chemistry↗
DOE OSTI2024

Epitaxial Core/Shell Nanocrystals of (Europium-Doped) Zirconia and Hafnia

A careful design of the nanocrystal architecture can strongly enhance the nanocrystal function. So far, this strategy has faced a synthetic bottleneck in the case of refractory oxides. Here we demonstrate the epitaxial growth of hafnia shells onto zirconia cores and pure zirconia shells onto europium-doped zirconia cores. The core/shell structures are fully crystalline. Upon shelling, the optical properties of the europium dopant are dramatically improved (featuring a more uniform coordination and a longer photoluminescence lifetime), indicating the suppression of nonradiative pathways. These results launch the stable zirconium and hafnium oxide hosts as alternatives for the established NaYF 4 systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Ultrafast Formation of Jahn–Teller Polarons Revealed by State-Selective Excitation in Correlated Spinel Co 3 O 4

Jahn–Teller polarons are quasiparticles that stem from symmetry breaking and strong local electron–phonon coupling. They originate from an excess charge carrier being dressed by a local lattice distortion, caused by the Jahn–Teller effect, and they critically impact electrical, structural, and magnetic properties in transition metal oxides. The observation of the microscopic steps involved in their formation is essential for enabling control over material properties through the targeted activation of local, site-specific modifications with light pulses. While Jahn–Teller distortion associated with polaron formation was predicted to contribute significantly to changes in electronic band gap and optical properties in Co 3 O 4 , its experimental observation remains elusive, requiring signatures of local symmetry reduction. In this work, we demonstrate Jahn–Teller polaron formation in spinel Co 3 O 4 . By exciting electronic transitions at 3.10 eV and 1.55 eV, we target either the Oh Cobalt(III) or the Td Cobalt(II) ions, and drive the subsequent coherent responses of the system through two different pathways. For the former, we demonstrate that ligand-to-metal charge transfer leads to Jahn–Teller polaron formation, which is linked to the deformation potential and magnetoelastic coupling. For the latter, we identify the coherent excitation of a T 2g phonon mode launched by on-site d-d electronic transitions. Key to our observations is the ability to target site-specific electronic excitations in spinel Co 3 O 4 using ultrafast optical pulses, while monitoring the ensuing low-energy collective modes through the coherent time-domain response of the material. Our approach, which combines the comparative analysis of experimental fingerprints with the support from density functional theory calculations, is broadly applicable to systems in which Jahn–Teller polaron physics has been theoretically predicted but remains experimentally unverified, and it underscores the potential of electronic-state targeting as a route to selectively excite and probe quasiparticle dynamics in solids.

Lattices↗
DOE OSTI2020

Interlaboratory Study for Characterizing Monoclonal Antibodies by Top-Down and Middle-Down Mass Spectrometry

The Consortium for Top-Down Proteomics (www.topdownproteomics.org) launched the present study to assess the state of top-down mass spectrometry (TD MS) and middle-down mass spectrometry (MD MS) for characterizing monoclonal antibody (mAb) primary structures, including their modifications. To meet the needs of the rapidly growing therapeutic antibody market, it is important to develop analytical strategies to characterize the heterogeneity of a therapeutic product’s primary structure reliably and reproducibly. The major objective of the present study was to determine whether current TD/MD MS technologies and protocols can add value to the more commonly employed bottom-up approaches, such as confirming protein integrity, sequencing variable domains, ruling out artefacts, and revealing modifications and their locations. A panel of three mAbs was selected and centrally provided to twenty laboratories worldwide for the analysis: Sigma mAb standard (SiLuLite), NIST mAb standard, and the therapeutic mAb Herceptin (trastuzumab). A variety of different MS instrument platforms and ion dissociation techniques were employed. Overall, the present study confirms that MD/TD MS strategies are valuable and readily available tools in laboratories worldwide. They provide complementary information to the bottom-up approach and can add unique information, which may be crucial for comprehensive mAb characterization. The current limitations, as well as possible solutions to overcome them, are also outlined. One of the limitations revealed by the results of the present study is that the expert knowledge in both experiment and data analysis is indispensable to practice TD/MD MS, but the number of TD/MD MS experts is still very low.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Evaluation of an Improved Convective Triggering Function: Observational Evidence and SCM Tests

This study provides a strong observational support for a recently developed convective triggering function that uses the large-scale dynamic convective available potential energy (dCAPE) as a constraint combined with an unrestricted air parcel launch level (ULL) to relax the unrealistic strong coupling of convection to surface heating and capture nocturnal elevated convection. Both case study and statistical analysis are conducted using the observations collected from the Department of Energy (DOE)'s Atmospheric Radiation Measurement (ARM) program at its Southern Great Plains (SGP) and Manaus (MAO) sites. They show that dCAPE has a much stronger correlation with precipitation than CAPE and ULL is essential to detect elevated convection above boundary layer under both midlatitude and tropical conditions and for both afternoon and nighttime deep convection regimes. Sensitivity tests with the single-column model (SCM) of DOE's Energy Exascale and Earth System Model (E3SM) indicate that the role of dCAPE in suppressing daytime convection is more effective for tropical convection than midlatitude convection. Even though the dCAPE can suppress the overestimated convection, ULL plays a much bigger role in improving the diurnal cycle of precipitation than dCAPE. It not only helps capture nocturnal elevated convection, but also significantly removes the spurious morning precipitation seen in the default model, due to the release of unstable energy at night. However, the use of ULL has led to an overestimation of light-to-moderate precipitation (1-10 mm/day) due to more convection being triggered above boundary layer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Calibration of the Falcon Solid-state Energetic Electron Detector (SEED)

The Falcon Solid-state Energetic Electron Detector (FalconSEED) is an energetic charged particle sensor that has been developed and tested at the United States Air Force Academy in an effort to monitor electron flux across the energy range of 14 to 145 keV in geosynchronous orbit. This sensor has been developed to complement ongoing efforts by the Air Force Research Laboratory to advance a comprehensive space environment sensor suite, Compact Environmental Anomaly Sensor (CEASE3), for anomaly resolution. In addition, FalconSEED is intended to demonstrate the ability to operate a radiation sensor based on predominantly commercial off the shelf components in the geosynchronous environment. This paper describes the design, development, and calibration of FalconSEED. The electron energy spectrum of interest for the FalconSEED sensor is 14 to 145 keV, and is intended to supplement data acquired from the CEASE3 instrument for anomaly resolution. The calibrations at the Space Atmospheric Research Center at the United States Air Force Academy and Kirtland Air Force Base were used to first establish the conversion between histogram bin number and deposited energy in the sensor, and second have been used to determine the geometric factor as a function of energy. The FalconSEED will be integrated as a science payload on the Space Test Program Satellite-6 which also includes the first flight of the CEASE3 instrument and is scheduled to launch in 2021.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

ECOSTRESS: NASA's Next Generation Mission to Measure Evapotranspiration From the International Space Station

Abstract The ECOsystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) was launched to the International Space Station on 29 June 2018 by the National Aeronautics and Space Administration (NASA). The primary science focus of ECOSTRESS is centered on evapotranspiration (ET), which is produced as Level‐3 (L3) latent heat flux ( LE ) data products. These data are generated from the Level‐2 land surface temperature and emissivity product (L2_LSTE), in conjunction with ancillary surface and atmospheric data. Here, we provide the first validation (Stage 1, preliminary) of the global ECOSTRESS clear‐sky ET product (L3_ET_PT‐JPL, Version 6.0) against LE measurements at 82 eddy covariance sites around the world. Overall, the ECOSTRESS ET product performs well against the site measurements (clear‐sky instantaneous/time of overpass: r 2 = 0.88; overall bias = 8%; normalized root‐mean‐square error, RMSE = 6%). ET uncertainty was generally consistent across climate zones, biome types, and times of day (ECOSTRESS samples the diurnal cycle), though temperate sites are overrepresented. The 70‐m‐high spatial resolution of ECOSTRESS improved correlations by 85%, and RMSE by 62%, relative to 1‐km pixels. This paper serves as a reference for the ECOSTRESS L3 ET accuracy and Stage 1 validation status for subsequent science that follows using these data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Electron Dropout Events and Flux Enhancements Associated With Geomagnetic Storms Observed by PROBA-V/Energetic Particle Telescope From 2013 to 2019

Electron flux variations for E > 500 keV during geomagnetic storms are investigated using the Energetic Particle Telescope (EPT). This detector launched in May 2013 on board the satellite PROBA-V at an altitude of 820 km was designed to provide uncontaminated spectra of electrons, protons, and alpha particles. Electron flux dropout events are observed during the main phase of each storm and even during substorms: a rapid reduction of the electron flux is noted throughout the outer electron radiation belt at all energies above about 0.5 MeV on timescales of a few hours. The electron spectrograms measured by the EPT between 2013 and 2019 show that after each geomagnetic storm, dropout events are followed by a flux enhancement starting first at low L values, and reaching the slot or even the inner belt for the strongest storms. We determine the link between Disturbed Storm Time (Dst) and the minimum value of the L-shell where the dropouts deplete the outer belt, as well as the nonlinear relation between Dst and the minimum L-shell where the flux penetrates in the slot region or even the inner belt during the storms. Dropouts appear at all energies measured by EPT and penetrate down to $\textit{L}$~3.5 for the strongest events. Dropouts are observed at Low Earth Orbit each time Dst has an inverted peak < –40 nT. Flux enhancements appear at lower L only for big storm events with Dst < –50 nT. They penetrate down to an impenetrable barrier with a minimum L-shell related to Dst and to the energy. For E > 1 MeV, this limit is also linked to the plasmapause position.

58 GEOSCIENCES↗
DOE OSTI2021

Global Hybrid Simulations of Interaction Between Interplanetary Rotational Discontinuity and Bow Shock/Magnetosphere: Can Ion-Scale Magnetic Reconnection be Driven by Rotational Discontinuity Downstream of Quasi-Parallel Shock?

Ion-scale magnetic reconnection has been observed downstream of the terrestrial quasi-parallel (Q-∥) shock. Whether it is driven by interplanetary discontinuities or turbulent Q-∥ shock, however, is unclear. Using three-dimensional global hybrid simulation, we investigate the generation of magnetic reconnection downstream of the Q-∥ shock, while an interplanetary rotational discontinuity (RD) is launched to the bow shock. Cases with various solar wind Alfvén Mach numbers, M A = 3.0 to 8, and propagation directions of the RD are presented. The propagation direction n is assumed to be in the GSE xz plane and pointing earthward, with n = (-sin(θ 12 /2),0,-cos(θ 12 /2)), where θ 12 is the angle between the upstream (B1) and downstream (B2) magnetic fields across the transmitted RD. It is found that magnetic reconnection occurs inside the RD downstream of the Q-∥ shock, forming flux ropes extending along the dawn-dusk direction about tens of ion inertial lengths. Large-amplitude low-frequency waves originated from the Q-∥ shock lead to the bending and squeezing of the field lines around the RD, which play an important role in triggering reconnection inside the RD. As the RD impacts the dayside magnetopause, magnetopause reconnection takes place between the field lines behind the RD and geomagnetic field lines. Nevertheless, no reconnection is found downstream of the Q-∥ shock itself or outside the RD in the magnetosheath. The existent and structure of reconnection in the magnetosheath are found to strongly depend on the parameters M A and n. Our simulation shows that ion-scale magnetic reconnection is driven by an external driver in the form of the compression of an RD around the bow shock and in the magnetosheath, rather than caused by the turbulent Q-∥ shock alone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Assimilation of X-band Phased-Array Radar Data with EnKF for the Analysis and Warning Forecast of a Tornadic storm

The impact of assimilating China's operational X-band Phased-Array radar's (X-PAR) data on the analysis and warning forecast of the vortex structure and intensity of the June 8, 2018 Foshan, Guangdong province, tornadic storm was investigated for the first time using an Ensemble Kalman Filter (EnKF) data assimilation system. Both radar radial velocity (Vr) and reflectivity (Z) from two S-band operational radars and one X-PAR were assimilated. Deterministic forecasts were launched every 6 min from 05:42 UTC (20 min before the tornado touched down) to 06:00 UTC from the EnKF mean analysis field. Five experiments were conducted to examine the added capability of Z assimilation of the EnKF system, and to investigate the impact of assimilating X-PAR data on the analysis and prediction of the tornadic storm. Compared to the experiment without Z assimilation, the assimilation of Z reduced the analysis error and greatly reduced the forecast error of Z. Furthermore, the assimilation of X-PAR data greatly improved the vortex structure of the tornadic storm at low levels, and improved the intensity of the rear inflow of the tornadic storm, especially with a higher assimilation frequency. Compared to the experiments without X-PAR data assimilation, assimilating X-PAR data improved the predictability of tornadic storm.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Propagation of Chorus Waves Generated in Minimum‐B Pockets

Abstract We present the first ray tracing results of chorus waves generated in minimum‐B pockets. A new ray tracer is developed to accommodate an arbitrary magnetic field model, which enables us to construct minimum‐B pocket geometries using the Tsyganenko (1989) model. Rays with different frequencies and initial wave normal angles are launched from minimum‐B pockets and traced under different geomagnetic activity and hot electron density conditions. Our results indicate that chorus waves generated from minimum‐B pockets are usually highly localized and thus are unlikely to be detected unless the spacecraft is very close to the source region. These waves are also very unlikely to propagate into the plasmasphere. The propagation distances generally decrease with increasing geomagnetic activity.

Kang, Ning↗
DOE OSTI2022

Achievements and Lessons Learned From Successful Small Satellite Missions for Space Weather‐Oriented Research

Abstract When the first CubeSats were launched nearly two decades ago, few people believed that the miniature satellites would likely prove to be a useful scientific tool. Skeptics abounded. However, the last decade has seen the highly successful implementation of space missions that make creative and innovative use of fast‐advancing CubeSat and small satellite technology to carry out important science experiments and missions. Several projects now have used CubeSats to obtain first‐of‐their‐kind observations and findings that have formed the basis for high‐profile engineering and science publications, thereby establishing without doubt the scientific value and broad utility of CubeSats. In this paper, we describe recent achievements and lessons learned from a representative selection of successful CubeSat missions with a space weather focus. We conclude that these missions were successful in part because their limited resources promoted not only mission focus but also appropriate risk‐taking for comparatively high science return. Quantitative analysis of refereed publications from these CubeSat missions and several larger missions reveals that mission outcome metrics compare favorably when publication number is normalized by mission cost or if expressed as a weighted net scientific impact of all mission publications.

Spence, Harlan E.↗
DOE OSTI2022

Wildfires Temperature Estimation by Complementary Use of Hyperspectral PRISMA and Thermal (ECOSTRESS & L8)

This paper deals with detection and temperature analysis and of wildfires using PRISMA imagery. Precursore IperSpettrale della Missione Applicativa (Hyperspectral Precursor of the Application Mission, PRISMA) is a new hyperspectral mission by ASI (Agenzia Spaziale Italiana, Italian Space Agency) launched in 2019. This mission provides hyperspectral images with a spectral range of 400–2,500 nm and an average spectral resolution less than 12 nm and a spatial resolution of 30 m/pixel. This study focuses on the wildfire temperature estimation over the Bootleg Fire, US 2021. The analysis starts by considering the Hyperspectral Fire Detection Index (HFDI) which is used to analyze the informative content of the images, along with the analysis of some specific visible, near-infrared and shortwave-infrared bands. This first analysis is used as input to perform a temperature estimation of the areas with active wildfire. Surface temperature is retrieved using PRISMA radiance and a linear mixing model based on two background components (vegetation and burn scar) and two active fire components. PRISMA temperatures are compared with LST (Land Surface Temperature) products from NASA's ECOSTRESS and Landsat 8 which imaged the Bootleg Fire before and after PRISMA. A critical discussion of the results obtained with PRISMA is presented, followed by the advantages and limitation of the proposed approach.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Revealing the Statistics of Extreme Events Hidden in Short Weather Forecast Data

Extreme weather events have significant consequences, dominating the impact of climate on society. While high-resolution weather models can forecast many types of extreme events on synoptic timescales, long-term climatological risk assessment is an altogether different problem. A once-in-a-century event takes, on average, 100 years of simulation time to appear just once, far beyond the typical integration length of a weather forecast model. Therefore, this task is left to cheaper, but less accurate, low-resolution or statistical models. But there is untapped potential in weather model output: despite being short in duration, weather forecast ensembles are produced multiple times a week. Integrations are launched with independent perturbations, causing them to spread apart over time and broadly sample phase space. Collectively, these integrations add up to thousands of years of data. We establish methods to extract climatological information from these short weather simulations. Using ensemble hindcasts by the European Center for Medium-range Weather Forecasting archived in the subseasonal-to-seasonal (S2S) database, we characterize sudden stratospheric warming (SSW) events with multi-centennial return times. Consistent results are found between alternative methods, including basic counting strategies and Markov state modeling. By carefully combining trajectories together, we obtain estimates of SSW frequencies and their seasonal distributions that are consistent with reanalysis-derived estimates for moderately rare events, but with much tighter uncertainty bounds, and which can be extended to events of unprecedented severity that have not yet been observed historically. These methods hold potential for assessing extreme events throughout the climate system, beyond this example of stratospheric extremes.

58 GEOSCIENCES↗