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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Targeting the Spike Receptor Binding Domain Class V Cryptic Epitope by an Antibody with Pan-Sarbecovirus Activity

Novel therapeutic monoclonal antibodies (MAbs) must accommodate comprehensive breadth of activity against diverse sarbecoviruses and high neutralization potency to overcome emerging variants. Here, in this study, we report the crystal structure of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) receptor binding domain (RBD) in complex with MAb WRAIR-2063, a moderate-potency neutralizing antibody with exceptional sarbecovirus breadth, that targets the highly conserved cryptic class V epitope. This epitope overlaps substantially with the spike protein N-terminal domain (NTD) -interacting region and is exposed only when the spike is in the open conformation, with one or more RBDs accessible. WRAIR-2063 binds the RBD of SARS-CoV-2 WA-1, all variants of concern (VoCs), and clade 1 to 4 sarbecoviruses with high affinity, demonstrating the conservation of this epitope and potential resiliency against variation. We compare structural features of additional class V antibodies with their reported neutralization capacity to further explore the utility of the class V epitope as a pan-sarbecovirus vaccine and therapeutic target.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2003

Groundbased Observations of Io [OI]6300 A Emission During the Galileo 124, 125, and Cassini Encounters

For the past 12 years, we have conducted a synoptic study of [OI] 6300 A emission from Io using the high-resolution (R 120,000) stellar spectrograph at the National Solar Observatory McMath-Pierce telescope. We showed in a recent paper that this emission allows us to use Io as a localized probe of the three-dimensional plasma torus structure. We report on selected recent spectroscopic observations of Io [OI] 6300 A emission obtained during the Galileo I24 (1999-Oct-11) and I25 (1999-Nov-26) encounters with Io and the Cassini Jupiter encounter (closest approach 2000-Dec-30). The exposure time for each spectrum was 15 minutes, with a 5.2 x 5.2 aperture centered on Io. We obtained over 100 spectra for the I24 encounter during 1999 October 9-13, over 100 spectra for the I25 encounter during 1999 November 24-30, and for the Cassini Jupiter flyby almost 600 spectra from 2000 December to 2001 January 21. We use our database of observations to track long- and short-term variations in torus structure. We compare our results to Galileo, Cassini, HST, and other groundbased contemporaneous observations to gain insight into torus variability and structure.

Oliversen, R. J.↗
DOE OSTI2020

Entangled Electrons Drive a Non-superexchange Mechanism in a Cobalt Quinoid Dimer Complex

A central theme in chemistry is the understanding of the mechanisms that drive chemical transformations. A well-known, highly cited mechanism in organometallic chemistry is the superexchange mechanism in which unpaired electrons on two or more metal centers interact through an electron pair of the bridging ligand. We use a combination of novel synthesis and computation to show that such interactions may in fact occur by a more direct mechanism than superexchange that is based on direct quantum entanglement of the two metal centers. Specifically, we synthesize and experimentally characterize a novel cobalt dimer complex with benzoquinoid bridging ligands and investigate its electronic structure with the variational two-electron reduced density matrix method using large active spaces. The result draws novel connections between inorganic mechanisms and quantum entanglement, thereby opening new possibilities for the design of strongly correlated organometallic compounds whose magnetic and spin properties have applications in superconductors, energy storage, thermoelectrics, and spintronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Electron structures in the cusp/cleft region observed by DE 2 satellite

Narrow enhancements of electron precipitation, with energy and flux well above typical values, have been observed with Dynamics Explorer 2 (DE 2) in the cusp/cleft region. The electron flux in the energy range 0.2-1 keV was 2 orders of magnitude higher in these structures than in the magnetosheath and were seen in approximaetly 80% of DE 2 cusp crossings at ionospheric altitudes. Typically, there was more than one electron structure in each cusp crossing. The position of these structures showed a systematic variation: for poleward ion dispersion (energy decreases with increasing latitude), electron structures were seen more often on the equatorial boundary of the cusp, while for equatorward ion dispersion (energy decreases with decreasing latitude), electron structures were more often seen on the poleward boundary. This suggests that the electron structures are associated with newly reconnected field lines. The electron spectra suggest that field-aligned acceleration processes could produce the electron structures, first near the boundary of the cusp/cleft during the reconnection of field lines and then in the cusp/cleft during the motion of reconnected flux tubes through the polar ionosphere.

Escoubet, C. P.↗
NASA NTRS1989

How will changes in carbon dioxide and methane modify the mean structure of the mesosphere and thermosphere?

A global average model of the coupled mesosphere, thermosphere, and ionosphere is used to examine the effect of trace gas variations on the overall structure of these regions. In particular, the variations caused by CO2 and CH4 doublings and halvings from present day mixing ratios are presented. The results indicate that the mesosphere and thermosphere temperatures will cool by about 10 K and 50 K, respectively, as the CO2 and CH4 mixing ratios are doubled. These regions are heated by similar amounts when the trace gas mixing ratios are halved. Compositional redistributions also occur in association with changes in the temperature profile. The results show that global change will occur in the upper atmosphere and ionosphere as well as in the lower atmosphere during the 21st century.

Roble, R. G.↗
DOE OSTI2020

A radiative transfer model for solar induced fluorescence using spectral invariants theory

Solar Induced chlorophyll Fluorescence (SIF) shows promise as an approach for estimating gross primary production (GPP) remotely. However, sun-target-sensor geometry and within-canopy absorption of SIF can alter the relationship between measured SIF and GPP, because sensors can only retrieve some unknown fraction of the total emitted SIF. Radiative transfer models that allow for variation in canopy structure and sensor angles are therefore needed to properly interpret SIF measurements. Spectral invariants allow decoupling of the wavelength-independent canopy structure and the wavelength-dependent leaf and soil spectrum in the radiative transfer process. Here we develop a simple analytical Fluorescence Radiative Transfer model based on Escape and Recollision probability (FluorRTER) to investigate the impact of canopy structure and sun-target-sensor geometry on SIF emissions. SIF simulations using the FluorRTER model agreed well the one-dimensional Soil-Canopy Observation of Photochemistry and Energy balance (SCOPE) model and the three-dimensional Fluorescence model with Weighted Photon Spread (FluorWPS) model. The fractional vegetation cover (FVC) and clumping effect have a large influence the SIF emission of 3D discontinuous canopies. For a moderate solar zenith angle (30°) and a clumped canopy (FVC?=?0.6), the difference between the directional observed SIF of a 3D discontinuous canopy and a 1D homogeneous canopy was as large as 43.2% and 38.4% for Photosystem I?+?II fluorescence at 685?nm and at 740?nm, respectively. By bridging the gap between observed SIF and total emitted SIF over 3D heterogeneous vegetation canopies, the FluorRTER model can assist with the angular normalization of SIF measurements and enable the more robust interpretation of how variations in SIF from directional and hemispherical in-situ, airborne and satellite observations relate to leaf and whole-canopy physiological processes.

Zeng, Yelu↗
NASA NTRS1994

Line profiles variations from atmospheric eclipses: Constraints on the wind structure in Wolf-Rayet stars

Binary systems in which one of the components has a stellar wind may present a phenomenon known as 'wind' or 'atmospheric eclipse', in which that wind occults the luminous disk of the companion. The enhanced absorption profile, relative to the spectrum at uneclipsed orbital phases, can be be modeled to yield constraints on the spatial structure of the eclipsing wind. A new, very efficient approach to the radiative transfer problem, which makes no requirements with respect to monotonicity of the velocity gradient or size of that gradient, is presented. The technique recovers both the comoving frame calculation and the Sobolev approximation in the appropiate limits. Sample computer simulations of the line profile variations induced by wind eclipses are presented. It is shown that the location of the wind absorption features in frequency is a diagnostic tool for identifying the size of the wind acceleration region. Comparison of the model profile variations with the observed variations in the Wolf-Rayet (W-R)+6 binary system V444 Cyg illustrate how the method can be used to derive information on the structure of the wind of the W-R star constrain the size of the W-R core radius.

Auer, L. H.↗
NASA NTRS2016

A Fragment-Cloud Model for Breakup of Asteroids with Varied Internal Structures

As an asteroid descends toward Earth, it deposits energy in the atmosphere through aerodynamic drag and ablation. Asteroid impact risk assessments rely on energy deposition estimates to predict blast overpressures and ground damage that may result from an airburst, such as the one that occurred over Chelyabinsk, Russia in 2013. The rates and altitudes at which energy is deposited along the entry trajectory depend upon how the bolide fragments, which in turn depends upon its internal structure and composition. In this work, we have developed an analytic asteroid fragmentation model to assess the atmospheric energy deposition of asteroids with a range of structures and compositions. The modeling approach combines successive fragmentation of larger independent pieces with aggregate debris clouds released with each fragmentation event. The model can vary the number and masses of fragments produced, the amount of mass released as debris clouds, the size-strength scaling used to increase the robustness of smaller fragments, and other parameters. The initial asteroid body can be seeded with a distribution of independent fragment sizes amid a remaining debris mass to represent loose rubble pile conglomerations, can be given an outer regolith later, or can be defined as a coherent or fractured monolith. This approach enables the model to represent a range of breakup behaviors and reproduce detailed energy deposition features such as multiple flares due to successive burst events, high-altitude regolith blow-off, or initial disruption of rubble piles followed by more energetic breakup of the constituent boulders. These capabilities provide a means to investigate sensitivities of ground damage to potential variations in asteroid structure.

Asteroid↗
NASA NTRS1994

The broad emission line and continuum variations of Seyfert galaxies. 2: Broad-line region structure and kinematics

Spectroscopic observations of 13 Seyfert 1 galaxies made from 1979 to 1984 at Palomar and Steward Observatories were analyzed for H beta line profile variations. Significant profile changes were detected in five galaxies. These variations are often associated with changes in continuum and/or H beta strength, suggesting a causal connection between variations in the continuum source and changes in emission-line profiles. Moreover, the overall strength of H beta line flux variations is strongly correlated with line width in the far wings, whereas no such correlation was found in the line core. This finding is consistent with previous observations (Shuder 1982) which suggest that higher velocity gas lies closer to the central continuum source, since this inner gas would be expected to track variations more closely. In each of the five galaxies in which H beta line profile variations were detected, particularly NGC 5548 and Mrk 6, only two distinct line profile shapes were observed. Since intermediate profile types were not detected, the transition from one type to the other must occur rapidly (within a few months). These rapid line profile variations are thus consistent with numerous other studies which strongly point to a small broad-line region (BLR) size in Seyfert galaxies. Observational models of BLR kinematics and structure for each of the galaxies in the present sample are presented. Line asymmetries suggest that radial motions exist in the BLRs of most of these objects. Chaotic motions also appear to be quite common. However, evidence for rotational motion was observed in only one case. A model that is consistent with the majority of this sample incorporates both radial and chaotic motions combined with some form of external obscuration such as an optically and geometrically thick torus.

Rosenblatt, Edward I.↗
NASA NTRS1974

Thermal structure of the Martian atmosphere during the dissipation of the dust storm of 1971

The secular variation of the thermal structure of the Martian atmosphere during the dissipation phase of the 1971 dust storm is examined, using temperatures obtained by the infrared spectroscopy investigation on Mariner 9. For the latitude range -20 to -30, the mean temperature at the 2mb level is found to decrease from approximately 220K in mid-December 1971 to about 190K by June 1972 while for the 0.3mb level a decrease from 203K to 160K is observed. Over the same period, the amplitude of the diurnal temperature wave also decreased. Assuming a simplified radiative heating model, the dust optical depth is found to decrease approximately exponentially with an e-folding time of about 60 days at both the 0.3 and 2mb levels. Stokes-Cunningham settling alone cannot account for this behavior. Sedimentation models which include both gravitational settling and vertical mixing are developed in an effort to explain the time evolution of the dust.

Conrath, B. J.↗
NASA NTRS1975

Thermal structure of the Martian atmosphere during the dissipation of the dust storm of 1971

The secular variation of the thermal structure of the Martian atmosphere during the dissipation phase of the 1971 dust storm is examined, using temperatures obtained by the infrared spectroscopy investigation on Mariner 9. For the latitude range -20 to -30 deg, the mean temperature at the 2-mbar level is found to decrease from approximately 220 K in mid-December 1971 to about 190 K by June 1972 while for the 0.3-mbar level a decrease from 203 K to 160 K is observed. Over the same period, the amplitude of the diurnal temperature wave also decreased. Assuming a simplified radiative heating model, the dust optical depth is found to decrease approximately exponentially with an e-folding time of about 60 days at both the 0.3- and 2-mbar levels. Stokes-Cunningham settling alone cannot account for this behavior. Sedimentation models which include both gravitational settling and vertical mixing are developed in an effort to explain the time evolution of the dust.

Conrath, B. J.↗
NASA NTRS2021

Comprehensive Comparison of Airborne and Spaceborne SAR and LiDAR Estimates of Forest Structure in the Tallest Mangrove Forest on Earth

A recent suite of new global-scale satellite sensors and regional-scale airborne campaigns are providing a wealth of remote sensing data capable of dramatically advancing our current understanding of the spatial distribution of forest structure and carbon stocks. However, a baseline for forest stature and biomass estimates has yet to be established for the wide array of available remote sensing products. At present, it remains unclear how the estimates from these sensors compare to one another in terrestrial forests, with a clear dearth of studies in high carbon density mangrove ecosystems. In the tallest mangrove forest on Earth (Pongara National Park, Gabon), we leverage the data collected during the AfriSAR campaign to evaluate 17 state-of-the-art sensor data products across the full range of height and biomass known to exist globally in mangrove forest ecosystems, providing a much-needed baseline for sensor performance. Our major findings are: (Houghton, Hall, Goetz) height estimates are not consistent across products, with opposing trends in relative and absolute errors, highlighting the need for an adaptive approach to constraining height estimates (Panet al., 2011); radar height estimates had the lowest calibration error and bias, with further improvements using LiDAR fusion (Bonan, 2008); biomass variability and uncertainty strongly depends on forest stature, with variation across products increasing with canopy height, while relative biomass variation was highest in low-stature stands (Le Quéréet al., 2017); a remote sensing product's sensitivity to variations in canopy structure is more important than the absolute accuracy of height estimates (Mitchardet al., 2014); locally-calibrated area-wide totals are more representative than generalized global biomass models for high-precision biomass estimates. The findings presented here provide critical baseline expectations for height and biomass predictions across the full range of mangrove forest stature, which can be directly applied to current (TanDEM-X, GEDI, ICESat-2) and future (NISAR, BIOMASS) global-scale forest monitoring missions.

Atticus E.L. Stovall↗
DOE OSTI2024

Charge-lattice coupling and the dynamic structure of the U–O distribution in UO 2+x

The different structures and behaviors of UO 2+x observed in crystallographic and local structure measurements were examined by extended X-ray absorption fine structure (EXAFS) measurements of pristine UO 2.0 , p + and He 2+ irradiated UO 2.0 , and, at multiple temperatures, bulk U 4 O 9 and U 3 O 7 and thin film U 4 O 9-δ on an epitaxial substrate. The disorder caused by irradiation is mostly limited to increased widths of the existing U–O/U pair distributions, with any new neighbor shells being minor. As has been previously reported, the disorder caused by oxidative addition to U 4 O 9 and U 3 O 7 is much more extensive, resulting in multisite U–O distributions and greater reduction of the U–U amplitude with different distributions in bulk and thin-film U 4 O 9 . This includes the significant spectral feature near R = 1.2 Å for all U 4 O 9 and U 3 O 7 samples fit with a U-oxo type moiety with a U–O distance around 1.7 Å. In addition to indicating that these anomalies only occur in mixed valence materials, this work confirms the continuous rearrangement of the U–O distributions from 10 to 250 K. Although these variations of the structure are not observed in crystallography, their prominence in the EXAFS indicates that the dynamic structure underlying these effects is an essential factor of these materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

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

Reward Driven Workflows for Unsupervised Explainable Analysis of Phases and Ferroic Variants From Atomically Resolved Imaging Data

Rapid progress in aberration corrected electron microscopy necessitates development of robust methods for the identification of phases, ferroic variants, and other pertinent aspects of materials structure from imaging data. While unsupervised methods for clustering and classification are widely used for these tasks, their performance can be sensitive to hyperparameter selection in the analysis workflow. In this study, the effects of descriptors and hyperparameters are explored on the capability of unsupervised ML methods to distill local structural information, exemplified by the discovery of polarization and lattice distortion in Sm − dopped BiFeO 3 (BFO) thin films. It is demonstrated that a reward-driven approach can be used to optimize these key hyperparameters across the full workflow, where rewards are designed to reflect domain wall continuity and straightness, ensuring that the analysis aligns with the material's physical behavior. This approach allows the discovery of local descriptors that are best aligned with the specific physical behavior, providing insight into the fundamental physics of materials. The reward driven workflow is further extended to disentangle structural factors of variation via an optimized variational autoencoder (VAE). Lastly, the importance of well-defined rewards is explored as a quantifiable measure of the success of the workflow.

Barakati, Kamyar [University of Tennessee, Knoxvil↗
DOE OSTI2024

Multi‐Material Gradient Printing Using Meniscus‐enabled Projection Stereolithography (MAPS)

Light‐based additive manufacturing methods are widely used to print high‐resolution 3D structures for applications in tissue engineering, soft robotics, photonics, and microfluidics, among others. Despite this progress, multi‐material printing with these methods remains challenging due to constraints associated with hardware modifications, control systems, cross‐contamination, waste, and resin properties. Here, a new printing platform coined Meniscus‐enabled Projection Stereolithography (MAPS) is reported, a vat‐free method that relies on generating and maintaining a resin meniscus between a crosslinked structure and bottom window to print lateral, vertical, discrete, or gradient multi‐material 3D structures with no waste and user‐defined mixing between layers. MAPS is compatible with a wide range of resins shown and can print complex multi‐material 3D structures without requiring specialized hardware, software, or complex washing protocols. MAPS's ability to print structures with microscale variations in mechanical stiffness, opacity, surface energy, cell densities, and magnetic properties provides a generic method to make advanced materials for a broad range of applications.

bioprinting↗
DOE OSTI2021

The Wasatch Environmental Observatory: A mountain to urban research network in the semi‐arid western US

Abstract The 2085 km 2 Jordan River Basin, and its seven sub‐catchments draining the Central Wasatch Range immediately east of Salt Lake City, UT, are home to an array of hydrologic, atmospheric, climatic and chemical research infrastructure that collectively forms the Wasatch Environmental Observatory (WEO). WEO is geographically nested within a wildland to urban land‐use gradient and built upon a strong foundation of over a century of discharge and climate records. A 2200 m gradient in elevation results in variable precipitation, temperature and vegetation patterns. Soil and subsurface structure reflect systematic variation in geology from granitic, intrusive to mixed sedimentary clastic across headwater catchments, all draining to the alluvial or colluvial sediments of the former Lake Bonneville. Winter snowfall and spring snowmelt control annual hydroclimate, rapid population growth dominates geographic change in lower elevations and urban gas and particle emissions contribute to episodes of severe air pollution in this closed‐basin. Long‐term hydroclimate observations across this diverse landscape provide the foundation for an expanding network of infrastructure in both montane and urban landscapes. Current infrastructure supports both basic and applied research in atmospheric chemistry, biogeochemistry, climate, ecology, hydrology, meteorology, resource management and urban redesign that is augmented through strong partnerships with cooperating agencies. These features allow WEO to serve as a unique natural laboratory for addressing research questions facing seasonally snow‐covered, semi‐arid regions in a rapidly changing world and an excellent facility for providing student education and research training.

Follstad Shah, Jennifer J.↗