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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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DOE OSTI2024

A high-throughput workflow to analyze sequence-conformation relationships and explore hydrophobic patterning in disordered peptoids

Understanding how a macromolecule’s primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. Herein, we introduce a high-throughput workflow that implements a practical colorimetric conformational assay, introduces a semi-automated sequencing protocol using matrix-assisted laser desorption/ionization and tandem mass spectrometry (MALDI-MS/MS), and develops a generalizable sequence-structure algorithm. Using a model system of 20mer peptidomimetics containing polar glycine and hydrophobic N-butylglycine residues, we identified nine classifications of conformational disorder and isolated 122 unique sequences across varied compositions and conformations. Conformational distributions of three compositionally identical library sequences were corroborated through atomistic simulations and ion mobility spectrometry coupled with liquid chromatography. A data-driven strategy was developed using existing sequence variables and data-derived “motifs” to inform a machine-learning algorithm toward conformation prediction. Here, this multifaceted approach enhances our understanding of sequence-conformation relationships and offers a powerful tool for accelerating the discovery of materials with conformational control.

data-driven analysis↗

NASA NTRS1979

An evaluation of the Goddard Space Flight Center Library

The character and degree of coincidence between the current and future missions, programs, and projects of the Goddard Space Flight Center and the current and future collection, services, and facilities of its library were determined from structured interviews and discussions with various classes of facility personnel. In addition to the tabulation and interpretation of the data from the structured interview survey, five types of statistical analyses were performed to corroborate (or contradict) the survey results and to produce useful information not readily attainable through survey material. Conclusions reached regarding compatability between needs and holdings, services and buildings, library hours of operation, methods of early detection and anticipation of changing holdings requirements, and the impact of near future programs are presented along with a list of statistics needing collection, organization, and interpretation on a continuing or longitudinal basis.

Herner, S.↗

NASA NTRS1984

Flight evaluation of Spacelab 1 payload thermal/ECS interfaces

The Spacelab (SL-1) thermal/Environmental Control Systems (ECS) are discussed. Preflight analyses and flight data are compared in order to validate payload to Spacelab interfaces as well as corroborate modeling/analysis techniques. In doing so, a brief description of the Spacelab 1 payload configuration and the interactive Spacelab thermal/ECS systems are given. In particular, these interfaces address equipment cooling air, thermal and fluid conditions, humidity levels, both freon and water loop temperatures and load states, as well as passive radiant environment interfaces.

Ray, C. D.↗

NASA NTRS2004

The Tropical Convective Spectrum: Archetypal Vertical Structures - 1

A taxonomy of tropical convective vertical structures is constructed through cluster analysis of three years of Tropical Rainfall Measuring Mission [TRMM] Precipitation Radar [PR] vertical profiles, their surface rainfall and associated radar-based classifiers (convective/stratiform and bright band existence). archetypal profile types are identified. These include nine convective types, divided into warm, "just cold", midlevel, deep and deep/wet-growth categories, seven stratiform types, divided into warm, "just cold", midlevel and deep categories, three "mixed" types (deep profiles with low reflectivity aloft), and six fragment types (non-precipitating anvils and sheared deep convective profiles). The taxonomy allows for description of any storm or local Convective spectrum by the nine primary convective and stratiform types, a significant reduction over full three-dimensional radar data which nonetheless retains vertical structure information. The analysis provides a quasi-independent corroboration of the TRMM 2A23 convective/stratiform classification. The global frequency of occurrence and contribution to rainfall for the profile types is presented, demonstrating primary rainfall contribution by midlevel glaciated convection and similar depth decaying/stratiform stages. Close correspondence is found between deep convective profile frequency and annualized lightning production. Passive microwave and lightning properties associated with the profiles are reported, and cases presented illustrating known nonuniqueness problems with 85 and 37 GHz brightness temperature pairs (the same pairs corresponding to both convective and stratiform profiles), and how supplementary lightning information might be used to mitigate these problems.

Boccippio, Dennis J.↗

NASA NTRS2005

Mapping Weathering and Alteration Minerals in the Comstock and Geiger Grade Areas using Visible to Thermal Infrared Airborne Remote Sensing Data

To support research into both precious metal exploration and environmental site characterization a combination of high spatial/spectral resolution airborne visible, near infrared, short wave infrared (VNIR/SWIR) and thermal infrared (TIR) image data were acquired to remotely map hydrothermal alteration minerals around the Geiger Grade and Comstock alteration regions, and map the mineral by-products of weathered mine dumps in Virginia City. Remote sensing data from the Airborne Visible Infrared Imaging Spectrometer (AVIRIS), SpecTIR Corporation's airborne hyperspectral imager (HyperSpecTIR), the MODIS-ASTER airborne simulator (MASTER), and the Spatially Enhanced Broadband Array Spectrograph System (SEBASS) were acquired and processed into mineral maps based on the unique spectral signatures of image pixels. VNIR/SWIR and TIR field spectrometer data were collected for both calibration and validation of the remote data sets, and field sampling, laboratory spectral analyses and XRD analyses were made to corroborate the surface mineralogy identified by spectroscopy. The resulting mineral maps show the spatial distribution of several important alteration minerals around each study area including alunite, quartz, pyrophyllite, kaolinite, montmorillonite/muscovite, and chlorite. In the Comstock region the mineral maps show acid-sulfate alteration, widespread propylitic alteration and extensive faulting that offsets the acid-sulfate areas, in contrast to the larger, dominantly acid-sulfate alteration exposed along Geiger Grade. Also, different mineral zones within the intense acid-sulfate areas were mapped. In the Virginia City historic mining district the important weathering minerals mapped include hematite, goethite, jarosite and hydrous sulfate minerals (hexahydrite, alunogen and gypsum) located on mine dumps. Sulfate minerals indicate acidic water forming in the mine dump environment. While there is not an immediate threat to the community, there are clearly sources of acidic drainage that were identified remotely.

imaging spectroscopy↗

NASA NTRS2019

Advancements in the Aerosol Robotic Network (AERONET) Version 3 database – automated near-real-time quality control algorithm with improved cloud screening for Sun photometer aerosol optical depth (AOD) measurements

The Aerosol Robotic Network (AERONET) has provided highly accurate, ground-truth measurements of the aerosol optical depth (AOD) using Cimel Electronique Sun–sky radiometers for more than 25 years. In Version 2 (V2) of the AERONET database, the near-real-time AOD was semiautomatically quality controlled utilizing mainly cloud-screening methodology, while additional AOD data contaminated by clouds or affected by instrument anomalies were removed manually before attaining quality-assured status (Level 2.0). The large growth in the number of AERONET sites over the past 25 years resulted in significant burden to the manual quality control of millions of measurements in a consistent manner. The AERONET Version 3 (V3) algorithm provides fully automatic cloud screening and instrument anomaly quality controls. All of these new algorithm updates apply to near-real-time data as well as post-field-deployment processed data, and AERONET reprocessed the database in 2018. A full algorithm redevelopment provided the opportunity to improve data inputs and corrections such as unique filter-specific temperature characterizations for all visible and near-infrared wavelengths, updated gaseous and water vapor absorption coefficients, and ancillary data sets. The Level 2.0 AOD quality-assured data set is now available within a month after post-field calibration, reducing the lag time from up to several months. Near-real-time estimated uncertainty is determined using data qualified as V3 Level 2.0 AOD and considering the difference between the AOD computed with the pre-field calibration and AOD computed with pre-field and post-field calibration. This assessment provides a near-real-time uncertainty estimate for which average differences of AOD suggest a +0.02 bias and one sigma uncertainty of 0.02, spectrally, but the bias and uncertainty can be significantly larger for specific instrument deployments. Long-term monthly averages analyzed for the entire V3 and V2 databases produced average differences (V3–V2) of +0.002 with a ±0.02 SD (standard deviation), yet monthly averages calculated using time-matched observations in both databases were analyzed to compute an average difference of −0.002 with a ±0.004 SD. The high statistical agreement in multiyear monthly averaged AOD validates the advanced automatic data quality control algorithms and suggests that migrating research to the V3 database will corroborate most V2 research conclusions and likely lead to more accurate results in some cases.

David M. Giles↗

NASA NTRS1997

The Planet Mercury Surface Spectroscopy and Analysis from the Kuiper Airborne Observatory and Analysis and Modeling to Determine Surface Composition

We had two successful flights to observe Mercury from the Kuiper Airborne Observatory (KAO) using High-efficiency Infrared Faint-Object Grating Spectrograph (HIFOGS). Flights were May 8, 1995 (eastern elongation) and July 6, 1995 (western elongation) For the observations one half of the primary mirror was covered to prevent sunlight from entering the telescope. All equipment and the airplane and its crew performed well. These flights were historical firsts for the KAO and for spectroscopy of Mercury in that it was the first time any spectroscopic observations of Mercury from above the Earth's atmosphere had been made. It was the first time the KAO had been used to @bserve an object less than 30 degrees from the Sun. Upon completion of the basic data reduction it became obvious that extensive modeling and analysis would be required to understand the data. It took three years of a graduate student's time and part time the PI to do the thermal modeling and the spectroscopic analysis. This resulted in a lengthy publication. A copy of this publication is attached and has all the data obtained in both KAO flights and the results clearly presented. Notable results are: (1) The observations found an as yet unexplained 5 micron emission enhancement that we think may be a real characteristic of Mercury's surface but could have an instrumental cause; (2) Ground-based measurements or an emission maximum at 7.7 microns were corroborated. The chemical composition of Mercury's surface must be feldspathic in order to explain spectra features found in the data obtained during the KAO flights.

Sprague, Ann↗

NASA NTRS1994

A fixed-lag Kalman smoother for retrospective data assimilation

Analyses incorporating future data, as well as current and past data, are termed retrospective analyses. In this paper, the fixed-lag Kalman smoother (FLKS) is proposed as a means of providing retrospective analysis capability in data assimilation. The FLKS is a direct generalization of the Kalman filter. It incorporates all data observed up to and including some fixed amount of time past each analysis time. A computationally efficient form of the FLKS is derived. A simple scalar examination of the FLKS demonstrates that incorporating future data improves analyses the most in the presence of dynamical instabilities, for accurate models and for accurate observations. An implementation of the FLKS for two-dimensional linear shallow-water model corroborates the scalar analysis. The numerical experiments also demonstrate the ability of the FLKS to propagate information upstream as well as downstream, thus improving analysis quality substantially in data voids.

Cohn, Stephen E.↗

DOE OSTI2026

Assessing Metal Ion Assignment Accuracy in Protein Data Bank Models via Elemental Spectroscopy

Accurate representation of metal ions in macromolecular structures is critical for chemical interpretation, computational modeling, and machine-learning methods that rely on Protein Data Bank (PDB) entries. However, the elemental identity of metals modeled in crystallographic structures is often inferred indirectly and rarely validated experimentally. Here, we combine Particle Induced X-ray Emission (PIXE) and X-ray Fluorescence Spectroscopy (XRFS) to determine the elemental composition of protein samples used to generate 70 deposited metalloprotein crystal structures. By analyzing the original protein material employed for crystallization, but before the addition of crystallization buffer solutions, we assess whether the modeled metal ions in deposited structures are consistent with experimentally detectable elemental content. We find that in a majority of cases, the metals modeled in the corresponding PDB entries are inconsistent with the metals present in the protein samples before crystallization, or that additional metals are present but not represented in the structural models. Spectroscopic results were integrated with automated crystallographic validation metrics, including real-space Z-difference (RSZD) analysis and systematic rerefinement, to evaluate atomic-number mismatch at metal sites. PIXE and XRFS show strong agreement for dominant elemental signals and provide complementary, scalable approaches for identifying suspect metal assignments. This work does not address physiological or functional metalation but instead highlights a widespread data integrity issue in deposited macromolecular structures, PDB-wide. These results establish an experimentally corroborated link between elemental identity and crystallographic validation metrics, enabling the large-scale detection of chemically inconsistent annotations in structural databases used for computational modeling and machine learning.

Crystallization↗

NASA NTRS1971

Definition of defect size from ultrasonic inspection.

Attempt to obtain a set of relationships between testing parameters defining the range of defect size that can be associated with a given echo amplitude and defect depth. These relationships allow the user to find the largest defect that will return a signal equal to that from a flat hole of known diameter and depth, and the signal amplitude ratio between worst case and flat hole defects of equal diameter. The variation of the data with defect and testing parameters is shown. The results are obtained analytically, with laboratory corroboration, by calculation of the echo amplitude of the defect shape yielding the smallest return signal, a sphere, and the echo amplitude of the defect shape yielding the largest return signal, a flat hole.

Bennet, S. B.↗

NASA NTRS1981

RR Lyrae stars - A theoretical study of Bailey types a and b

The full-amplitude behaviour of theoretical models of RR Lyr stars pulsating in the fundamental mode has been explored with the use of Carson's radiative opacities. A detailed comparison of the models with metal-poor RR Lyr stars of Bailey types a and b suggests that these stars have properties that lie somewhere in the following ranges: mass/solar mass = 0.55-0.65, Y = 0.2 0.3, and log (luminosity/solar luminosity) = 1.6-1.7. In obtaining these results, the only data that are used are velocity curves and light curves. Independent information, however, seems to corroborate the values found here. The use of Los Alamos opacities gives somewhat similar results, although the derived masses are smaller by about 20%.

Stothers, R.↗

DOE OSTI2026

Quality and Loss Factor Characterization of YBCO Superconducting Transmission Lines for Axion Dark Matter Detection

Axion haloscope experiments aim to detect the conversion of axions into microwave photons under a strong magnetic field through resonant cavity techniques. The conversion produces an extremely small signal, requiring a cryogenic environment to reduce thermal noise, and low-loss superconducting transmission lines for minimal attenuation in the readout chain. Yttrium barium copper oxide (YBCO) cables are a promising candidate. Unlike commonly used low-loss cryogenic cables such as niobium (Nb) and niobium titanium (NbTi), which have low critical fields, YBCO is a high-temperature superconductor that can remain stable in strong magnetic fields. We characterized the quality and loss of five stripline resonators from the Brookhaven Technology Group: three YBCO, a copper reference, and a silver reference. Experimental methodology included collecting scattering parameter data on a vector network analyzer for the samples at 77 K along with room temperature baseline measurements, and employing both Lorentzian-fit and circle-fitting techniques to confirm the coupling regime and corroborate results. We achieved quality factors on the order of $10^3$ with corresponding loss factors on the order of $10^{-1}$ dB/m. Trends were comparable with literature data on Nb and NbTi at 4 K, which did have lower loss under these conditions, but suggested similar or perhaps better loss for YBCO when accounting for the temperature difference. We also developed a cryogenic probe for future measurements in a 14 T applied field at 30 mK. This will serve to directly evaluate YBCO's durability in magnetic fields, and we expect significantly improved performance at millikelvin temperatures.

Marinos, Z. [UCLA]↗

DOE OSTI2025

Observation of multiple flat bands and Van Hove singularities in the distorted kagome metal NdTi 3 Bi 4

Kagome materials have attracted enormous research interest recently owing to their diverse topological phases and manifestation of electronic correlation. Here, in this study, we present the electronic structure of a distorted ferromagnetic kagome metal, NdTi 3 ⁢Bi 4 , exhibiting a transition temperature of 9 K. Our investigation employs a combination of angle-resolved photoemission spectroscopy (ARPES) measurements and density functional theory (DFT) calculations. We discover the presence of two “flat” bands which are found to originate from the kagome structure formed by Ti atoms with a major contribution from Ti 𝑑 𝑥⁢𝑦 and Ti 𝑑 𝑥 2 −𝑦 2 orbitals. We also observed multiple Van Hove singularities (VHSs) in its electronic structure, with one VHS lying near the Fermi level. The ARPES data reveal the existence of Dirac cone at the $\overline{𝐾}$ point, a finding which is corroborated by our DFT calculations. These findings present a detailed electronic structure capable of hosting correlation-driven phenomenon in this novel ferromagnetic kagome metal.

Fermi surface↗

NASA NTRS2003

Molecular and functional analyses of the contractile apparatus in lymphatic muscle

Lymphatics are necessary for the generation and regulation of lymph flow. Lymphatics use phasic contractions and extrinsic compressions to generate flow; tonic contractions alter resistance. Lymphatic muscle exhibits important differences from typical vascular smooth muscle. In this study, the thoracic duct exhibited significant functional differences from mesenteric lymphatics. To understand the molecular basis for these differences, we examined the profiles of contractile proteins and their messages in mesenteric lymphatics, thoracic duct, and arterioles. Results demonstrated that mesenteric lymphatics express only SMB smooth muscle myosin heavy chain (SM-MHC), whereas thoracic duct and arterioles expressed both SMA and SMB isoforms. Both SM1 and SM2 isoforms of SM-MHC were detected in arterioles and mesenteric and thoracic lymphatics. In addition, the fetal cardiac/skeletal slow-twitch muscle-specific beta-MHC message was detected only in mesenteric lymphatics. All four actin messages, cardiac alpha-actin, vascular alpha-actin, enteric gamma-actin, and skeletal alpha-actin, were present in both mesenteric lymphatics and arterioles. However, in thoracic duct, predominantly cardiac alpha-actin and vascular alpha-actin were found. Western blot and immunohistochemical analyses corroborated the mRNA studies. However, in arterioles only vascular alpha-actin protein was detected. These data indicate that lymphatics display genotypic and phenotypic characteristics of vascular, cardiac, and visceral myocytes, which are needed to fulfill the unique roles of the lymphatic system.

Non-NASA Center↗

NASA NTRSDate not supplied

Method Development for Experimental Characterization of Dynamic Strength of Aluminum Structures

Space Flight Hardware (SFH) experiences intense vibratory loading during flight, which only lasts a few minutes. When determining the appropriate size of these components to withstand such loading without becoming damaged (plastically deforming or breaking), standard design practice is to assume that the peak dynamic loads are applied statically. In doing so, the resulting stress is compared against a material strength parameter obtained from a quasi-static experiment. Since the near-peak stresses are only experienced over a small fraction of time in reality, this approach leads to design conservatism that unnecessarily increases structural mass as well as the associated inefficiency and financial cost. In an effort to modernize engineering design standards to appropriately consider the higher practical strength of dynamically loaded structures, this overarching research project seeks to develop an experimental test procedure for quantifying the dynamic strength of metallic alloys as a function of excitation frequency. In the ideal case, the characterization test would include an in-situ method for monitoring the onset and progression of plastic deformation of the test specimen undergoing vibratory loading. These new tests are designed to be high intensity (forcing amplitude), short term (60 seconds at full amplitude), and cyclic in nature (sinusoidal excitation via attached stinger to an otherwise cantilevered beam). In addition, the initial metallic alloy under investigation is 6061 aluminum, due to its wide use and applicability for SFH. Thus far, the most promising monitoring method under development with live-capacity is to track hysteresis behavior of the beam from power dissipation trends, calculated via force (from transducer on excitation stinger) and velocity (measurements from Laser Doppler Vibrometer) data and work to distinguish between elastic and plastic features. As a key component of this ongoing method development, any pseudo-live indication of plasticity can be corroborated against the outcome of a pre-post assessment of damage via macroscopic evaluation of beam geometry (i.e. assessing any permanent change in the beam’s tip deflection). Support for experimental design decisions as well as dynamic strength data from tests with excitation frequencies of 10, 40, and 55 Hz will be discussed. This work contributes to the foundation for a new type of vibration-based characterization experiments and generates initial data on the functional strength of 6061 aluminum under the conditions considered. Keywords: vibrations, plastic deformation, aluminum

vibrations↗

NASA NTRSDate not supplied

Method Development for Experimental Characterization of Dynamic Strength of Aluminum Structures

Space Flight Hardware (SFH) experiences intense vibratory loading during flight, which only lasts a few minutes. When determining the appropriate size of these components to withstand such loading without becoming damaged, standard design practice is to assume that the peak dynamic loads are applied statically. In doing so, the resulting stress is compared against a material strength parameter obtained from a quasi-static experiment. Since the near-peak stresses are only experienced over a small fraction of time in reality, this approach leads to design conservatism that unnecessarily increases structural mass as well as the associated inefficiency and financial cost. In an effort to modernize engineering design standards to appropriately consider the higher practical strength of dynamically loaded structures, this overarching research project seeks to develop an experimental test procedure for quantifying the dynamic strength of metallic alloys as a function of excitation frequency. In the ideal case, the characterization test would include an in-situ method for monitoring the onset and progression of plastic deformation of the test specimen undergoing vibratory loading. These new tests are designed to be high intensity (forcing amplitude), short term (60 seconds at full amplitude), and cyclic in nature (sinusoidal excitation via attached stinger to an otherwise cantilevered beam). In addition, the initial alloy under investigation is 6061 aluminum, due to its wide use and applicability for SFH. Thus far, the primary candidate under development with live-capacity is to track hysteresis behavior of the beam from power dissipation trends, calculated via force (from transducer on excitation stinger) and velocity (measurements from Laser Doppler Vibrometer) data and work to distinguish between elastic and plastic features. As a key component of this ongoing method development, any pseudo-live indication of plasticity could be corroborated against the outcome of a pre-post assessment of damage via macroscopic evaluation of beam geometry (i.e. assessing any permanent change in the beam’s tip deflection). Support for experimental design decisions as well as dynamic strength data from tests with excitation frequencies of 10, 40, and 55 Hz will be discussed. This work contributes to the foundation for a new type of vibration-based characterization experiments and generates initial data on the functional strength of 6061 aluminum under the conditions considered.

vibrations, plastic deformation, aluminum, testing↗

DOE OSTI2024

Investigations of Relative Stability and Distribution of Mo Species in Pore Space of Mo/ZSM-5 Systems

Reduced forms of molybdenum (Mo) carbides anchoring in pore space of zeolites are considered as activated catalysts for the methane dehydroaromatization reaction. However, the atomic structure of the active sites and their stability under reactive conditions are still not clearly understood. Herein, we employ a synergistic theoretical and experimental approach to investigate this research gap. The Raman data shows the existence of the distributed binuclear and mononuclear Mo oxides in the pores that are corroborated by the hydrogen temperature-programmed reduction experiments. The binding free energies of mono- and bi-nuclear Mo carbides in straight and sinusoidal channels and their intersections as a function of temperature and anchoring sites have been determined. The catalysts with Mo coordinated at two anchoring sites are more stable compared to those located at the rings with one Al substitution. The activation energies of the catalysts migration to adjacent rings were estimated as a function of temperature and kinetics parameters of such migrations were determined. The migration is facilitated if there is one anchoring site shared between two rings. This process can contribute to an agglomeration mechanism leading to loss of catalytic activity.

Myshakin, Evgeniy↗

NASA NTRS1975

Preliminary results on ocean dynamics from Skylab and their implications for future spacecraft

The instrument aboard Skylab designated S193 - a combined passive and active microwave radar system acting as a radiometer, scatterometer, and altimeter - is used to measure the surface vector wind speeds in the planetary boundary layer over the oceans. Preliminary results corroborate the hypothesis that sea surface winds in the planetary boundary layer can be determined from satellite data. Future spacecraft plans for measuring a geoid with an accuracy up to 10 cm are discussed.

Hayes, J.↗