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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Multi-modal dynamic radiography using short-pulse laser-generated probe beams

Radiography is an important tool for the interrogation of dynamic experiments in the fields of dynamic properties of materials, and in condensed matter, high explosive, and high-energy-density physics. Multi-modal radiography advances the hypothesis that combining the information delivered by multiple radiographic modalities can lead to more constrained (improved) “reconstruction” of the scene than can be obtained from a single probe. We identify four modalities: multi-probe, time sequence, multi-view, and multi-messenger. Multi-probe radiography is a promising candidate for a next-generation dynamic radiographic facility. High-energy X-rays are the most frequently used probe for dynamic radiography, although recent developments show the utility of proton (pRad), electron (eRad), and neutron probe beams. Because each probing species interacts with material in the radiographic scene through quantitatively different mechanisms, each returns independent information about the scene, which can add extra constraints to the reconstruction process. How to conduct detailed, quantitative “co-analysis” of multiple data streams remains an area of active research. Multi-beam, short-pulse, laser-generated probes offer sufficient dose, an appropriate spectrum, and appropriate spatio-temporal resolution to produce high-quality dynamic radiographs. This paper reports on technology development to advance the state of the art of multi-modal/multi-probe radiography and the pursuit of both deterministic and inferential (AI/ML assisted) co-analysis methodologies to produce more constrained reconstructions from multi-modal data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1979

Characteristics of trough region auroral patches and detached arcs observed by Isis 2

All of the data presented in this paper were obtained from the Isis 2 satellite, which was launched into a 1400-km near-circular polar orbit in April 1971. Instruments used in this study include the topside sounder for providing vertical profiles of the electron density, the Langmuir probe for measuring electron temperature and concentration, and the auroral scanning photometer for detecting optical emissions at 5577 A and 3914 A. Two distinct types of auroras (east-west-aligned oval-shaped 'patches', and isolated east-west 'detached arcs') are observed in the trough region (almost exclusively in the Northern Hemisphere) equatorward of the diffuse auroral boundary. Attention is given to comparison of patches and detached arcs, relation to magnetic indices, and relation to detached plasma and ELF hiss.

Moshupi, M. C.↗
NASA NTRS1986

Simultaneous rocket and MST radar observation of an internal gravity wave breaking in the mesosphere

In June, 1983, the Structure and Atmospheric Turbulence Environment (STATE) rocket and Poker Flat Mesophere-Stratosphere-Troposphere radar campaign was conducted to measure the interaction between turbulence, electron density and electron density gradient that has produced unusually strong MST radar echoes from the summer mesosphere over Poker Flat, Alaska. Analysis or radar wind measurements and a concurrent wind and temperature profile obtained from a rocket probe carrying a three-axis accelerometer are given. The two data sets provide a fairly complete (and in some cases, redundant) picture of the breaking (or more correctly, the saturation) of a large-amplitude, low-frequency, long-wavelength internal gravity wave. The data show that small-scale turbulence and small-scale wave intensity is greatest at those altitudes where the large-scale wave-induced temperature lapse rate is most negative or most nearly unstable, but the wind shear due to the large-scale wave is a minimum. A brief review of linear gravity-wave theory is presented as an aid to the identification of the gravity-wave signature in the radar and rocket data. Analysis of the time and height cross sections of wind speed and turbulence intensity observed by the Poker Flat MST radar follows. Then, the vertical profile of temperature and winds measured by a rocket probe examined. Finally, the use of the independent data sets provided by the rocket and the radar are discussed and implications for theories of wave saturation are presented.

Smith, S. A.↗
NASA NTRS1987

Ionospheric electron temperature at solar maximum

Langmuir-probe measurements made at solar maximum from the DE-2 satellite in 1981 and 1982 are used to examine the latitudinal variation of electron temperature at altitudes between 300 and 400 km and its response to 27-day variations of solar EUV. A comparison of these data with models based on solar-minimum measurements from the AE-C suggests that the daytime electron temperature does not change very much during the solar cycle except at low latitudes where a particularly large 27-day variation occurs. It is found that the daytime electron temperature near the F2 peak is more responsive to short-term variations in F10.7 than to any longer-term changes that may occur between solar minimum and maximum.

Brace, L. H.↗
NASA NTRS2022

Vibrational and Rovibrational Spectroscopy Applied to Astrochemistry

The detection of molecules in astrophysical environments almost always requires remote sensing. While radioastronomical observation and associated rotational spectroscopy are powerful astronomical tools, infrared spectral analysis provides a unique means of examining the observable universe, especially for molecules where permanent dipole moments are small or even non-existent. The molecular vibrations of small molecules are now able to be modeled via quantum chemistry and electronic structure theory conjoined to vibrational analysis to within spectroscopic accuracy in many cases. This chapter will showcase this success and build upon it to show how such advances are now being leveraged to describe molecular vibrations for molecules containing dozens of atoms, electronically excited states, "hot bands," exoplanetary atmospheric opacity data, and even emission of polycyclic aromatic hydrocarbons. All of these are required to prune the interstellar spectral garden of its "weeds" in search of "flowers" that will provide the necessary fingerprints for astronomers to be able to probe the heavens for its past, present, and future secrets.

Ryan C. Fortenberry↗
DOE OSTI2022

PIONEER: Studies of Rare Pion Decays

A next-generation rare pion decay experiment, PIONEER, is strongly motivated by several inconsistencies between Standard Model (SM) predictions and data pointing towards the potential violation of lepton flavor universality. It will probe non-SM explanations of these anomalies through sensitivity to quantum effects of new particles even if their masses are at very high scales. Measurement of the charged-pion branching ratio to electrons vs. muons $R_{e/\mu}$ is extremely sensitive to new physics effects. At present, the SM prediction for $R_{e/\mu}$ is known to 1 part in $10^4$, which is 15 times more precise than the current experimental result. An experiment reaching the theoretical accuracy will test lepton flavor universality at an unprecedented level, probing mass scales up to the PeV range. Measurement of pion beta decay, $\pi^+\to \pi^0 e^+ \nu (\gamma)$, with 3 to 10-fold improvement in sensitivity, will determine $V_{ud}$ in a theoretically pristine manner and test CKM unitarity, which is very important in light of the recently emerged tensions. In addition, various exotic rare decays involving sterile neutrinos and axions will be searched for with unprecedented sensitivity. The experiment design benefits from experience with the recent PIENU and PEN experiments at TRIUMF and the Paul Scherrer Institut (PSI). Excellent energy and time resolutions, greatly increased calorimeter depth, high-speed detector and electronics response, large solid angle coverage, and complete event reconstruction are all critical aspects of the approach. The PIONEER experiment design includes a 3$\pi$ sr 25 radiation length calorimeter, a segmented low gain avalanche detector stopping target, a positron tracker, and other detectors. Using intense pion beams, and state-of-the-art instrumentation and computational resources, the experiments can be performed at the PSI ring cyclotron.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

A Gapped Phase in Semimetallic T d -WTe 2 Induced by Lithium Intercalation

The Weyl semimetal WTe 2 has shown several correlated electronic behaviors, such as the quantum spin Hall effect, superconductivity, ferroelectricity, and a possible exciton insulator state, all of which can be tuned by various physical and chemical approaches. A new electronic phase in WTe 2 induced by lithium intercalation is discovered. The new phase exhibits an increasing resistivity with decreasing temperature and its carrier density is almost two orders of magnitude lower than the carrier density of the semimetallic T d phase, probed by in situ Hall measurements as a function of lithium intercalation. The theoretical calculations predict the new lithiated phase to be a potential charge density wave (CDW) phase with a bandgap of ≈0.14 eV, in good agreement with the in situ transport data. The new phase is structurally distinct from the initial T d phase, characterized by polarization-angle-dependent Raman spectroscopy, and large lattice distortions close to 6% are predicted in the new phase. This finding of a new gapped phase in a 2D semimetal demonstrates electrochemical intercalation as a powerful tuning knob for modulating electron density and phase stability in 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Data-guided Multi-Map variables for ensemble refinement of molecular movies

Driving molecular dynamics simulations with data-guided collective variables offer a promising strategy to recover thermodynamic information from structure-centric experiments. In this study, the three-dimensional electron density of a protein, as it would be determined by cryo-EM or x-ray crystallography, is used to achieve simultaneously free-energy costs of conformational transitions and refined atomic structures. Unlike previous density-driven molecular dynamics methodologies that determine only the best map-model fits, our work employs the recently developed Multi-Map methodology to monitor concerted movements within equilibrium, non-equilibrium, and enhanced sampling simulations. Construction of all-atom ensembles along the chosen values of the Multi-Map variable enables simultaneous estimation of average properties, as well as real-space refinement of the structures contributing to such averages. Using three proteins of increasing size, we demonstrate that biased simulation along the reaction coordinates derived from electron densities can capture conformational transitions between known intermediates. The simulated pathways appear reversible with minimal hysteresis and require only low-resolution density information to guide the transition. The induced transitions also produce estimates for free energy differences that can be directly compared to experimental observables and population distributions. The refined model quality is superior compared to those found in the Protein Data Bank. We find that the best quantitative agreement with experimental free-energy differences is obtained using medium resolution density information coupled to comparatively large structural transitions. Practical considerations for probing the transitions between multiple intermediate density states are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

Petrology, Geochemistry, and Pairing of Lunar Meteorites from the Dominion Range

Introduction: During the 2018-2019 Antarctic Search for Meteorites (ANSMET) field season in the Dominion Range (DOM), 7 lunar meteorite stones were collected: DOM 18242 (15.1 g), DOM 18244 (25.1 g), DOM 18262 (6.8 g), DOM 18509 (16.5 g), DOM 18543 (13.6 g), DOM 18666 (45.9 g), and DOM 18678 (11.6 g). Here we present the initial results of electron microprobe and X-ray computed tomography (XCT) studies of these stones and look at the details of their petrography and mineral chemistry, as well as investigate possible pairing relationships, both with each other and with previously described lunar meteorites. Most of the work presented here is on the DOM 18509, 18543, and 18678 stones; subsamples of the other stones are in hand and similar measurements will be made on them by the time of the meeting. Methods: Textures in DOM 18509, DOM 18543, and DOM 18678 were characterized in 2D by optical microscopy, backscattered electron (BSE) imaging and elemental X-ray images on thin sections, as well as in 3D by X-ray computed tomography (XCT) on sample chips. Mineral compositions were assessed through a combination of wavelength dispersive spectroscopy EPMA (electron probe microanalysis) and x-ray mapping on the JEOL 8530 at NASA JSC. The bulk composition of all three meteorites was determined based on analyses of the fusion crust glass. XCT analyses were done on the Nikon XTH 320 at NASA JSC. ICP-MS data on bulk rock subsamples for each meteorite will be carried out in the near future. Results: The stones are all similar in macroscopic appearance with a dark aphanitic matrix hosting a variety of small- to medium-sized angular mineral and lithic fragments (often light colored in nature) [1,2]. Based on EPMA and XCT results, the three meteorites are polymict regolith breccias comprised of mineral, glass, and lithic clasts ranging up to several mm in length. Melt veins run through all three meteorite samples. Mineral clasts in all 3 stones are dominated by pyroxene and plagioclase (An82-96), with minor amounts of SiO2, olivine (Fo1-52), and FeTi-oxides. Pyroxene grains are mostly Fe-rich pigeonite and augite, and larger clasts are normally zoned and have fine exsolution lamellae. The lithic clasts in all stones consists of: (1) basalt clasts that contain zoned pyroxene, plagioclase laths, and ilmenite, with minor silica and Fe-rich olivine; (2) granulitic clasts; (3) anorthosite clasts; (4) Si-rich clasts that also contain ilmenite, troilite, high-Ca pyroxene, fayalite, and K-feldspar likely mesostasis from late stage basalts). All three meteorites contain glassy fusion crust that is highly vesicular, high in FeO and Al2O3 (15-17 wt% each), ferroan (Mg# of 23-24), and moderately rich in TiO2 (1.4-1.8 wt%). The composition of the fusion crust can serve as a proxy for the bulk meteorite composition and is identical within error for all three meteorites. Implications: The lithic and mineral clasts in all three stones are similar in clast population and assemblages as well as mineral chemistry. In addition, the fusion crust composition, a proxy for bulk composition, is within error of each other for all three stones. Thus DOM 18509, DOM 18543, and DOM 18678 are almost certainly paired. Based on similarities in macroscopic description as well as preliminary classification data [1,2], all 7 lunar stones from DOM are likely paired, though additional quantitative analyses are needed to confirm this. The presence of spherules and vesicular fusion crusts indicates that the DOM pairing group is a regolith breccia. The presence of basaltic and gabbroic clasts as well as more feldspathic materials, suggest that the regolith from which these meteorites formed contained a mixture of feldspathic highland material and mare material, suggesting a possible provenance near a marehighlands boundary. No evidence of KREEPy lithologies have been observed so far in these meteorites, however, future ICP-MS data on bulk rock chips for the stones will reveal any KREEP component if present. The DOM pairing group has many similarities to previously described lunar breccia meteorite MET 01210, however more detailed compositional data will be needed to make a definitive comparison.

R.A. Zeigler↗
DOE OSTI2025

Benchmarking DFT Accuracy in Predicting O 1s Binding Energies on Metals

X-ray photoelectron spectroscopy (XPS) is a powerful tool for probing the electronic structure and composition of materials, particularly metals and metal oxides of relevance to solar cells and catalysis. Density functional theory (DFT) is often used to support XPS peak assignments, but its reliability for predicting oxygen species is not well established. Here, we compile a large data set of experimental oxygen binding energies and evaluate corresponding DFT predictions. We find that as the binding energies of metal-bound atomic oxygen species increase, especially above ≈530 eV, there is a general decrease in the accuracy of DFTpredicted values. Thus, high-binding-energy atomic oxygen species, such as those proposed as active for selective Ag-catalyzed epoxidation, are less well represented. The chemical nature of the oxygen species also influences accuracy, with molecularly bound species more reliably captured across the entire range of energies. These findings illustrate the limitations of DFT for interpreting XPS spectra and provide a benchmark for improving computational methods.

Adsorption↗
NASA NTRS1979

The study of 'microsurfaces' using thermal desorption spectroscopy

The use of a newly combined ultrahigh vacuum technique for studying continuous and particulate evaporated thin films using thermal desorption spectroscopy (TDS), transmission electron microscopy (TEM), and transmission electron diffraction (TED) is discussed. It is shown that (1) CO thermal desorption energies of epitaxially deposited (111) Ni and (111) Pd surfaces agree perfectly with previously published data on bulk (111) single crystal, (2) contamination and surface structural differences can be detected using TDS as a surface probe and TEM as a complementary technique, and (3) CO desorption signals from deposited metal coverages of one-thousandth of a monolayer should be detectable. These results indicate that the chemisorption properties of supported 'microsurfaces' of metals can now be investigated with very high sensitivity. The combined use of TDS and TEM-TED experimental methods is a very powerful technique for fundamental studies in basic thin film physics and in catalysis.

Thomas, M. E.↗
DOE OSTI2020

Probing the Electronic Structure of a Thorium Nitride Complex by Solid-State 15N NMR Spectroscopy

The solid-state 15N NMR powder spectra of the thorium nitride complex, [K(18-crown-6)(THF)2][(R2N)3Th(m-15N)(Th(NR2)3] ([K][1-15N], R = SiMe3), and the thorium amide complex, [Th(NR2)3(15NH2)] (2-15N) were recorded. The spectrum for [K][1-15N] represents the first reported solid-state 15N NMR data for an actinide nitride complex. The experimentally measured tensor spans are 847 ppm for [K][1-15N] and 237 ppm for 2-15N. Both shielding tensors exhibit a near-zero asymmetry parameter, which for [K][1-15N] is consistent with a local rotational symmetry of its 15N-labelled nitride ligand. For 2-15N, the lack of asymmetry can be rationalized by a quasi-free Th-NH2 bond rotation in the solid-state. DFT calculations overestimate the tensor span somewhat for [K][1-15N], but provide isotropic shifts in good agreement with both the solid-state and solution values for both complexes. Natural localized molecular orbital (NLMO) analyses of the nuclear shielding reveal that the larger tensor span in [K][1-15N] vs. 2-15N is primarily a consequence of more pronounced covalency of the N-Th bonds, and large spin-orbit coupling due to significant Th 5f orbital contribution to those bonds, impacting the principal components of the shielding tensor perpendicular to the Th-N-Th axis. Overall, our analysis confirms the involvement of the 5f orbitals in Th-N multiple bonds, and further demonstrates the value of solid-state NMR spectroscopy for interrogating actinide-ligand bonding.

actinides, covalent bonding, Nuclear Magnetic Reso↗
DOE OSTI2023

Radiolysis of Thin Water Ice in Electron Microscopy

Little is known about the radiolysis of water ice, especially as compared to the radiolysis of liquid water. In this study, the radiolytic decomposition of thin water ice films is probed for an initial 80 keV electron beam using electron energy loss spectroscopy, EELS. Pre-peaks in the oxygen K-edge spectra give the relative intensities of most of the oxygen containing species produced by radiolytic water decomposition. Contrary to expectations from the extrapolation of liquid water radiolysis data to high dose rates where significant H 2 O 2 production is expected, the main molecular product observed in the oxygen K-edge EELS spectra of water ice is O 2 . Significant mass loss of water and decomposition of most of its radiolytic products are observed for higher exposures, and the O atom seems to have a major role in the subsequent chemistry. An inverse relationship between the formation of O 2 and of ·OH is observed. A new high-dose reaction scheme is proposed. Furthermore, the significance of our results with respect to the radiolysis of water ice and for electron microscopy studies is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

The PIX-2 experiment: An overview

The second Plasma Interactions Experiment (PIX-2) was launched in January 1983 as a piggyback on the second stage of the Delta launch vehicle that carried IRAS into orbit. Placed in a 870 km circular polar orbit, it returned 18 hrs of data on the plasma current collection and arcing behavior of solar arrays biased to +/-1000 V in steps. The four 500 sq cm solar array segments were biased singly and in combinations. In addition to the array segments PIX-2 carried a Sun sensor, a Langmuir probe to measure electron currents, and a hot-wire filament electron emitter to control vehicle potential during positive array bias sequences. The PIX-2 experiment is reviewed from program and operational perspectives.

Purvis, C. K.↗
NASA NTRS1988

Apollo 14 regolith breccias - Different glass populations and their potential for charting space time variations

Apollo 14 regolith breccias (14313, 14307, 14301, 14049, 14047) have been found to have different populations of nonagglutinitic, mare-derived glasses. These variations appear to not only reflect different source regoliths but also different closure ages for these breccias. Based upon these different glass populations, 14301 is inferred to have a closure age sometime during the epoch of mare volcanism. All of the other four breccias were formed after the termination of mare volcanism with a possible age sequence from old to young of the following: 14307, 14313, 14049, 14047. Due to the relative simplicity of acquiring high-quality chemical data on large numbers of glasses by electron microprobe, mare glass populations allow: (1) classification of regolith breccias with respect to provenance and (2) estimation of their relative and absolute closure ages. The determination of (Ar-40)-(Ar-39) ages on individual glass spherules within breccias using the laser probe should in the future prove to be a promising extension of the present study.

Delano, John W.↗
NASA NTRS2000

The Mars Microprobe Mission: Advanced Micro-Avionics for Exploration Surface

The Mars Microprobe Mission is the second spacecraft developed as part of the New Millennium Program deep space missions. The objective of the Microprobe Project is to demonstrate the applicability of key technologies for future planetary missions by developing two probes for deployment on Mars. The probes are designed with a single stage entry, descent, and landing system and impact the Martian surface at speeds of approximately 200 meters per second. The microprobes are composed of two main sections, a forebody section that penetrates to a depth below the Martian surface of 0.5 to 2 meters, and an aftbody section that remains on the surface. Each probe system consists of a number of advanced technology components developed specifically for this mission. These include a non-erosive aeroshell for entry into. the atmosphere, a set of low temperature batteries to supply probe power, an advanced microcontroller to execute the mission sequence, collect the science data, and react to possible system fault conditions, a telecommunications subsystem implemented on a set of custom integrated circuits, and instruments designed to provide science measurements from above and below the Martian surface. All of the electronic components have been designed and fabricated to withstand the severe impact shock environment and to operate correctly at predicted temperatures below -100 C.

Blue, Randel↗
DOE OSTI2025

Detecting thermodynamic phase transition via explainable machine learning of photoemission spectroscopy

Identifying thermodynamic signatures of electronic phases, such as superconductivity, is challenging in low-dimensional materials due to strong fluctuations and low probing volume. Spectroscopic methods are often used to identify new bulk phases, but their main measurable quantity—electronic energy gaps—is no longer an effective order parameter in low-dimensional and fluctuating systems. Combining angle-resolved photoemission with a domain-adversarial neural network, we report a data-driven method to identify thermodynamic phase transitions solely based on single-particle spectra. We demonstrate 97.6% accuracy in cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with strong superconducting fluctuations. This model notably compensates for the scarcity of experimental data by leveraging virtually inexhaustible simulated data. Further, its explainability reveals the crucial role of in-gap spectral weight in detecting phase fluctuations and thermodynamic transitions. Our work pinpoints the spectroscopic signatures of fluctuating orders and enables using spectroscopy for machine-learning-assisted material discovery for low-dimensional and strong coupling systems.

2D materials↗
DOE OSTI2019

Thermodynamics of the S 2 -to-S 3 state transition of the oxygen-evolving complex of photosystem II

The room temperature pump–probe X-ray free electron laser (XFEL) measurements used for serial femtosecond crystallography provide remarkable information about the structures of the catalytic (S-state) intermediates of the oxygen-evolution reaction of photosystem II. However, mixed populations of these intermediates and moderate resolution limit the interpretation of the data from current experiments. The S 3 XFEL structures show extra density near the OEC that may correspond to a water/hydroxide molecule. However, in the latest structure, this additional oxygen is 2.08 Å from the Oε2 of D1–E189, which is closer than the sum of the van der Waals radii of the two oxygens. In this work, we use Boltzmann statistics and Monte Carlo sampling to provide a model for the S 2 -to-S 3 state transition, allowing structural changes and the insertion of an additional water/hydroxide. Based on our model, water/hydroxide addition to the oxygen-evolving complex (OEC) is not thermodynamically favorable in the S 2 g = 2 state, but it is in the S 2 g = 4.1 redox isomer. Thus, formation of the S 3 state starts by a transition from the S 2 g = 2 to the S 2 g = 4.1 structure. Then, electrostatic interactions support protonation of D1–H190 and deprotonation of the Ca 2+ -ligated water (W3) with proton loss to the lumen. The W3 hydroxide moves toward Mn4, completing the coordination shell of Mn4 and favoring its oxidation to Mn( IV ) in the S 3 state. In addition, binding an additional hydroxide to Mn1 leads to a conformational change of D1–E189 in the S 2 g = 4.1 and S 3 structures. In the S 3 state a fraction of D1–E189 release from Mn1 and bind a proton.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗