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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Optical interference for the guidance of cryogenic focused ion beam milling beyond the axial diffraction limit

Cryogenic focused ion beam (Cryo-FIB) milling has become a standard step in the cryogenic electron tomography (Cryo-ET) workflow and is required to thin cells to electron-semitransparency. However, this destructive process removes the vast majority of the cellular material and raises a critical question: what thin section should be preserved for Cryo-ET analysis? Using a tri-coincident cryogenic FIB-SEM-LM system, we identify an interferometric optical response that can be used for targeting lamella production to fluorescently labeled structures with accuracy beyond the diffraction limit. Here we demonstrate this approach using synthetic samples of fluorescent beads embedded in micron-scale droplets of amorphous ice. We then apply the approach to capture virions inside host cells. Successful targeting is confirmed by Cryo-ET revealing clusters of virions in intracellular vesicles. The method does not require any fluorescent fiducials or axial registration and can be performed on any fluorescently labeled structure that is visible in widefield fluorescence microscopy.

Cryoelectron microscopy↗
NASA NTRS2013

In Situ Assessment of Lattice in an Al-Li Alloy

The lattice strains of individual grains are measured in an Al-Li alloy, AA 2195, using high-energy X-ray diffraction at a synchrotron source. The diffraction of individual grains in this highly textured production alloy was isolated through use of a depth-defining aperture. It is shown that hydrostatic stress, and in turn the stress triaxiality, can vary significantly from grain to grain.

Beaudoin, A. J.↗
NASA NTRSDate not supplied

Characterizing Martian X-ray Amorphous Materials through Terrestrial Analogs

X-ray amorphous materials (i.e., lacking long-range crystallographic order) have been identified on the martian surface from orbit and in-situ. Initial models of orbital IR spectral data identified volcanic glasses [e.g., 1], but subsequent interpretations suggested that amorphous silicates are dominantly secondary in nature and formed from water-rock interactions [e.g., 2-4]. ThermalIR spectra from the Mini-Thermal Emission Spectrometer on the Spirit rover show evidence for the amorphous secondary product opaline silica[e.g., 5].X-ray diffraction (XRD) measurements by the CheMin instrument on the Mars Science Laboratory rover have identified 20-70 wt.% amorphous materials in every sample analyzed in Gale crater to date [e.g., 6]. Mass balance calculations using CheMin results and bulk elemental measurements by the Alpha Particle X-ray Spectrometer suggest the amorphous component in Gale crater is variably enriched in Si, Fe, and S[e.g., 7,8].The compositions are not consistent with pure volcanic glass, indicating water must have been involved in the formation of amorphous materials in Gale crater. We seek to better constrain the conditions under which amorphous materials on Mars formed by studying the composition and short-range atomic order of amorphous materials in terrestrial analog environments via XRD and transmission electron microscopy (TEM).

E. B. Rampe↗
NASA NTRSDate not supplied

Characterizing Martian X-Ray Amorphous Materials Through Terrestrial Analogs

X-ray amorphous materials (i.e., lacking long-range crystallographic order) have been identified on the martian surface from orbit and in-situ. Initial models of orbital IR spectral data identified volcanic glasses [e.g., 1], but subsequent interpretations suggested that amorphous silicates are dominantly secondary in nature and formed from water-rock interactions [e.g., 2-4]. Thermal IR spectra from the Mini-Thermal Emission Spectrometer on the Spirit rover show evidence for the amorphous secondary product opaline silica [e.g., 5]. X-ray diffraction (XRD) measurements by the CheMin instrument on the Mars Science Laboratory rover have identified 20-70 wt.% amorphous materials in every sample analyzed in Gale crater to date [e.g., 6]. Mass balance calculations using CheMin results and bulk elemental measurements by the Alpha Particle X-ray Spectrometer suggest the amorphous component in Gale crater is variably enriched in Si, Fe, and S [e.g., 7,8]. The compositions are not consistent with pure volcanic glass, indicating water must have been involved in the formation of amorphous materials in Gale crater. We seek to better constrain the conditions under which amorphous materials on Mars formed by studying the composition and short-range atomic order of amorphous materials in terrestrial analog environments via XRD and transmission electron microscopy (TEM).

E B Rampe↗
NASA NTRS2007

Primary Objective Grating Astronomical Telescope

It has been 370 years since a seventeenth century French mathematician, Mersenne, presciently sketched out an astronomical telescope based on dual parabolic reflectors. Since that time the concept of the primary objective has been virtually unchanged. Now a new class of astronomical telescope with a primary objective grating (POG) has been studied as an alternative. The POG competes with mirrors, in part, because diffraction gratings provide the very chromatic dispersion that mirrors defeat. The resulting telescope deals effectively with long-standing restrictions on multiple object spectroscopy (MOS). Other potential benefits include unprecedented apertures and collection areas. The new design also favors space deployment as a gossamer membrane. The inventor, Tom Ditto, first discovered that higher-order diffraction images contain hidden depth cues, for which he was granted a seminal range finding patent in 1987. Subsequently, he invented and patented 3D localizers, profilometers and microscopes using POGs. The POG telescope was placed in the public domain to expedite research. The function of a telescopes primary objective is to collect flux and to deliver images. Both functions dictate that size matters, and bigger is better. For that reason, there has been a steady push over the past century to ramp up the size of the primary mirror. However, for every doubling of mirror diameter, the elapsed time between initial effort and first light has also doubled. Meanwhile, costs escalated beyond the mirror alone, because larger instruments required larger enclosures and better pointing mechanisms. One key catalog of observation, spectrographic data, is far more difficult to amass than two-dimensional imagery. While the number of observable objects has increased with mirror size, the capacity to take spectra has not increased proportionately. In the best of circumstances, spectrograms are available for one per cent of the all objects surveyed. Spectroscopy was a historical afterthought introduced in the nineteenth century shortly after the invention of the diffraction grating and over a century after Newtons 1670 telescope. Spectroscopy is generally accomplished using a diffraction grating as the disperser in the secondary. The light being delivered to the spectrograph is first captured by a primary mirror which provides no chromatic magnification by itself. Sizeable spectrographs could not be deployed while diffraction gratings were rare commodities scribed using mechanical ruling engines that produced one grating line at a time. Today diffraction gratings are commonplace. Their recent availability is a product of both the invention of holography and the mass replication of surface microstructures. Holography permits all lines in a grating to be made simultaneously in a single photographic exposure. Holograms can then be reproduced by embossing processes. The improvement in replication is analogous to how Gutenberg changed the availability of books. The masters may be expensive, but the copies are not. Computer science is another technology that emerged in the second half of the twentieth century without which our proposed spectrographic instrument could not function due to the complexity of image processing required in data reduction. The employment of very large diffraction gratings as primary objectives for astronomical telescopes requires a novel

spectroscopy↗
DOE OSTI2024

Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition

Human manganese superoxide dismutase (MnSOD) is a crucial oxidoreductase that maintains the vitality of mitochondria by converting superoxide (O 2 •– ) to molecular oxygen (O 2 ) and hydrogen peroxide (H 2 O 2 ) with proton-coupled electron transfers (PCETs). Human MnSOD has evolved to be highly product inhibited to limit the formation of H 2 O 2 , a freely diffusible oxidant and signaling molecule. The product-inhibited complex is thought to be composed of a peroxide (O 2 2– ) or hydroperoxide (HO 2 – ) species bound to Mn ion and formed from an unknown PCET mechanism. PCET mechanisms of proteins are typically not known due to difficulties in detecting the protonation states of specific residues that coincide with the electronic state of the redox center. To shed light on the mechanism, we combine neutron diffraction and X-ray absorption spectroscopy of the product-bound, trivalent, and divalent states of the enzyme to reveal the positions of all the atoms, including hydrogen, and the electronic configuration of the metal ion. The data identifies the product-inhibited complex, and a PCET mechanism of inhibition is constructed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Synergistic Integration of Multiple Wave Energy Converters with Adaptive Resonance and Offshore Floating Wind Turbines through Bayesian Optimization

We developed a synergistic ocean renewable system where an array of Wave Energy Converters (WEC) with adaptive resonance was collocated with a Floating Offshore Wind Turbine (FOWT) such that the WECs, capturing wave energy through the resonance adapting to varying irregular waves, consequently reduced FOWFT loads and turbine motions. Combining Surface-Riding WECs (SR-WEC) individually designed to feasibly relocate their natural frequency at the peak of the wave excitation spectrum for each sea state, and to obtain the highest capture width ratio at one of the frequent sea states for annual average power in a tens of kilowatts scale with a 15 MW FOWT based on a semi-submersible, Bayesian Optimization is implemented to determine the arrangement of WECs that minimize the annual representation of FOWT’s wave excitation spectra. The time-domain simulation of the system in the optimized arrangement is performed, including two sets of interactions: one set is the wind turbine dynamics, mooring lines, and floating body dynamics for FOWT, and the other set is the nonlinear power-take-off dynamics, linear mooring, and individual WECs’ floating body dynamics. Those two sets of interactions are further coupled through the hydrodynamics of diffraction and radiation. For sea states comprising Annual Energy Production, we investigate the capture width ratio of WECs, wave excitation on FOWT, and nacelle acceleration of the turbine compared to their single unit operations. We find that the optimally arranged SR-WECs reduce the wave excitation spectral area of FOWT by up to 60% and lower the turbine’s peak nacelle acceleration by nearly 44% in highly occurring sea states, while multiple WECs often produce more than the single operation, achieving adaptive resonance with a larger wave excitation spectra for those sea states. The synergistic system improves the total Annual Energy Production (AEP) by 1440 MWh, and we address which costs of Levelized Cost Of Energy (LCOE) can be reduced by the collocation.

Engineering↗
NASA NTRS1984

Impact cratering: The process and its effects on planetary evolution

The potential for silicate-carbon dioxide reactions as a geochemical weathering agent on Venus was studied. A tholetitic basalt close to the composition determined by the XRF experiment at the Venera 14 sites was subjected to high temperature and pressure (with pure CO2 as the pressure medium) for varying time durations. The starting basalt material and the run products were examined optically and by X-ray diffraction and electron microscopy. The kinetics of the silicate-carbonate reactions is discussed. A study to elucidate details of impact processes and to assess the effects of impact cratering on planetary evolution is mentioned.

Grieve, R. A. F.↗
NASA NTRSDate not supplied

Alignment and Verification Testing of the GPS LRA Test Bed

The LRCTF (Laser Ranging Characterization and Test Facility) is a unique facility built at NASA GSFC to provide thermal-optical testing of the next generation GPS LRA (Global Positioning Satellite’s Laser Retroreflector Array) laser ranging target. The 400mm diameter target is an array consisting of 48 total internal reflection retroreflectors and has an optical cross section requirement of 100 MSM (million square meters). To verify that the array meets this requirement during on-orbit conditions, the LRCTF is equipped with a 400mm test beam, a data product output consisting of full aperture FFDPs (Far Field Diffraction Patterns) and a thermal chamber. The FFDPs are used to calculate the OCS. This paper will describe the facility design, alignment approach, and verification process.

Patricia Lyons↗
NASA NTRS1984

Real-time X-ray Diffraction: Applications to Materials Characterization

With the high speed growth of materials it becomes necessary to develop measuring systems which also have the capabilities of characterizing these materials at high speeds. One of the conventional techniques of characterizing materials was X-ray diffraction. Film, which is the oldest method of recording the X-ray diffraction phenomenon, is not quite adequate in most circumstances to record fast changing events. Even though conventional proportional counters and scintillation counters can provide the speed necessary to record these changing events, they lack the ability to provide image information which may be important in some types of experiment or production arrangements. A selected number of novel applications of using X-ray diffraction to characterize materials in real-time are discussed. Also, device characteristics of some X-ray intensifiers useful in instantaneous X-ray diffraction applications briefly presented. Real-time X-ray diffraction experiments with the incorporation of image X-ray intensification add a new dimension in the characterization of materials. The uses of real-time image intensification in laboratory and production arrangements are quite unlimited and their application depends more upon the ingenuity of the scientist or engineer.

Rosemeier, R. G.↗
DOE OSTI2025

Influence of “Non-Interacting” Flux Concentration in Metallic Flux Growth Synthesis

In situ experiments probing the mechanisms of flux growth synthesis above 1100 °C, though challenging, enable direct observation of synthetic pathways, products, and metastable phases. In this study, in situ powder X-ray diffraction of flux growth synthesis up to 1200 °C was employed to investigate the role of Sn flux in the synthesis of praseodymium cobalt germanides. We demonstrate that metallic fluxes, with minimal incorporation into the target compounds, significantly influence the reaction products of flux growth synthesis of intermetallic compounds. Furthermore, the validation of in situ experiments with bulk synthesis is also presented.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Beta-FeOOH, akaganeite, in lunar rocks

Experiments were conducted to determine the nature of the alteration process in lunar rocks. Mixtures of 10 wt.% Fe + 10 wt.% FeCl2 + 80 wt.% basalt (terrestrial) were pelletized and allowed to set for 48 hrs at 25 C, at 40% and at 100% relative humidity. The end products were examined by reflected-light microscopy and by X-ray diffraction. The degree of reaction appears to depend upon the amount of FeCl2, the availability of water and the Ni content of the metallic Fe. The experiments showed the extremely rapid rate at which the oxyhydration can occur in air and that the product is beta-FeOOH. The data from the FeOOH mineral in rock 66095 were compared with those obtained from synthetic beta-FeOOH and found to be identical. The 'rust' in the Apollo 16 rocks could result from oxyhydration of the samples, caused by water vapor contamination, all or part of which occurred in the Apollo spacecraft and/or upon return to earth. The akageneite (beta-FeOOH) in lunar rocks could be entirely of terrestrial origin as originally suggested by Taylor et al. (1973).

Taylor, L. A.↗
DOE OSTI2026

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗
DOE OSTI2025

Exploring orbital angular momentum and spin-orbit correlations for gluons at the Electron-Ion Collider

In our previous work [S. Bhattacharya , ], we introduced a pioneering observable aimed at experimentally detecting the orbital angular momentum (OAM) of gluons. Our focus was on the longitudinal double spin asymmetry observed in exclusive dijet production during electron-proton scattering. We demonstrated the sensitivity of the cos ϕ angular correlation between the scattered electron and proton as a probe for gluon OAM at small x and its intricate interplay with gluon helicity. This current work provides a comprehensive exposition, diving further into the aforementioned calculation with added elaboration and in-depth analysis. We reveal that, in addition to the gluon OAM, one also gains access to the spin-orbit correlation of gluons. We supplement our work with a detailed numerical analysis of our observables for the kinematics of the Electron-Ion Collider. In addition to dijet production, we also consider the recently proposed semi-inclusive diffractive deep inelastic scattering process, which potentially offers experimental advantages over dijet measurements. Finally, we investigate quark-channel contributions to these processes and find an unexpected breakdown of collinear factorization. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Fabrication and characterization of a full-size ultra-precise lamellar grating for the Cosmic beamline at ALS-U

We have developed a new process for the production of ultra-precise variable line spacing (VLS) lamellar diffraction gratings through nanofabrication. The process enables the fabrication of full-size X-ray gratings with sub-nanometre accuracy in groove depth, an optimal land-to-groove ratio, and uniform groove depth across the entire grating area. We also established a method for evaluating VLS groove density variation using stitched Fizeau interferometry. The measurements confirmed the exceptionally high accuracy of the VLS groove density in the fabricated gratings, which is well within the specification tolerances while the residual groove density errors are vanishingly small. The gold-coated grating demonstrated near-theoretical diffraction efficiency across the energy range of 100–1200 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Oxygen Reduction on Platinum-Nickel and Platinum-Cobalt Alloy Based Catalysts for High Temperature Proton Exchange Membrane Fuel Cells

Catalyst layers, with commercial PtNi/TKK (TECNiE52; platinum 46.5 wt%), PtCo/TKK (TEC36E52; platinum 45.8 wt%) catalysts, and an in-house catalyst PtNi-NC (platinum 38.4 wt%), synthesised using acoustic mixer and a tube furnace, are prepared using three different ionomers: 20 wt% Nafion®, 60 wt% polytetrafluoroethylene (PTFE), and an in-house 5 wt% ionomer (‘Ionomer X’). These inks are bar-coated onto carbon paper gas diffusion layers (GDLs), which are cut into 3 cm × 5 cm pieces. The coated layers are tested for oxygen reduction in a commercial gas diffusion electrode (GDE) test cell, FlexCell® (Gaskatel GmbH, Germany), using 85 wt% phosphoric acid at both room temperature and at 155°C. This study evaluates the polynorbornene (PNB)-based in-house ionomer performance as binder and in-house catalyst oxygen reduction reaction (ORR) activity in comparison to commercial products. The catalyst layers are characterised using X-ray diffraction (XRD) analysis, X-ray photoelectron spectroscopy (XPS), and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Among the catalyst layers prepared with PTFE ionomer and tested at 155°C, the in-house catalyst demonstrates the highest ORR activity. Ionomer X proves to be a good candidate to be used as a per- and polyfluoroalkyl-free binder for high-temperature (HT) proton exchange membrane fuel cell (PEMFC) applications.

85 wt% phosphoric acid↗
NASA NTRS1981

Thermodynamics and kinetics of the sulfation of porous calcium silicate

The sulfation of plasma sprayed calcium silicate in flowing SO2/air mixtures at 900 and 1000 C was investigated thermogravimetrically. Reaction products were analyzed using electron microprobe and X-ray diffraction analysis techniques, and results were compared with thermodynamic predictions. The percentage, by volume, of SO2 in air was varied between 0.036 and 10 percent. At 10 percent SO2 the weight gain curve displays a concave downward shoulder early in the sulfation process. An analytical model was developed which treats the initial process as one which decays exponentially with increasing time and the subsequent process as one which decays exponentially with increasing weight gain. At lower SO2 levels the initial rate is controlled by the reactant flow rate. At 1100 C and 0.036 percent SO2 there is no reaction, in agreement with thermodynamic predictions.

Miller, R. A.↗
NASA NTRS1994

One-step synthesis of dithiocarbamates from metal powders

Neutral metal dithiocarbamate complexes (M(NR2CS2)X) are well-known precursors to metal sulfides, a class of materials with numerous technological applications. We are involved in a research effort to prepare new precursors to metal sulfides using simple, reproducible synthetic procedures. We describe the results of our synthetic and characterization studies for M = Fe, Co, Ni, Cu. and In. For example, treatment of metallic indium with tetramethylthiuram disulfide (tmtd) in 4-methylpyridine (4-Mepy) at 25 deg C produces a new homoleptic indium (III) dithiocarbamate, In(N(CH3)2CS2)3(I), in yields of over 60 percent. The indium (III) dithiocarbamate was characterized by X-ray crystallography; (I) exists in the solid state as discrete distorted-octahedral molecules. Compound (I) crystallizes in the P1bar (No. 2) space group with lattice parameters: a = 9.282(1) A, b = 10.081(1) A, c = 12.502 A, alpha = 73.91(1) deg, beta = 70.21(1) deg, gamma = 85.8(1)deg, and Z = 2. X-ray diffraction and mass spectral data were used to characterize the products of the analogous reactions with Fe, Co, Ni, and Cu. We discuss both use of dithiocarbamates as precursors and our approach to their preparation.

Hepp, Aloysius F.↗