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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

NOx mediated formation of ε – UO 3 during thermal decomposition of uranyl nitrate hexahydrate under static air conditions

The thermal decomposition of uranyl nitrate hexahydrate in air at temperatures of 650 – 800 °C is expected to yield α – U 3 O 8 through intermediate UO 3 phases. Here, n this study, Raman spectroscopy complimented by powder X-ray diffraction revealed the unexpected formation of ε – UO 3 as an accompanying phase during thermal decomposition of UNH at 700 °C under static air conditions. Experiments demonstrated that ε – UO 3 does not form during the initial ramp up stage nor during the high temperature heating period; but instead forms during the cooling stage between 250 – 400 °C. Additional experiments revealed that UNH initially decomposes through an amorphous UO 3 intermediate prior to α – U 3 O 8 formation. Attempts to bypass the U 3 O 8 precursor in the formation of ε – UO 3 were unsuccessful, supporting the necessity of U 3 O 8 (α – U 3 O 8 in this study) in the formation of ε – UO 3 . The observed phase evolution is proposed to result from the NOx species generated during UNH thermal decomposition, which create localized oxidizing conditions within the furnace under static air conditions. Furthermore, a predominantly phase pure ε – UO 3 was synthesized under static air conditions through the addition of an extra plateau at 250 °C during the cooling step. These findings demonstrate the importance of gas-phase chemistry and cooling conditions in uranium oxide phase evolution and provide additional insight into ε – UO 3 formation pathways.

Epsilon uranium trioxide↗
DOE OSTI2022

Ammonia synthesis by photocatalytic hydrogenation of a N 2 -derived molybdenum nitride

Although metal complexes are known to split dinitrogen at ambient temperature and pressure, the synthesis of ammonia from these compounds and using H 2 as the terminal reductant has been rarely achieved. Here, we report photocatalytic ammonia synthesis from a N 2 -derived terminal molybdenum nitride and by using H 2 as the terminal reductant. An iridium hydride photocatalyst mediates the reaction upon irradiation with blue light. A molybdenum pentahydride was identified as the principal metal product arising following ammonia release. Conversion of the molybdenum pentahydride back to the terminal molybdenum nitride was accomplished in three-steps and completes a synthetic cycle for NH3 formation from N 2 and H 2 . Mechanistic investigations support a pathway involving photoexcitation of the iridium hydride and subsequent energy transfer rather than electron transfer. Deuterium labelling confirmed H 2 as the source of the N–H bonds. This photodriven, proton coupled electron transfer allows the use of H 2 as the terminal reductant for catalytic formation of NH 3 from N 2 using metal catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

State-resolved ultrafast charge and spin dynamics in [Co/Pd] multilayers

We use transient absorption spectroscopy with circularly polarized x rays to detect laser-excited hole states below the Fermi level and compare their dynamics with that of unoccupied states above the Fermi level in ferromagnetic [Co/Pd] multilayers. While below the Fermi level, an instantaneous and significantly stronger demagnetization is observed, above the Fermi level, the demagnetization is delayed by 35 ± 10 fs. This provides a direct visualization of how ultrafast demagnetization proceeds via initial spin-flip scattering of laser-excited holes to the subsequent formation of spin waves.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1997

Episodic Ocean-Induced CO2 Greenhouse on Mars: Implications for Fluvial Valley Formation

Pulses of CO2 injected into the martian atmosphere more recently than 4 Ga can place the atmosphere into a stable, higher pressure, warmer greenhouse state. One to two bar pulses of CO2 added to the atmosphere during the past several billion years are sufficient to raise global mean temperatures above 240 or 250 K for tens to hundreds of millions of years, even when accounting for CO2 condensation. Over time, the added CO2 is lost to carbonates, the atmosphere collapses and returns to its buffered state. A substantial amount of water could be transported during the greenhouse periods from the surface of a frozen body of water created by outflow channel discharges to higher elevations, despite global temperatures well below freezing. This water, precipitated as snow, could ultimately form fluvial valleys if deposition sites are associated with localized heat sources, such as magmatic intrusions or volcanoes. Thus, if outflow channel discharges were accompanied by the release of sufficient quantities of CO2, a limited hydrological cycle could have resulted that would have been capable of producing geomorphic change sufficient for fluvial erosion and valley formation. Glacial or periglacial landforms would also be a consequence of such a mechanism.

Gulick, V. C.↗
DOE OSTI2023

TRACER-Coastal Urban Boundary-Layer Interactions with Convection (TRACER-CUBIC) Field Campaign Report

To better understand the complicated web of processes governing convective cloud life cycle and aerosol-convection interactions, the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) user facility supported deployment of a variety of advanced atmospheric measurement systems to the greater Houston, Texas, area from 1 October 2021 to 30 September 2022 as part of the Tracking Aerosol Convection Interactions Experiment (TRACER). Houston was selected as a study area because isolated convection and a variety of aerosol conditions are common in this region. This one-year ARM Mobile Facility (AMF) deployment featured a four-month intensive operational period (IOP) during summer 2022 (1 June–30 September). The ARM instrumentation was deployed at three sites along an east-west transect from La Porte, Texas to an ancillary site in a less-polluted rural region southwest of downtown Houston (Figure 1). At the La Porte Site, which is located near the Houston ship channel in an area that experiences significant pollution, the first ARM Mobile Facility (AMF1) was deployed. During the IOP, the ARM tethered balloon system (TBS) operated at the ancillary site. The second-generation C-Band Scanning ARM Precipitation Radar (CSAPR) operated near Pearland, Texas, roughly halfway between the Laporte and ancillary sites. As part of the TRACER- Coastal Urban Boundary-Layer Interactions with Convection (CUBIC) project, three boundary-layer profiling systems) were deployed along a north-south transect spanning from the University of Houston Coastal Center to the Aldine site north of downtown Houston (also blue dot in Figure 1) during the TRACER IOP. These systems included the National Oceanic and Atmospheric Administration (NOAA) National Severe Storms Laboratory CLAMPS2 (C2), which was deployed at the UHCC, the University of Wisconsin SPARC, which was deployed at the ARM CSAPR site near Pearland (orange diamond in middle of map in Figure 1), and the University of Oklahoma CLAMPS1 (C1), which was deployed at Aldine. These three systems have been successfully operated in various field campaigns, providing data sets that collectively offer new insights into atmospheric-boundary-layer (ABL) processes, sea-breeze (SB) circulations, and convection initiation (CI). For the TRACER IOP window, these systems ran continuously between 1 June and 26 September, 2022. Due to commitments to NOAA projects, the Doppler lidar at the UHCC site was not available until 24 June 2022. The CLAMPS and SPARC profiling systems are self-contained platforms that have benefited from several years of development and deployment. Instruments and data processing were maintained remotely, which made the 4-month deployment for the TRACER-CUBIC IOP period possible. The same basic instrument configuration comprises each system: a scanning Doppler wind lidar for flow characterization and passive profiler(s) for characterizing planetary-boundary-layer (PBL) thermodynamic properties. Each platform includes a Halo Streamline Doppler wind lidar, an Atmospheric Emitted Radiance Interferometer (AERI), and a surface meteorology station. CLAMPS1 and CLAMPS2 each also include a microwave radiometer (MWR, Figure 1d). The TRACER-CUBIC hypotheses included (i) Interactions of SB and urban circulations and how they affect the PBL structure in the Houston environment, causing spatially (horizontally and vertically) and temporally highly variable flow patterns, (ii) heat, moisture, and aerosol transport and mixing depend on these flow dynamics, and (iii) an improved understanding of the flow patterns and PBL structure are critical for investigating the processes leading to CI. To test these hypotheses, the project aimed at (i) characterizing SB circulations and their impacts on the diurnal evolution of the structure of the ABL, (ii) studying the evolution of Houston’s complex urban boundary layer, and (iii) identifying effects of urban-induced circulations on pre-convective environments. TRACER-CUBIC observations generally provide good coverage during the summer IOP. Initial screening of the data indicates a good number of cases with bay-breeze (BB) and/or SB signatures, local CI, and interesting boundary-layer features such as strong nocturnal low-level jets (LLJs, Table 1). The numbers listed in rows 3-5 in this table will be further updated as part of ongoing in-depth analyses and systematic identification of local circulations and CI events. More detailed information about the data availability and quality for each instrument is provided in the “readme” files that were submitted to the ARM Data Center along with each archived data sets. These “readme” files also provide instrument descriptions, information about the data collection and processing procedures, data formats, and any additional information relevant for further data analysis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Boron and lithium aqueous thermochemistry to model crud deposition in pressurized water reactors

Here, a comprehensive database of boron and lithium aqueous thermochemistry has been developed for use at elevated temperatures. The Helgeson-Kirkham-Flowers (HKF) formalism provides a framework to describe thermodynamic properties over a broad range of temperatures and pressures. Accuracy at high temperatures is vital to modeling nickel oxide and ferrite fuel deposits that occur in pressurized water nuclear reactors (PWRs). CALPHAD (CALculation of PHAse Diagrams) calculations are performed at PWR crud conditions to predict the stability regions of the solid lithium metaborate (LiBO 2 ) and lithium tetraborate (Li 2 B 4 O 7 ) precipitates. In addition, similar calculations are performed using sodium and potassium instead of lithium in order to assess the thermodynamics associated with preventing the formation of such precipitates. This database contributes to understanding of crud formation and composition and will aid in the prediction of phenomena such as Crud-Induced Power Shifts (CIPS).

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

Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica

Here, we present a combined molecular dynamics (MD) simulation and X-ray absorption fine structure (XAFS) spectroscopic investigation of aqueous iron adsorption on nanoconfined amorphous silica surfaces. The simulation models examine the effects of pore size, pH (surface charge), iron valency, and counter-ion (chloride or hydroxide). The simulation methods were validated by comparing the coordination environment of adsorbed iron with coordination numbers and bond lengths derived from XAFS. In the MD models, nanoconfinement effects on local iron coordination were investigated by comparing results for unconfined silica surfaces and in confined domains within 2 nm, 4 nm, and 8 nm pores. Experimentally, coordination environments of iron adsorbed onto mesoporous silica with 4 nm and 8 nm pores at pH 7.5 were investigated. The effect of pH in the MD models was included by simulating Fe(II) adsorption onto negatively charged SiO 2 surfaces and Fe(III) adsorption on neutral surfaces. The simulation results show that iron adsorption depends significantly on silica surface charge, as expected based on electrostatic interactions. Adsorption on a negatively charged surface is an order of magnitude greater than on the neutral surface, and simulated surface coverages are consistent with experimental results. Pore size effects from the MD simulations were most notable in the adsorption of Fe(II) at deprotonated surface sites (SiO - ), but adsorption trends varied with concentration and aqueous Fe speciation. The coordination environment of adsorbed iron varied significantly with the type of anion. Considerable ion pairing with hydroxide anions led to the formation of oligomeric surface complexes and aqueous species, resulting in larger iron hydroxide clusters at higher surface loadings.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2016

The Ultraviolet and Infrared Star Formation Rates of Compact Group Galaxies: An Expanded Sample

Compact groups of galaxies provide insight into the role of low-mass, dense environments in galaxy evolution because the low velocity dispersions and close proximity of galaxy members result in frequent interactions that take place over extended time-scales. We expand the census of star formation in compact group galaxies by Tzanavaris et al. (2010) and collaborators with Swift UVOT, Spitzer IRAC and MIPS 24 m photometry of a sample of 183 galaxies in 46 compact groups. After correcting luminosities for the contribution from old stellar populations, we estimate the dust-unobscured star formation rate (SFRUV) using the UVOT uvw2 photometry. Similarly, we use the MIPS 24 m photometry to estimate the component of the SFR that is obscured by dust (SFRIR). We find that galaxies which are MIR-active (MIR-red), also have bluer UV colours, higher specific SFRs, and tend to lie in Hi-rich groups, while galaxies that are MIR-inactive (MIR-blue) have redder UV colours, lower specific SFRs, and tend to lie in Hi-poor groups. We find the SFRs to be continuously distributed with a peak at about 1 M yr1, indicating this might be the most common value in compact groups. In contrast, the specific SFR distribution is bimodal, and there is a clear distinction between star-forming and quiescent galaxies. Overall, our results suggest that the specific SFR is the best tracer of gas depletion and galaxy evolution in compact groups.

galaxies: star formation↗
DOE OSTI2023

Recyclability of additively manufactured bio-based composites

As the flexibility, efficiency, and application space of additive manufacturing continues to grow, many have begun to investigate more sustainable feedstocks as well as options for the end of life of additively manufactured parts. This study examines the effects of mechanical recycling on additively manufactured parts from bio-based feedstock. Here, articles were printed on the Big Area Additive Manufacturing (BAAM) system at the Oak Ridge National Laboratory using poly (lactic acid)/wood flour (PLA/WF) pellets. These parts were shredded and granulated, and the granulate was fed directly back into the BAAM system for re-printing, skipping the costly and energy-intensive steps of extrusion and pelletization. The chemical, mechanical, thermal, and rheological changes to PLA/WF before and after recycling were investigated. Additionally, the energy savings from directly printing granulate on the BAAM system without extrusion and pelletization is reported. It is shown that PLA/WF is an excellent candidate for recycling of large format additively manufactured parts, and value of these parts can be reclaimed while saving cost and energy through mechanical recycling.

42 ENGINEERING↗
NASA NTRS2016

Graphical Visualization of Human Exploration Capabilities

NASA's pioneering space strategy will require advanced capabilities to expand the boundaries of human exploration on the Journey to Mars (J2M). The Evolvable Mars Campaign (EMC) architecture serves as a framework to identify critical capabilities that need to be developed and tested in order to enable a range of human exploration destinations and missions. Agency-wide System Maturation Teams (SMT) are responsible for the maturation of these critical exploration capabilities and help formulate, guide and resolve performance gaps associated with the EMC-identified capabilities. Systems Capability Organization Reporting Engine boards (SCOREboards) were developed to integrate the SMT data sets into cohesive human exploration capability stories that can be used to promote dialog and communicate NASA's exploration investments. Each SCOREboard provides a graphical visualization of SMT capability development needs that enable exploration missions, and presents a comprehensive overview of data that outlines a roadmap of system maturation needs critical for the J2M. SCOREboards are generated by a computer program that extracts data from a main repository, sorts the data based on a tiered data reduction structure, and then plots the data according to specified user inputs. The ability to sort and plot varying data categories provides the flexibility to present specific SCOREboard capability roadmaps based on customer requests. This paper presents the development of the SCOREboard computer program and shows multiple complementary, yet different datasets through a unified format designed to facilitate comparison between datasets. Example SCOREboard capability roadmaps are presented followed by a discussion of how the roadmaps are used to: 1) communicate capability developments and readiness of systems for future missions, and 2) influence the definition of NASA's human exploration investment portfolio through capability-driven processes. The paper concludes with a description of planned future work to modify the computer program to include additional data and of alternate capability roadmap formats currently under consideration.

Rodgers, Erica M.↗
DOE OSTI2024

Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme

A major challenge to achieving industry-scale biomanufacturing of therapeutic alkaloids is the slow process of biocatalyst engineering. Amaryllidaceae alkaloids, such as the Alzheimer’s medication galantamine, are complex plant secondary metabolites with recognized therapeutic value. Due to their difficult synthesis they are regularly sourced by extraction and purification from the low-yielding daffodil Narcissus pseudonarcissus. Here, we propose an efficient biosensor-machine learning technology stack for biocatalyst development, which we apply to engineer an Amaryllidaceae enzyme in Escherichia coli. Directed evolution is used to develop a highly sensitive (EC 50 = 20 μM) and specific biosensor for the key Amaryllidaceae alkaloid branchpoint 4’-O-methylnorbelladine. A structure-based residual neural network (MutComputeX) is subsequently developed and used to generate activity-enriched variants of a plant methyltransferase, which are rapidly screened with the biosensor. Functional enzyme variants are identified that yield a 60% improvement in product titer, 2-fold higher catalytic activity, and 3-fold lower off-product regioisomer formation. A solved crystal structure elucidates the mechanism behind key beneficial mutations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

AquaPV: Foundational Analysis and Industry Guidance on Floating PV Results

This dataset contains results of the technical potential analysis of floating photovoltaics (FPV) on federally owned or permitted reservoirs in the United States. Estimates of the area of reservoirs that is technically feasible for FPV development are provided for reservoirs that are owned by the US Army Corps of Engineers or the US Bureau of Reclamation, or are associated with hydropower dams licensed by the Federal Energy Regulatory Commission. Other associated data are included, such as estimates of the potential evaporative losses of FPV development, and whether the waterbody is associated with an energy community or disadvantaged community that could qualify it for investment or production tax credits. Data is provided both as a spreadsheet and in a geospatial format including the waterbody geometries. Please read the included readme for more detailed field definitions.

area↗
NASA NTRS2018

SCExAO/CHARIS Near-Infrared Direct Imaging, Spectroscopy, and Forward-Modeling of κ and b: A Likely Young, Low-Gravity Superjovian Companion

We present SCExAO/CHARIS high-contrast imaging/JHK integral field spectroscopy of κ And b, a directly imaged low-mass companion orbiting a nearby B9V star. We detect κ And b at a high signal-to-noise ratio and extract high-precision spectrophotometry using a new forward-modeling algorithm for (A-)LOCI complementary to KLIP-FM developed by Pueyo et al. κ And b’s spectrum best resembles that of a low-gravity L0–L1 dwarf (L0–L1γ). Its spectrum and luminosity are very well matched by 2MASS J0141-4633 and several other 12.5–15 M(sub J) free-floating members of the 40 Myr old Tuc–Hor Association, consistent with a system age derived from recent interferometric results for the primary, a companion mass at/near the deuterium-burning limit (13(sup +12, sub -2) M(sub J)), and a companion-to-primary mass ratio characteristic of other directly imaged planets (q ∼ 0.005(sup +0.005, sub -0.001)). We did not unambiguously identify additional, more closely orbiting companions brighter and more massive than κ And b down to ρ ∼ 0".3 (15 au). SCExAO/CHARIS and complementary Keck/NIRC2 astrometric points reveal clockwise orbital motion. Modeling points toward a likely eccentric orbit: a subset of acceptable orbits include those that are aligned with the star’s rotation axis. However, κ And b’s semimajor axis is plausibly larger than 55 au and in a region where disk instability could form massive companions. Deeper high-contrast imaging of κ And and low-resolution spectroscopy from extreme adaptive optics systems such as SCExAO/CHARIS and higher-resolution spectroscopy from Keck/OSIRIS or, later, IRIS on the Thirty Meter Telescope could help to clarify κ And b’s chemistry and whether its spectrum provides an insight into its formation environment.

Currie, Thayne↗
DOE OSTI2020

Intrinsic Chemical Reactivity of Silicon Electrode Materials: Gas Evolution

In this work, we explore how the chemical reactivity toward an aprotic battery electrolyte changes as a function of lithium salt and silicon surface termination chemistry. The reactions are highly correlated, where one decomposition reaction leads to a subsequent decomposition reaction. We report the data show that the presence of silicon hydrides (SiH$_x$) promotes the formation of CO gas, while surface oxides SiO$_x$ drive the formation of CO 2 . The extent and rate of oxidation depend on the surface basicity of the SiO 2 surface species. The most acidic surfaces seem to hinder CO 2 generation but not the decomposition of the salt. Indeed, the presence of F-containing salts (LiPF 6 and LiTFSI) promotes the reactions between carbonate electrolyte and silicon surfaces. Surfaces with high Li content seem to be the most passivating to gassing reactions, pointing to a pathway to stabilize the interfaces during cell formation and assembly.

25 ENERGY STORAGE↗
DOE OSTI2020

Phase evolution during lithium–indium halide superionic conductor dehydration

Select rare-earth alkali halides have demonstrated high lithium ion conductivity. The conductivity appears to be related to the stability of the crystal phase, ordering of the lithium sublattice and the amount of residual H 2 O. Li 3 InCl 6 can be synthesized from concentrated aqueous solution through controlled dehydration. In this work, we track Li 3 InCl 6 dehydration using a multimodal approach that combines thermogravimetric, spectroscopic, X-ray diffraction, and neutron scattering techniques. In situ X-ray diffraction suggests a single phase transition caused by dehydration, in disagreement with spectroscopic and thermodynamic measurements. Neutron scattering, being sensitive toward the H 2 O and Li sublattices, reveals multiple phase transitions. We show that the loss of the final trace H 2 O leads to strain and grain boundary formation. Thus, controlled dehydration may be a viable strategy for high-throughput processing for roll-to-roll manufacturing of REAH solid electrolytes.

36 MATERIALS SCIENCE↗