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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Simultaneous Separation of Protactinium-230 and Uranium-230 Isotopes from a Proton-Irradiated Thorium Matrix

The use of radioisotopes in cancer therapy is becoming increasingly important. As a potential candidate for targeted alpha therapy, 230 U (t 1/2 = 20.8 d), the decay daughter of 230 Pa (t 1/2 = 17.4 d) is currently being investigated for cancer treatment. For radioisotopes to be used in biomedicine, they must be radiochemically pure and free from carrier interference. This can be challenging given their short half-life. Thus, in this study, radiological separation methods for harvesting isotopes for use in biomedicine must be simple, fast, and capable of obtaining the required purity levels. Herein, we demonstrate a new rapid method for the separation of 230 U and 230 Pa from a proton-irradiated 232 Th metal target and from coproduced fission products with high recovery and purity. A dual-column approach was used, in which the first column was an anion exchange (AX) column and the second column was a DGA column. The MP-1 AX resin was used for the primary separation of the three major components (U, Pa, and Th, as well as fission products), and the DGA column was used for further purification of the separated 230 U. The method is simple and allows for straightforward separation of U, Pa, Th, and fission products; also, the entire process from target dissolution to shipment of 230 U could be completed in 3 days with an overall 230 U recovery yield of 96 ± 3%. Additionally, separated 230 Pa fractions can be used to harvest ingrown 230 U after initial separation.

DGA resin↗
DOE OSTI2022

Cation-Dependent Multielectron Kinetics of Metal Oxide Splitting

We report direct electrolytic extraction of metals from metal oxides is a promising process for the sustainable production of metals. In this work, we elucidate the inherent thermodynamic driving forces behind the reduction of metal oxides to metals (M-OER). It is shown that the thermodynamics of M-OER can be systematically tuned via the interactions of oxygen with the participating metal cations as a function of metal–oxygen covalency, oxygen–oxygen covalency, and metal–oxygen ionicity. We screen both group 1 elements and metals that are able to exist in the +2 oxidation state for M-OER thermodynamics. Li, Fe, and Co are identified as having low thermodynamic overpotentials for electrolytic extraction from their metal oxides due to interactions between oxygen and these metals being neither too strong (covalent) nor too weak (ionic). We further show that the bulk formation energies are predictive of M-OER reaction energetics on surfaces by developing unified design principles for tuning the thermodynamics of these reduction reactions both in bulk oxides and on surfaces.

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

Comparative Technoeconomic Analysis and Life Cycle Assessment of Emerging Reactive Carbon Capture-to-Methanol Pathways

Our group recently developed dual-function materials (DFMs) and reactive carbon capture (RCC) processes for the selective production of methanol (MeOH) or CO, offering two novel and unique pathways for MeOH production. This study conducted a comparative techno-economic analysis (TEA) of the two RCC pathways from exhaust CO 2 : 1) a “Direct RCC-to-MeOH” pathway and 2) an “Indirect RCC-to-CO” pathway followed by MeOH synthesis. The “Direct RCC-to-MeOH” pathway produced a lower levelized cost of MeOH (LCOM) at $\$$0.78/kg, compared to $\$$0.84/kg for the “Indirect RCC-to-CO” pathway. The key difference is the need to recompress the syngas from RCC before MeOH synthesis in “Indirect RCC-to-CO.” Nonetheless, with reduced catalyst costs and hydrogen requirements for “RCC-to-CO,” this pathway merits further study to produce syngas rather than MeOH. Both pathways are comparable in LCOM to baseline e-MeOH production from CO 2 hydrogenation ($\$$0.72/kg) while having lower carbon intensities (0.45 and 0.51 kg-CO 2 e/kg vs 0.54 kg-CO 2 e/kg).

08 HYDROGEN↗
DOE OSTI2023

Re-Examination of the N 2 O + O Reaction

The reaction of N 2 O with O is a key step in consumption of nitrous oxide in thermal processes. It has two product channels, NO + NO (R2) and N 2 + O 2 (R3). The rate constant for R2 has been measured both in the forward and the reverse direction at elevated temperature and is well established. However, the rate constant for the N 2 + O 2 channel (R3) has been difficult to quantify and has significant error limits. Here, the direct reaction on the triplet surface has a barrier of around 40 kcal mol –1 , and it is too slow for the N 2 + O 2 channel to have any practical significance. Recently, Pham and Lin (2022) suggested an alternative low activation energy reaction path that involves intersystem crossing and reaction on the singlet surface. In the present work, we re-examined a wide range of experiments relevant for the N 2 O + O reaction through kinetic modeling, paying attention to the impact of artifacts such as impurities and surface reactions. Experimental results from shock tubes and batch reactors on the final NO yield in N 2 O decomposition, covering temperatures of 973–2200 K and pressures of 0.013–11.5 atm, support k 3 ~ 0, consistent with the high activation energy for reaction on the triplet surface and a low probability of ISC.

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

An Integrative Model for Soil Biogeochemistry and Methane Processes: I. Model Structure and Sensitivity Analysis

Abstract Environmental changes are anticipated to generate substantial impacts on carbon cycling in peatlands, affecting terrestrial‐climate feedbacks. Understanding how peatland methane (CH 4 ) fluxes respond to these changing environments is critical for predicting the magnitude of feedbacks from peatlands to global climate change. To improve predictions of CH 4 fluxes in response to changes such as elevated atmospheric CO 2 concentrations and warming, it is essential for Earth system models to include increased realism to simulate CH 4 processes in a more mechanistic way. To address this need, we incorporated a new microbial‐functional group‐based CH 4 module into the Energy Exascale Earth System land model (ELM) and tested it with multiple observational data sets at an ombrotrophic peatland bog in northern Minnesota. The model is able to simulate observed land surface CH 4 fluxes and fundamental mechanisms contributing to these throughout the soil profile. The model reproduced the observed vertical distributions of dissolved organic carbon and acetate concentrations. The seasonality of acetoclastic and hydrogenotrophic methanogenesis—two key processes for CH 4 production—and CH 4 concentration along the soil profile were accurately simulated. Meanwhile, the model estimated that plant‐mediated transport, diffusion, and ebullition contributed to ∼23.5%, 15.0%, and 61.5% of CH 4 transport, respectively. A parameter sensitivity analysis showed that CH 4 substrate and CH 4 production were the most critical mechanisms regulating temporal patterns of surface CH 4 fluxes both under ambient conditions and warming treatments. This knowledge will be used to improve Earth system model predictions of these high‐carbon ecosystems from plot to regional scales.

58 GEOSCIENCES↗
DOE OSTI2021

Enhance Low Level Temperature and Moisture Profiles Through Combining NUCAPS, ABI Observations, and RTMA Analysis

Thermodynamic information from low levels in the atmosphere is crucial for operational weather forecasts and meteorological researchers. The NOAA Unique Combined Atmospheric Processing System (NUCAPS) sounding products have been proven beneficial to fill the data gap between synoptic radiosonde observations (RAOBs). However, compared with the upper troposphere, the accuracy of NUCAPS soundings in the low levels still needs improvement. In this study, a deep neural network (DNN) is applied to fuse multiple data sources to enhance the NUCAPS temperature and moisture profiles in the lower atmosphere. The network is developed by combining satellite observations, including NUCAPS sounding retrievals and high resolution geostationary satellite observations from the Advanced Baseline Imager, and surface analysis from the Real-Time Mesoscale Analysis (RTMA) as inputs, while collocated soundings from ECMWF re-analysis version 5 are used as the benchmark for the training. The performance of the model is evaluated by using the independent testing data set, data from a different year, as well as collocated RAOBs, showing improvement to the temperature and moisture profiles by reducing the root-mean-squared-error (RMSE) by more than 30% in the lower atmosphere (from 700 hPa to surface) in both clear sky and partially cloudy conditions. A convective event from June 18, 2017 is presented to illustrate the application of the enhanced low level soundings on high impact weather events. The enhanced soundings from fused data capture the large surface-based convective available potential energy structures in the preconvection environment, which is very useful for severe storm nowcasting and forecasting applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Knowledge-guided machine learning can improve carbon cycle quantification in agroecosystems

Abstract Accurate and cost-effective quantification of the carbon cycle for agroecosystems at decision-relevant scales is critical to mitigating climate change and ensuring sustainable food production. However, conventional process-based or data-driven modeling approaches alone have large prediction uncertainties due to the complex biogeochemical processes to model and the lack of observations to constrain many key state and flux variables. Here we propose a Knowledge-Guided Machine Learning (KGML) framework that addresses the above challenges by integrating knowledge embedded in a process-based model, high-resolution remote sensing observations, and machine learning (ML) techniques. Using the U.S. Corn Belt as a testbed, we demonstrate that KGML can outperform conventional process-based and black-box ML models in quantifying carbon cycle dynamics. Our high-resolution approach quantitatively reveals 86% more spatial detail of soil organic carbon changes than conventional coarse-resolution approaches. Moreover, we outline a protocol for improving KGML via various paths, which can be generalized to develop hybrid models to better predict complex earth system dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Structure and growth of plant cell walls

Plant cells build nanofibrillar walls that are central to plant growth, morphogenesis and mechanics. Starting from simple sugars, three groups of polysaccharides, namely, cellulose, hemicelluloses and pectins, with very different physical properties are assembled by the cell to make a strong yet extensible wall. Here, this Review describes the physics of wall growth and its regulation by cellular processes such as cellulose production by cellulose synthase, modulation of wall pH by plasma membrane H + -ATPase, wall loosening by expansin and signalling by plant hormones such as auxin and brassinosteroid. In addition, this Review discusses the nuanced roles, properties and interactions of cellulose, matrix polysaccharides and cell wall proteins and describes how wall stress and wall loosening cooperatively result in cell wall growth.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Imaging and speciation of intracellular metallic implant debris using synchrotron-based X-ray fluorescence micro-spectroscopy: a study of two cases

Debris generated from total hip arthroplasty (THA) components made from metal alloys can cause, in some cases, inflammatory cell (e.g., macrophages) responses that lead to adverse local tissue reactions (ALTR) and implant failure. The lack of information on intracellular chemical alterations of metal debris has hindered the understanding of the pathogenesis of ALTR. The goal of this study was to characterize intracellular debris within macrophages using Synchrotron imaging and spectroscopy. We studied periprosthetic tissues of two retrieved THAs with (1) a metal-on-metal (MoM) articulation and (2) a metal-on-polyethylene (MoP) articulation exhibiting corrosion of the metal femoral head. The MoM-THA exhibited different valence states of chromium- and cobalt-containing debris, suggesting three different moieties: Cr 2 O 3 , CrPO 4 , and an alloy-oxide mixture. The findings further suggest that Cr 2 O 3 formed in the tribological interfaces of the implant, while CrPO 4 is a by-product of the phagocytosis process of cobalt alloy-containing debris. Titanium debris appeared to occur in a mixed crystalline/amorphous oxide state. It remains unclear if this chemical state results from the tribochemical processes at the implant surface or intracellular alterations. The MoP-THA specimen exhibited no intracellular particulate debris associated with macrohpages, indicating that the ALTR may be entirely triggered by metal ionic species in this case. A better understanding of in vivo chemical alteration of implant debris will aid in assessing the risk for ALTR during implant design and material choice. However, various techniques are needed to accurately determine the interaction between metal particles and the inta- and extra-cellular environment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

The high-yield direct synthesis of dimethyl ether from CO 2 and H 2 in a dry reaction environment

Direct dimethyl ether (DME) synthesis from CO 2 and H 2 is considered a promising production route. However, this process is thermodynamically and kinetically restricted by the presence of water as a byproduct. In this study, a water-conduction membrane was incorporated into the direct DME synthesis reactor to generate a dry reaction environment. In the absence of water, the activities of the CO 2 hydrogenation catalyst (CZA) and methanol dehydration catalyst (HZSM-5) were boosted 4- and 10-fold, respectively, and single-pass CO 2 conversion of up to 73.4%, far beyond equilibrium, and DME yields of up to 54.5% were obtained. Moreover, the good protection of the catalysts against fast deactivation was demonstrated.

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

Renewable linear alpha-olefins by base-catalyzed dehydration of biologically-derived fatty alcohols

In this work, base catalysts were studied for the dehydration of fatty alcohols to linear alpha olefins (LAOs). For the dehydration of 1-octanol to 1-octene, 15%Cs/SiO 2 catalyst was 56% selective at 10% conversion. Diluting a feed of C 8 , C 10 , and C 14 fatty alcohols to 50% in undecane increased the selectivity to alpha olefins to 77-99%. 15%Cs/SiO 2 was further investigated for the dehydration of a 4.2 g/L mixed C 8 -C 14 fatty alcohol in tridecane feed and showed linear alpha olefin selectivities of 78-100% at initial conversions of 51-91% with the conversion lowering to 32-77% over 30 h. Catalytic activity was totally regenerated through calcination. A feed of biologically derived alcohols was produced with E. coli strain CM24 transformed with three plasmids (pBTRCk – pVHb – maACR, pACYC – pVHb – seFadBA, pTRC99A – pVHb – tdTER – fdh) which yielded a 5.5 g/L of C 8 -C 14 fatty alcohol in tridecane. This biologically-derived feed was successfully dehydrated to linear alpha olefins over 15%Cs/SiO 2 at selectivities of 60-100% with initial conversions of 35-75% which decreased to 22-55% over 30 h. Techno-economic analysis (TEA) of the integrated process for fatty alcohol production and subsequent dehydration to alpha olefins was conducted across the potential fermentation TRY (titer, rate, yield) landscape. Baseline fermentation performance resulted in a minimum product selling price (MPSP) double the market price for LAOs due to low titers and high costs associated with managing water and tridecane solvent flows through the system. However, targeted improvements in fermentation performance (e.g., achieving 40 g/L titer, 0.5 g/L/h productivity, 80% theoretical yield) can enable financially viable production of biologically derived LAOs.

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

Euclid I. Overview of the Euclid mission

The current standard model of cosmology successfully describes a variety of measurements, but the nature of its main ingredients, dark matter and dark energy, remains unknown. Euclid is a medium-class mission in the Cosmic Vision 2015–2025 programme of the European Space Agency (ESA) that will provide high-resolution optical imaging, as well as near-infrared imaging and spectroscopy, over about 14 000 deg 2 of extragalactic sky. In addition to accurate weak lensing and clustering measurements that probe structure formation over half of the age of the Universe, its primary probes for cosmology, these exquisite data will enable a wide range of science. This paper provides a high-level overview of the mission, summarising the survey characteristics, the various data-processing steps, and data products. We also highlight the main science objectives and expected performance.

cosmology↗
DOE OSTI2020

Photonic Doppler velocimetry of ohmically exploded aluminum surfaces

Photonic Doppler Velocimetry (PDV) was used to measure the exploding surface of coated metal driven by lineal current density increasing at 3 × 10 15 A/m/s. Here, aluminum-6061 rods were coated with three thicknesses (5, 17, and 41 μm) of Parylene-N and driven to 850 kA in approximately 100 ns, with the metal thicker than the skin depth. According to PDV, the metal surface melts at 85 ± 13 T and expands with a constant acceleration. Then, at surface magnetic field 140-180 T, the metal acceleration begins to increase in time. Later, plasma forms on, and is correlated with PDV signal loss from, uncoated aluminum rods, 5-μm-coated rods, and 17-μm-coated rods, while no evidence suggests plasma forms on 41-μm-coated metal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Nonlinear light-output calibration of the oxygenated xylene scintillators used in OMEGA neutron time-of-flight spectrometers

Neutron time-of-flight (nTOF) spectrometers are essential instruments for measuring and evaluating the performance of inertial confinement fusion implosions. The neutron spectrometers utilized for the OMEGA laser include two liquid-based scintillators, each consisting of a large volume filled with xylene that is coupled to four photomultiplier tubes. Analysis of the signal from these detectors requires detailed knowledge of the scintillator’s light output, which is needed to fit the nTOF spectrum, from which the neutron energy spectrum is informed. The light output is nonlinearly proportional to the neutron energy, which, in turn, affects the interpretation of the neutron energy spectrum from a TOF signal. A recent campaign on OMEGA was performed to calibrate the xylene detectors and infer the shape of the light-output curve. The campaign utilized materials with increasing Z placed in the OMEGA target chamber to initiate scattering events with the 14 MeV fusion neutrons. This process leads to the production of backscatter neutrons of varying energies that appear as peaks in the nTOF data. Simulations using a neutron transport code were combined with the measured deuterium–tritium neutron yields to calculate the expected backscattered neutron yields from the well-known scattering cross sections of each material. Furthermore, the neutron-energy dependent light output of the scintillator inferred from the experiment is compared to the light-output curve simulated with a neutron transport code for the following neutron energies: 1.5, 2.5, 6, and 14 MeV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Plasma sources for advanced semiconductor applications

Semiconductors are the foundation of modern technology, used in our personal, industrial, and military-grade devices. Further, every aspect of U.S. society is closely tied to semiconductors, and our economy cannot progress at the current pace with existing chip manufacturing methods as chip features approach an atomistic scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A tutorial on high-order harmonic generation in atoms, molecules, and condensed matter

This tutorial introduces strong-field-driven high-order harmonics, their experimental generation and characterization techniques, and their main applications including attosecond pulse generation and ultrafast spectroscopy of the target material. We begin from the use of atomic targets, where the first high-order harmonic generation (HHG) experiments were realized in the late 1980s. Then, we briefly discuss the basics of the microscopic generation mechanism and how various steps of the mechanism were exploited in applications such as generating isolated attosecond pulses and probing molecular orbitals. We introduce and describe the standard experimental approaches for condensed phase HHG, where we discuss unique technical challenges of the use of solid-state materials, such as the mitigation of plasma formation and laser damage. We cover the fundamentals of high-harmonic spectroscopy in condensed matter systems, such as wide bandgap dielectrics, semiconductors, liquid media, and 2D-crystals. We provide some examples of rapidly emerging spectroscopic capabilities, such as for probing crystal symmetries, Berry phases, and associated non-trivial topological properties of the source material. Finally, we provide an overview of the research field, including some of the challenges, opportunities, and open questions.

Attosecond pulses↗
DOE OSTI2025

GIScience in the era of Artificial Intelligence: a research agenda towards Autonomous GIS

The advent of generative AI exemplified by large language models (LLMs) opens new ways to represent and compute geographic information and transcends the process of geographic knowledge production, driving geographic information systems (GIS) towards autonomous GIS. Leveraging LLMs as the decision core, autonomous GIS can independently generate and execute geoprocessing workflows to perform spatial analysis. In this vision paper, we further elaborate on the concept of autonomous GIS and present a conceptual framework that defines its five autonomous goals, five levels of autonomy, five core functions, and three operational scales. We demonstrate how autonomous GIS could perform geospatial data retrieval, spatial analysis, and map making with four proof-of-concept GIS agents. We conclude by identifying critical challenges and future research directions, including fine-tuning and self-growing decision-cores, autonomous modelling, and examining the societal and practical implications of autonomous GIS. By establishing the groundwork for a paradigm shift in GIScience, this paper envisions a future where GIS moves beyond traditional workflows to autonomously reason, derive, innovate, and advance geospatial solutions to pressing global challenges. Meanwhile, we emphasize that as we design and deploy increasingly intelligent geospatial systems, we carry a responsibility to ensure they are developed in socially responsible ways, serve the public good, and support the continued value of human geographic insight in an AI-augmented future.

Autonomous GI↗
DOE OSTI2023

Updated constraints on primordial black hole evaporation

The Hawking evaporation process, leading to the production of detectable particle species, constrains the abundance of light black holes, presumably of primordial origin. Here, we reconsider and correct constraints from soft gamma-ray observations, including of the gamma-ray line, at 511 keV, produced by electron-positron pair-annihilation, where positrons originate from black hole evaporation. First, we point out that the INTEGRAL detection of the Large Magellanic Cloud provides one of the strongest bounds attainable with present observations; and that future MeV gamma-ray telescopes, such as GECCO, will greatly enhance such constraints. Second, we discuss issues with previous limits from the isotropic flux at 511 keV and we provide updated, robust constraints from recent measurements of the diffuse Galactic soft gamma-ray emission and from the isotropic soft gamma-ray background.

79 ASTRONOMY AND ASTROPHYSICS↗