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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

Isotopic Evidence of Long-Lived Volcanism on Io

Jupiter’s moon Io hosts extensive volcanism, driven by tidal heating. The isotopic composition of Io’s inventory of volatile chemical elements, including sulfur and chlorine, reflects its outgassing and mass-loss history and thus records information about its evolution. We used submillimeter observations of Io’s atmosphere to measure sulfur isotopes in gaseous sulfur dioxide and sulfur monoxide, and chlorine isotopes in gaseous sodium chloride and potassium chloride. We find 34S/32S = 0.0595 ± 0.0038 (equivalent to δ34S = +347 ± 86‰), which is highly enriched compared to average Solar System values and indicates that Io has lost 94 to 99% of its available sulfur. Our measurement of 37Cl/35Cl = 0.403 ± 0.028 (δ37Cl = +263 ± 88‰) shows that chlorine is similarly enriched. These results indicate that Io has been volcanically active for most (or all) of its history, with potentially higher outgassing and mass-loss rates at earlier times.

Katherine De Kleer↗
DOE OSTI2023

Cryogenics Python Coding Calculations for Nitrogen & Helium Loss

Helium and Nitrogen are two significant chemical elements that are used to advance cryogenic scientific breakthroughs. Helium is a colorless, odorless, and tasteless gas that becomes liquid at (−452 °F). Nitrogen is a gas at its standard conditions; It becomes solid once temperatures reach below (-346 °F), and it boils and becomes a gas once temperatures reach above (-320 °F). During this research project I used a web-based interactive computing platform called Jupyter Lab to modify various python programs that calculate, and display helium and nitrogen inventory lost from three cryo plants

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Material to separate and pump oxygen

A material for separating and pumping oxygen is disclosed. The material is a zeolite doped with a chemical element having an electron density of between 30 kJ/mol and 150 kJ/mol. The material is configured for controllable oxygen desorption between 150° C. and 300° C. and pumping the released oxygen into an area having an ambient pressure of less than 100 pascals.

Wilson, Steven↗
DOE OSTI2024

Learning the stable and metastable phase diagram to accelerate the discovery of metastable phases of boron

Boron, an element of captivating chemical intricacy, has been surrounded by controversies ever since its discovery in 1808. The complexities of boron stem from its unique position between metals and insulators in the Periodic Table. Recent computational studies have shed light on some of the stable boron allotropes. However, the demand for multifunctionality necessitates the need to go beyond the stable phases into the realm of metastability and explore the potentially vast but elusive metastable phases of boron. Traditional search for stable phases of materials has focused on identifying materials with the lowest enthalpy. Here, we introduce a workflow that uses reinforcement learning coupled with decision trees, such as Monte Carlo tree search, to search for stable and metastable boron phases, with enthalpy as the objective. We discover new boron metastable phases and construct a phase diagram that locates their phase space (T, P) at different levels of metastability (ΔG) from the ground state and provides useful information on the domains of relative stability of the various stable and metastable boron phases.

42 ENGINEERING↗
NASA NTRS1998

Isotopic, Chemical and Mineralogical Investigations of Extraterrestrial Materials

The principal aim of our work was to improve our understanding of the earliest evolutionary period of our solar system (i.e. the first tens of millions of years). We have studied its chronology by using short and long term chronometers (based on extinct and long lived radioactive nuclei), explored the bearing of short lived nuclei on planetary heating and differentiation, and the addition of 'exotic' nuclei to solar system matter to help constrain models of nucleosynthesis. Our basic tool is high precision Thermal Ionization Mass Spectrometry (TIMS). Over the years we have developed clean chemical separation procedures for many elements. The chemical elements most relevant to our investigations are Cr, Ni, Rb, Sr, Sm, Nd, Pb, and U, for which highly efficient measurement techniques by TIMS have been developed and have been in use in our laboratory for many years. We have explored the Mn-53 Cr-53 system (T (Mn-53) = 3.7 Ma) and have found it to be a powerful tool to obtain relative ages of meteorite formation and, more general, of early solar system processes with a time resolution of approx. 1 Ma. By measuring the Mn-Cr system in many meteorite types (chondrites, basaltic achondrites, angrites, pallasites, etc.) we have found that this condition is indeed met for most meteorite families.

Lugmair, Guenter W.↗
DOE OSTI2023

Impact of trivalent f-element complexation and chemical environment on the radiation-induced chemical reactivity of TODGA and HOPO ligands

Understanding the impact of ionizing radiation on ligands employed and proposed for the separation, recovery, and transport of actinide ions is of vital importance for the innovation of nuclear fuel cycle technologies. In the presence of ionizing radiation fields, complexing ligands are subject to radiolytic processes, that lead to their destruction and the formation of potentially detrimental degradation products. Consequently, mastery of the radiation-induced behavior of these ligands is essential for predicting and optimizing their effectiveness, longevity, and minimizing the negative impacts of radiolysis. Furthermore, this knowledge is critical for the design of more radiation resistant molecules to be incorporated into advanced separation technologies. That said, the radiation chemistry of most actinide complexants have only been studied in the absence of their targeted metal ion complexes, which can lead to inaccurate conclusions on their radiolytic robustness and impacts on performance. With this in mind, we present our findings on the impact of f-element complexation and chemical environment on the radiation-induced chemical reactivity of N,N,N',N'-tetraoctyl diglycolamide (TODGA) and the model octadentate hydroxypyridinone ligand 3,4,3-LI(1,2-HOPO) (abbreviated as HOPO), both promising candidates for actinide separations

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2001

Applications of the Method of Space-Time Conservation Element and the Solution Element to Unsteady Chemically Reactive Flows

This document reports the conclusion and findings of our research activities for this grant. The goal of the project is the development and application of the method of Space-Time Conservation Element and Solution Element, or the CE/SE method, to simulate chemically reacting flows. The product of this project will be a high-fidelity, time-accurate flow solver analyzing unsteady flow fields advanced propulsion concepts, including the low-emission turbojet engine combustion and flow fields of the Pulse Detonation Engines (PDE). Based on the documents and computer software of the CE/SE method that we have received from the CE/SE working group at NASA Lewis, we have focused our research effort on addressing outstanding technical issues related to the extension of the CE/SE method for unsteady, chemically reactive flows. In particular, we have made progresses in the following three aspects: (1) Derivation of the governing equations for reacting flows; (2) Numerical treatments of stiff source terms; and (3) Detailed simulations of ZND detonation waves.

Yu, Sheng-Tao↗
DOE OSTI2025

Could Microplasma Ionization and Ultrahigh Mass Resolution Alleviate Chemical Separations for Elemental and Isotopic Analysis?

At the extremes, all analytical spectrometric measurements are limited by the resolution of the spectrometer system. Spectral overlaps, isobars in the case of mass spectrometry, can lead to the implementation of complex and time-consuming chemical separations to alleviate those interferences. In the area of elemental/isotopic mass spectrometry, use of sector-field instruments can provide a mass resolution of ~10,000, but still necessitate chemical separations. Described here is the coupling of the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma to ultra-high resolution Orbitrap mass analyzer systems to yield mass resolution values ranging from 70k to 1M. Resolution of this order, with commensurate improvements in precision and accuracy, holds the promise to affect elemental/isotopic determinations without the need for chemical separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

2022 Results for Avian Monitoring of Inorganic Elements and Organic Chemical Concentrations in Passerine Eggs and Nestlings Collected from Technical Area 16 Burn Grounds, Technical Area 36 Minie, and Technical Area 39 Point 6 at Los Alamos National Laboratory

In 2022, nonviable avian eggs and one nestling were opportunistically collected at Los Alamos National Laboratory (LANL) near open detonation sites located at Technical Area (TA) 16 burn grounds, TA-36 Minie, and TA-39 Point 6. Samples were evaluated for inorganic elements (mostly metals) or per- and polyfluoroalkyl substances (PFAS). Three western bluebird (Sialia mexicana) egg samples were collected from TA-16 burn grounds. One deceased mountain bluebird (Sialia currucoides) nestling sample was collected from TA-36 Minie. One ash-throated flycatcher (Myiarchus cinerascens) egg sample was collected from TA-39 Point 6. Concentrations of inorganic elements (i.e., mostly metals) observed in this study were compared with the regional statistical reference level (RSRL), which is the upper-level bounds of background concentrations (mean + three standard deviations = 99% confidence interval). Several inorganic elements were not detected in avian eggs. All of the inorganic elements that were detected were below the RSRL and the lowest observable adverse effect level (LOAEL), when available. No PFAS compounds were detected in the mountain bluebird nestling sample collected from TA-36, and the majority of PFAS compounds were not detected in the western bluebird egg sample from TA-16. These data suggest that inorganic element and PFAS concentrations in eggs and nestlings are not of ecological concern. More data are needed to make a robust assessment and to evaluate trends over time.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Tailoring Local Chemical Ordering via Elemental Tuning in High-Entropy Alloys

Due to the large multi-elemental space desired for property screening and optimization, high-entropy alloys (HEAs) hold greater potential over conventional alloys for a range of applications, such as structural materials, energy conversion, and catalysis. However, the relationship between the HEA composition and its local structural/elemental configuration is not well understood, particularly in noble-metal-based HEA nanomaterials, hindering the design and development of nano-HEAs in energy conversion and catalysis applications. In this work, we determined precise atomic-level structural and elemental arrangements in model HEAs composed of RhPtPdFeCo and RuPtPdFeCo to unveil their local characteristics. Notably, by changing just one constituent element in the HEA (Rh to Ru), we found dramatic changes in the elemental arrangement from complete random mixing to a local single elemental ordering feature. Additionally, we demonstrate that the local ordering in RuPtPdFeCo can be further controlled by varying the Ru concentration, allowing us to toggle between local Ru clustering and distinct heterostructures in multicomponent systems. Overall, our study presents a practical approach for manipulating local atomic structures and elemental arrangements in noble-metal-based HEA systems, which could provide in-depth knowledge to mechanistically understand the functionality of noble-metal-based HEA nanomaterials in practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nanoscale fluctuation of stacking fault energy strengthens multi-principal element alloys

Chemical randomness and the associated energy fluctuation are essential features of multi-principal element alloys (MPEAs). Due to these features, nanoscale stacking fault energy (SFE) fluctuation is a natural and independent contribution to strengthening MPEAs. However, existing models for conventional alloys (i.e., alloys with one principal element) cannot be applied to MPEAs. The extreme values of SFEs required by such models are unknown for MPEAs, which need to calculate the nanoscale volume relevant to the SFE fluctuation. In the present work, we developed an analytic model to evaluate the strengthening effect through the SFE fluctuation, profuse in MPEAs. The model has no adjustable parameters, and all parameters can be determined from experiments and ab initio calculations. Further, this model explains available experimental observations and provides insightful guidance for designing new MPEAs based on the SFE fluctuation. It generally applies to MPEAs in random states and with chemical short-range order.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Standardized excitable elements for scalable engineering of far-from-equilibrium chemical networks

Engineered far-from-equilibrium synthetic chemical networks that pulse or switch states in response to environmental signals could precisely regulate the kinetics of chemical synthesis or self-assembly. Currently, such networks must be extensively tuned to compensate for the different activities of and unintended reactions between a network’s various chemical components. Modular elements with standardized performance could be used to rapidly construct networks with designed functions. Here we develop standardized excitable chemical regulatory elements, termed genelets, and use them to construct complex in vitro transcriptional networks. We develop a protocol for identifying >15 interchangeable genelet elements with uniform performance and minimal crosstalk. Furthermore, these elements can be combined to engineer feedforward and feedback modules whose dynamics match those predicted by a simple kinetic model. Modules can then be rationally integrated and organized into networks that produce tunable temporal pulses and act as multistate switchable memories. Standardized genelet elements, and the workflow to identify more, should make engineering complex far-from-equilibrium chemical dynamics routine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Are C1 chondrites chemically fractionated - A trace element study

Six C1 chondrite samples and a C2 xenolith from the Plainview H5 chondrite were analyzed by radiochemical neutron activation for a large variety of elements, including rare earths. The sample processing is described, including the irradiation, chemical procedure, rare earths separation, counting techniques, radiochemical purity check, and chemical yields. The results of consistency checks on a number of elements are discussed. Abundances for siderophiles, volatiles, and rare earths are presented and discussed. Tests are presented for fractionation of rare earths and other refractories, compositional uniformity of C1's, and interelement correlations. There is no conclusive evidence for nebular fractionation affecting C1's. Three fractionation-prone rare earths have essentially the same relative abundances in C1's and all other chondrite classes, and hence are apparently not fractionated in C1's.

Ebihara, M.↗
NASA NTRS1978

Genesis of Apollo 15 olivine normative mare basalts - Trace element correlations

Chemical and petrographic studies of 21 Apollo 15 rake basalts are reported; one pyroxene-phyric basalt, four olivine-phyric basalts, 15 olivine microgabbros, and one brecciated basalt are distinguished. The olivine-normative basalts (i.e., all samples but the pyroxene-phyric basalt) show correlation trends of La/Sm vs. La and Sm/Eu vs. La that are within the observed dispersion ranges of La/Sm and Sm/Eu ratios for a single lava flow. Trace element fractionation trends in the sample could be due to mobilization (perhaps by filter pressing) of fractionated residual liquid during the crystallization of a lava flow. However, it is also possible that the suite of olivine-normative basalts represents several basalt flows produced by partial melting of cumulate layers having interstitial liquids with variable trace-element compositions.

Ma, M.-S.↗
DOE OSTI2025

Abstract for CRADA between NETL and GlycoSurf, Inc.

The National Energy Technology Laboratory (NETL) and GlycoSurf, Inc. (Participant) will collaborate in the development of novel luminescent sensing materials for rare earth elements using chemically modified surfactants. Rare earth elements are economically critical metals that are used in many technologies relevant to both energy and national defense. Slow and expensive characterization methods for rare earth element analysis are a major pain point for domestic production of these metals; the development of low-cost optical sensing materials and platforms can significantly reduce the time and financial costs associated with rare earth element prospecting and process monitoring. NETL has extensive experience developing inexpensive and compact optical sensors for critical metals such as rare earths. GlycoSurf, Inc. has commercialized high performance surfactants for the selective extraction of rare earth elements in complex environments such as acid mine drainage. By modifying these surfactants with fluorescent functional groups, trace concentrations of rare earths may be detected through a process called “photosensitization,” where the sensing material induces element-specific emission bands that enable different rare earth elements to be detected and distinguished. This project will enable the development of sensing materials capable of selectively detecting trace quantities of valuable rare earths in challenging conditions, including high ionic strength, highly acidic matrices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Catalysis and biocatalysis program

The annual report presents the fiscal year (FY) 1990 research activities and accomplishments for the Catalysis and Biocatalysis Program of the Advanced Industrial Concepts Division (AICD), Office of Industrial Technologies of the Department of Energy (DOE). The mission of the AICD is to create a balanced program of high risk, long term, directed interdisciplinary research and development that will improve energy efficiency and enhance fuel flexibility in the industrial sector. The Catalysis and Biocatalysis Program's technical activities were organized into five work elements: the Molecular Modeling and Catalysis by Design element; the Applied Microbiology and Genetics element; the Bioprocess Engineering element; the Separations and Novel Chemical Processes element; and the Process Design and Analysis element.

Source record↗
NASA NTRS1990

Chemical compositions of siderophile element-rich opaque assemblages in an Allende inclusion

Chemical compositions of ten opaque assemblages, or Fremdlinge, from an Allende Type B Ca-,Al-rich coarse-grained inclusion were determined. Attempts to model the abundances of refractory siderophiles assuming condensation from the solar nebula into a single phase failed to match the observed combination of subchondritic Re/Os and Ir/Pt ratios. However, virtually all refractory siderophile fractionations in these Fremdlinge could be matched by a different model, in which all metals condensed into three separate alloys according to their crystal structures.

Sylvester, Paul J.↗