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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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NASA NTRSDate not supplied

RF Metrology of Lunar Highlands Regolith Simulant NU-LHT-2M

*Presentation for the publication* Understanding the electrical properties of lunar regolith is vital to modeling radiofrequency (RF) propagation on the lunar surface, a fundamental step in planning lunar surface missions. Near the lunar south pole, the regolith has yet to be directly sampled and thus there remains uncertainty in the electrical properties of the regolith. The regolith simulant NU-LHT-2M is a highlands simulant that is representative of the expected chemical composition of the regolith near the lunar south pole. Previous studies have investigated properties of NU-LHT at UHF and S-band[1]. Future missions to the lunar south pole are expected to utilize X and Ka-band for direct-to-Earth links and UHF, S-band, C-band, and Ka-band for lunar surface communication [2]. As a result, it is necessary to electrically characterize the lunar regolith at these frequencies. In this paper, coaxial impedance dielectric reflectometry is performed on the NU-LHT-2M simulant using a commercially available soil permittivity measurement device. This study serves as a preliminary measurement of the simulant and may lead to enhanced efficacy of the measurement hardware for future applications.

simulant↗
DOE OSTI2021

Ettringite hysteresis under sorption from molecular simulations

Highlights: • Hybrid Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations are performed. • Anisotropic large strain coefficient of crystal shrinkage of ettringite is provided. • Entropy increases when ettringite converts into metaettringite. • Sorption-induced stress may lead to columns collapse upon drying. • H-bonds involving OH groups in columns play a role in hysteresis. The response of ettringite under sorption is critical for the utilization of this mineral as an energy storage material and to understand the concrete durability problems associated with ettringite formation. We report molecular simulations directly sampling the osmotic ensemble to understand the sorption processes and structural changes in ettringite-metaettringite transition. Desorption branch and sorption-induced volume changes from simulations agree with the experiments. The structural changes at low relative humidity are analyzed, revealing for the first time details of metaettringite structure. The reversibility under sorption observed experimentally is captured by simulation in the ettringite domain. The reversibility in the conversion of metaettringite into ettringite is not captured by the direct simulations in the osmotic ensemble due to the large volume changes associated with ettringite desorption. Finally, we discuss the role of hydrogen bonds on the hysteresis in ettringite.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Evaluating Primary Dendrite Trunk Diameters in Directionally Solidified Al-Si Alloys

The primary dendrite trunk diameters of Al-Si alloys that were directionally solidified over a range of processing conditions have been measured. These data are analyzed with a model based primarily on an assessment of secondary dendrite arm dissolution in the mushy zone. Good fit with the experimental data is seen and it is suggested that the primary dendrite trunk diameter is a useful metric that correlates well with the actual solidification processing parameters. These results are placed in context with the limited results from the aluminium - 7 wt. % silicon samples directionally solidified aboard the International Space Station as part of the MICAST project.

Grugel, R. N.↗
NASA NTRS1977

Analysis of volatile organic compounds

An apparatus and method are described for reproducibly analyzing trace amounts of a large number of organic volatiles existing in a gas sample. Direct injection of the trapped volatiles into a cryogenic percolum provides a sharply defined plug. Applications of the method include: (1) analyzing the headspace gas of body fluids and comparing a profile of the organic volatiles with standard profiles for the detection and monitoring of disease; (2) analyzing the headspace gas of foods and beverages and comparing the profile with standard profiles to monitor and control flavor and aroma; and (3) analyses for determining the organic pollutants in air or water samples.

Zlatkis, A.↗
DOE OSTI2025

Zinc isotope constraints on the cycling of carbon in the Bermuda mantle source

Volatile recycling and storage in the mantle transition zone (MTZ) is important for the refertilization of the upper mantle and is associated with the generation of high-µ (HIMU, where µ is 238 U/ 204 Pb) mantle. One way to probe the MTZ and the processes associated with mantle convection is to sample lavas that originate from the shallow mantle and were contaminated by upwelling from the MTZ, such as at the previously proposed shallow plume of Bermuda. Here we present the first δ 66 Zn isotopic compositions of Bermuda silica-undersaturated and silica-saturated lavas to explore the origin of the carbon-rich lithologies and the genesis of the large seamount found in the western North Atlantic Ocean. Contrasting with global δ 66 Zn data sets, our results (δ 66 Zn between 0.24 ± 0.04 and 0.41 ± 0.04) do not support direct sampling of recycled marine carbonates in the Bermuda HIMU mantle. Instead, we show that δ 66 Zn fractionation toward higher values is associated with magmatic processes and incorporation of carbon sourced from deep fluids associated with the formation of carbonatites. These carbon-rich fluids are likely sourced from the metasomatic reactions between the subducted cold slab of the Iapetus oceanic lithosphere ca. 500 Ma and the thickened continental lithospheric mantle of Pangea. Melting of this metasomatized mantle was triggered by the arrival of the Farallon slab to the eastern North American margin in the late Cenozoic via shallow convection.

Mazza, Sarah E. [Smith College, Northampton, MA (U↗
NASA NTRS1973

Lunar rock types - The role of plagioclase in non-mare and highland rock types

Some nonmare and highland rock types (14310 type KREEP and very high Al2O3 basalts) have the internal chemical variations expected for a plagioclase-liquid system. The observed Eu variations in these rock types suggest a D(Eu) 1/p of 0.6 to 0.7. The Sr variations suggest a D(Sr) 1/p of about 0.6, with values as low as 0.35 suggested for some materials from sample 14063. Common Apollo 14 KREEP and Apollo 15 KREEP do not show internal Sr, Eu, Al2O3 variations consistent with the D(Eu, Sr) 1/p values derived for 14310 type KREEP. Major element and experimental data indicate that olivine or pyroxene is a large, perhaps dominant, controller of chemical variations within common Apollo 14 KREEP. The application of these distribution coefficients to pure anorthosites like 15415 yields the model dependent conclusion that the silicate liquids with which such anorthosites may have been chemically equilibrated have not yet been analyzed and perhaps not directly sampled.

Hubbard, N. J.↗
NASA NTRS1992

Helium mining on the Moon: Site selection and evaluation

The feasibility of recovering helium (He) from the Moon as a source of fusion energy on Earth is currently being studied at the University of Wisconsin. Part of this study is selection and evaluation of potential sites for lunar He mining. Selection and evaluation of potential mining sites are based on four salient findings by various investigators of lunar samples: (1) Regoliths from areas underlain by highland materials contain less than 20 wppm He; (2) Certain maria regoliths contain less than 20 wppm He, but other contain 25 to 49 wppm; (3) The He content of a mare regolith is a function of its composition; regoliths rich in Ti are relatively rich in He; and (4) He is concentrated in the less than 100-micron size fractions of regoliths. The first three findings suggest that maria are the most promising mining sites, specifically, those that have high-Ti regoliths. Information on the regional distribution and extent of high-Ti regoliths comes mainly from two sources: direct sampling by various Apollo and Luna missions, and remote sensing by gamma-ray spectroscopy and Earth-based measurements of lunar spectral reflectance. Sampling provides essential control on calibration and interpretation of data from remote sensing. These data indicate that Mare Tranquillitatis is the principal area of high-Ti regolith of the eastern nearside, but large areas of high-Ti regolith are indicated in the Imbrium and Procellarum regions. Recovery of significant amounts of He-3 will require mining billions of tonnes of regolith. Large individual areas suitable for mining must therefore be delineated. The concentration of He in the finer size fractions and considerations of ease of mining mean that mining areas must be as free as possible of sizable craters and blocks of rock. Pending additional lunar missions, information regarding these features must be obtained from lunar photographs, photogeologic maps, and radar surveys. The present study is decidedly preliminary; available information is much to limited to permit even a close approach to final evaluations. As a prelude to recovery of He from the Moon, systematic exploration and sampling of high-Ti regoliths should therefore have a high priority in future lunar missions.

Cameron, Eugene N.↗
NASA NTRS2012

Pneumatic System for Concentration of Micrometer-Size Lunar Soil

A report describes a size-sorting method to separate and concentrate micrometer- size dust from a broad size range of particles without using sieves, fluids, or other processes that may modify the composition or the surface properties of the dust. The system consists of four processing units connected in series by tubing. Samples of dry particulates such as lunar soil are introduced into the first unit, a fluidized bed. The flow of introduced nitrogen fluidizes the particulates and preferentially moves the finer grain sizes on to the next unit, a flat plate impactor, followed by a cyclone separator, followed by a Nuclepore polycarbonate filter to collect the dust. By varying the gas flow rate and the sizes of various orifices in the system, the size of the final and intermediate particles can be varied to provide the desired products. The dust can be collected from the filter. In addition, electron microscope grids can be placed on the Nuclepore filter for direct sampling followed by electron microscope characterization of the dust without further handling.

McKay, David↗
DOE OSTI2023

An attribution of the low single-scattering albedo of biomass burning aerosol over the southeastern Atlantic

Abstract. Aerosol over the remote southeastern Atlantic is some of the most sunlight-absorbing aerosol on the planet: the in situ free-tropospheric single-scattering albedo at the 530 nm wavelength (SSA530 nm) ranges from 0.83 to 0.89 within ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) aircraft flights from late August–September. Here we seek to explain the low SSA. The SSA depends strongly on the black carbon (BC) number fraction, which ranges from 0.15 to 0.4. Low organic aerosol (OA)-to-BC mass ratios of 8–14 and modified combustion efficiency values >0.975 point indirectly to the dry, flame-efficient combustion of primarily grass fuels, with back trajectories ending in the miombo woodlands of Angola. The youngest aerosol, aged 4–5 d since emission, occupied the top half of a 5 km thick plume sampled directly west of Angola with a vertically consistent BC:ΔCO (carbon monoxide) ratio, indicating a homogenization of the source emissions. The younger aerosol, transported more quickly off of the continent by stronger winds, overlaid older, slower-moving aerosol with a larger mean particle size and fraction of BC-containing particles. This is consistent with ongoing gas condensation and the coagulation of smaller non-BC particles upon the BC-containing particles. The particle volumes and OA:BC mass ratios of the older aerosol were smaller, attributed primarily to evaporation following fragmentation, instead of dilution or thermodynamics. The CLARIFY (CLoud–Aerosol–Radiation Interaction and Forcing: Year 2017) aircraft campaign sampled aerosols that had traveled further to reach the more remote Ascension Island. CLARIFY reported higher BC number fractions, lower OA:BC mass ratios, and lower SSA yet larger mass absorption coefficients compared to this study's. Values from one ORACLES 2017 flight, held midway to Ascension Island, are intermediate, confirming the long-range changes. Overall the data are most consistent with continuing oxidation through fragmentation releasing aerosols that subsequently enter the gas phase, reducing the OA mass, rather than evaporation through dilution or thermodynamics. The data support the following best fit: SSA530nm=0.801+0055⋅(OA:BC) (r=0.84). The fires of southern Africa emit approximately one-third of the world's carbon; the emitted aerosols are distinct from other regional smoke emissions, and their composition needs to be represented appropriately to realistically depict regional aerosol radiative effects.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Trace gas exchanges and convective transports over the Amazonian rain forest

The NASA Amazon Boundary Layer Experiment (ABLE 2A) based in Manaus, Brazil, in July and August 1985, is used to examine meteorological processes responsible for the vertical and horizontal transport of biogenic and anthropogenic trace gases generated over the Amazon basin. Direct sampling of the surrounding environment of deep convective clouds shows marked changes in the vertical distribution of the lower and midtroposphere concentration of O3 and such surface-derived species as CO, CO2, and NO. Thermodynamic observations, together with two-dimensional cloud model simulations, confirm vertical transports within the convection and provide a basis for an estimation of the magnitude and efficiency of cloud upward and downward exchanges. A distinction is drawn between local changes due to convective updrafts and downdrafts and convective overturning as a net result of the storm processes. Marked variability is seen in trace gas concentrations along horizontal flight paths in the vicinity of the convection. Interpretation of simultaneously measured thermodynamic quantities and trace gas concentrations provide the information to infer the presence and direction of atmospheric transports and/or the presence of anthropogenic influences.

Garstang, Michael↗
NASA NTRS2007

Submicrometer Organic Grains: Widespread Constituents of the Early Solar System

Primitive meteorites and interplanetary dust particles (IDPs) contain remants of interstellar organic matter, marked by anomalous H and N isotopic ratios. These isotopic anomalies are attributed to mass fractionation during chemical reactions at cryogenic temperatures (10-100K) in a cold molecular cloud. Significant variations in the chemistry and isotopic compositions of organic compounds within and between these samples suggest varying histories of alteration and dilution of the presolar components. Recent studies have reported large H and N isotopic anomalies preserved in sub-m organic inclusions in both meteorites and IDPs. In the Tagish Lake meteorite, the largest H and N isotopic anomalies are associated with sub-m, hollow organic globules. The common physical, chemical, and isotopic characteristics of these globules suggest that they formed before being incorporated into their parent meteorite. These organic globules probably originated as organic ice coatings that formed on preexisting ice or mineral grains in a cold molecular cloud. Radiation driven photochemistry may have processed them into refractory organic grains. This model implies that submicrometer organic grains were widely distributed throughout the solar nebula during the epoch of planet formation. Submicrometer organic particles were detected by the Giotto and Vega encounters with comet Halley, termed CHON particles based on their major element chemistry. The first direct samples of cometary dust (comet Wild-2) were returned by the Stardust spacecraft in January 2006. These samples exhibit widely varying, fine grained mineralogy similar to anhydrous IDPs, including submicrometer carbonaceous grains. The submicrometer organic grains from comet Wild-2 exhibit H and N isotopic anomalies of similar magnitude to those commonly observed in primitive meteorites and IDPs. Isotopically anomalous, submicrometer organic grains have now been observed in meteorites, IDPs, the Oort-cloud comet Halley, and the Kuiper-belt comet Wild-2, suggesting that such grains were prevalent throughout the protoplanetary disk.

Messenger, Scott↗
NASA NTRS2003

Analysis of Moessbauer Data from Mars: A Database and Artificial Neural Network for Identification of Iron-bearing Phases

The exploration of the planet Mars is one of the major goals within the Solar system exploration programs of the US-American space agency NASA and the European Space Agency ESA. In particular the search for water and life and understanding of the history of the surface and atmosphere will be the major tasks of the upcoming space missions to Mars. The miniaturized Moessbauer spectrometer MIMOS II has been selected for the NASA Mars-Exploration-Rover twin-mission to Mars in 2003 and the ESA 2003 Mars-Express Beagle 2 mission. Reduced in size and weight, in comparison to ordinary laboratory setup, the sensor head just weights approximately 400 g, with a volume of (50x50x90) cu mm, and holds two gamma-ray sources: the stronger for experiments and the weaker for calibrations. The collimator (in sample direction) also shields the primary radiation off the detectors. Around the drive four detectors are mounted. The detectors are made of Si-PIN-photodiodes in chip form (100 sq mm, thickness of 0.5 mm). The control unit is located in a separate electronics board. This board is responsible for the power supply, generation of the drive's velocity reference signal, read of the detector pulses to record the spectrum, data storage and communication with the host computer. After more than four decades from the discovery of the Moessbauer effect, more than 400 minerals were studied at different temperatures. Their Moessbauer parameters were reported in the literature, and have been recently collected in a data bank. Previous Mars-missions, namely Viking and Mars Pathfinder, revealed Si, Al, Fe, Mg, Ca, K, Ti, S and Cl to be the major constituents in soil and rock elemental composition of the red planet. More than 200 minerals already studied by Moessbauer spectroscopy contain significant amounts of these elements. A considerable number of Moessbauer studies were also carried out on meteorites and on Moon samples. Looking backward in the studies of the whole Moessbauer community, we have built a specific library containing Moessbauer parameters of those possible Mars minerals. The selected minerals, their Moessbauer parameter values (min. max. s.d and number of available data), main site substitution, behavior as a function of temperature and a ranking as expected to be found on Mars were organized. Mars-analogue Fe-bearing minerals not studied by Moessbauer spectroscopy are being collected and investigated. In addition, it an identification system based on Artificial Neural Networks (ANN) was implemented which enables fast and precise mineral identification from the experimental Moessbauer parameters at a given temperature.

P A de Souza Jr.↗
NASA NTRS2022

Isotropization and Evolution of Energy-Containing Eddies in Solar Wind Turbulence: Parker Solar Probe, Helios 1, ACE, WIND, and Voyager 1

We examine the radial evolution of correlation lengths perpendicular (l^ C) and parallel (  lC) to the magnetic-field direction, computed from solar wind magnetic-field data measured by Parker Solar Probe (PSP) during its first eight orbits, Helios 1, Advanced Composition Explorer (ACE), WIND, and Voyager 1 spacecraft. Correlation lengths are grouped by an interval’s alignment angle; the angle between the magnetic-field and solar wind velocity vectors (ΘBV). Parallel and perpendicular angular channels correspond to angles 0° < ΘBV < 40° and 50° < ΘBV < 90°, respectively. We observe an anisotropy in the inner heliosphere within 0.40 au, with  l l »^ 0.75 C C at 0.10 au. This anisotropy reduces with increasing heliocentric distance and the correlation lengths roughly isotropize within 1 au. Results from ACE and WIND support a reversal of the anisotropy, such that  l l »^ 1.29 C C at 1 au. The ratio does not appear to change significantly beyond 1 au, although the small number of parallel intervals in the Voyager data set precludes unambiguous conclusions from being drawn. This study provides insights regarding the radial evolution of the large, most energetic interacting turbulent fluctuations in the heliosphere. We also emphasize the importance of tracking the changes in sampling direction in PSP measurements as the spacecraft approaches the Sun, when using these data to study the radial evolution of turbulence. This can prove to be vital in understanding the more complex dynamics of the solar wind in the inner heliosphere and can assist in improving related simulations.

Manuel Enrique Cuesta↗
DOE OSTI2024

Angle-Resolved Polarized Raman Study of Layered Cr 2 Se 3

The polarization-resolved Raman spectra of two-dimensional Cr 2 Se 3 synthesized via chemical vapor deposition (CVD) and chemical vapor transport (CVT) techniques were investigated in detail. The samples were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), and energy-dispersive X-ray spectroscopy (EDS). A distinct polarization dependence was observed in the Raman intensity of all the Cr-Cr, Cr-Se, and Se-Se modes in both samples. The observed angle-dependent Raman intensities of each peak could be related to the crystal structure-specific Raman tensor. XRD results of the bulk Cr 2 Se 3 sample synthesized via CVT confirm its trigonal crystal structure, and the Raman peaks can be fitted using the Raman tensors for the A g and E g modes for both the parallel and crossed polarizations. However, for the Cr 2 Se 3 samples directly grown on Si/SiO 2 substrates by CVD, it was necessary to assume the triclinic crystal structure in order to explain the polarized Raman dependence of all the peaks in both parallel and crossed polarization directions. Furthermore, this is the first experimental result suggesting the existence of triclinic Cr 2 Se 3 crystal structure, which has been theoretically predicted in the Materials Project database.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Formation of PAHs, phenol, benzofuran, and dibenzofuran in a flow reactor from the oxidation of ethylene, toluene, and n-decane

The necessity to reveal the formation mechanism of not only polycyclic aromatic hydrocarbons (PAHs) but also oxygenated PAHs (OPAHs) during combustion is increasing. Although many studies on PAHs have been conducted, fundamental studies investigating OPAH formation are still limited. Phenol, benzofuran, and dibenzofuran were selected as OPAHs in this study. We experimentally investigated fuel-rich oxidation in a flow reactor at atmospheric pressure, mean gas temperatures from 1050 to 1350 K, residence times from 0.2 to 1.5 s, and equivalence ratios from 3.0 to 12.0. Ethylene, toluene, and n-decane were used as fuels. Three kinds of OPAHs as well as 23 kinds of PAHs including monocyclic structures were quantitatively measured through a direct sampling using gas chromatography mass spectrometry. The results showed that concentrations of PAHs and OPAHs were strongly affected by the fuel type, with increasing concentrations in the following order: ethylene < n-decane < toluene. A chemical kinetic model for OPAH formation was developed based on a recent PAH growth model. The model showed that the predicted concentrations of OPAHs and PAHs were in reasonable agreement with the measured data in this study. Some modifications were made to the previous model based on recent literature studies and on the comparison of the simulated and measured results. The effect of the fuel type on the formation of PAHs and OPAHs was investigated through kinetic analysis using the model to discuss their reaction pathways.

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

A theoretical kinetic study of ĊH 3 + ṄH 2 : From electronic structure to NH 3 /CH 4 combustion modelling implications

Carbon–nitrogen interaction reactions play an important role in governing the reactivity of ammonia blended fuels. However, there remains uncertainties regarding their detailed reaction pathways and rate constants, hampering the development of high-fidelity chemical kinetic models. In this study, the kinetics of ĊH 3 + ṄH 2 , a key C–N interaction reaction in ammonia/methane blend combustion have been investigated. The potential energy surface has been explored using the high-level ANL0F method, yielding highly accurate stationary point energies that agree with ATcT values within 0.1 kcal mol –1 . Variable reaction coordinate transition state theory is used to treat the barrierless association and decomposition reaction channels, based on directly sampled radical-radical interaction energies at the CASPT2-F12(2e,2o)/cc-pVTZ-F12 level of theory. The minimum transitional mode numbers of states obtained are then coupled with the RRKM/master equation to calculate temperature- and pressure-dependent rate constants. Our a priori calculations capture available experimental measurements from the literature very well. The calculated rate constants have been incorporated into an NH 3 /CH 4 chemical kinetic model currently under development at the University of Galway. The effect of the updated kinetic data for ĊH 3 + ṄH 2 on model predicted NH 3 /CH 4 fuel reactivity is elucidated.

ab initio↗
DOE OSTI2025

Enhancing approximate modular Bayesian inference by emulating the conditional posterior

In modular Bayesian analyses, complex models are composed of distinct modules, each representing different aspects of the data or prior information. In this context, fully Bayesian approaches can sometimes lead to undesirable feedback between modules, compromising the integrity of the inference. The “cut-distribution” prevents unwanted influence between modules by “cutting” feedback. The direct sampling (DS) algorithm is standard practice for approximating the cut-distribution, but it can be computationally intensive, especially when the number of imputations required is large. An enhanced method is proposed, the Emulating the Conditional Posterior (ECP) algorithm, which leverages emulation to increase the number of imputations. Through numerical experiment it is demonstrated that the ECP algorithm outperforms the traditional DS approach in terms of accuracy and computational efficiency, particularly when resources are constrained. Here, it is also shown how the DS algorithm can be improved using ideas from design of experiments. Some practical recommendations are given for algorithm choice in modular Bayesian analyses.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Stratigraphic Identification with Airborne Electromagnetic Methods at the Hanford Site, Washington

Stratigraphic units can influence the fate and transport of subsurface contaminants within groundwater. Units having coarse-grained sediments act as preferential flow pathways, and therefore can accelerate the transport of contaminants to reach human and ecological receptors. At legacy waste sites, detailed knowledge of subsurface stratigraphy can be used for effective monitoring and remediation planning to help minimize risk to human health and the environment. Airborne electromagnetic (AEM) methods can non-invasively provide information on kilometer-scale or larger subsurface stratigraphic features and fill informational gaps in directly sampled data from sparsely located boreholes. In this paper, we present inversion results of a 412 line-km frequency-domain AEM survey to delineate subsurface stratigraphic features at the Hanford Site, located in southeastern Washington State. The inversion was performed using a massively parallel 3D electromagnetic modeling and inversion code, where the modeling is based on solving frequency-domain Maxwell’s equations using an unstructured-mesh finite-element method and the inversion employs a Gauss-Newton optimization scheme. The results are compared to an underlying geologic framework model (GFM), built by interpolating contact depths of stratigraphic units interpreted from site borehole datasets. In areas with good borehole coverage, the inversion results show a good match with the GFM to a depth of about 60 m. Outside of these areas, the inversion results exhibit inconsistencies from the assumptions made to create the GFM, demonstrating that the AEM survey results can be used to improve the understanding of the geological conceptual model.

47 OTHER INSTRUMENTATION↗