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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Results and Implications of Mineralogical Models for Chemical Sediments at Meridiani Planum

The Mars Exploration Rover (MER) "Opportunity" has explored chemically-enriched sedimentary outcrops at Meridiani Planum, Mars. In its first year, three different crater sites - Eagle, Fram and Endurance - have been explored. Nineteen high-interest outcrop rocks were investigated by first grinding a hole to reach the interior (using the Rock Abrasion Tool, RAT), and then conducting APXS (alpha particle x-ray spectrometry) analysis, MB (M ssbauer) analysis, and close up imaging (MI, microscopic imager). Sixteen elements and four Fe-bearing minerals were assayed to good accuracy in each sample, producing 380 compositional data points. The Miniature Thermal Emission Spectrometer (Mini- TES) obtained spectra on outcrop materials which provide direct indication of several mineral classes. Preliminary reports on Eagle crater and three RAT samples have been published. Chemical trends and a derived mineralogical model for all RAT d outcrop samples to date has been developed.

Clark, B. C.↗
NASA NTRS2007

Compositions of Spherules and Rock Surfaces at Meridiani

The Alpha Particle X-ray Spectrometers (APXS) on the Mars Exploration Rovers (MER) have proven extremely valuable for analyzing rocks and soils on the surface of Mars. The precision of their compositional measurements has been shown to be phenomenal through analyses of the compositionally very uniform Meridiani soils. Through combined use of the rock abrasion tool (RAT) and the analytical instruments on the in-situ deployment device (IDD), analyses of the interiors of fine-grained and texturally uniform rocks with surfaces ground flat have been made under conditions that are nearly ideal for this mode of analysis. The APXS has also been used frequently to analyze materials whose characteristics, surface morphologies, and sample-detector geometries are less than ideal, but the analyses of which are nonetheless very useful for understanding the makeup of the target materials. Such targets include undisturbed rocks with irregular and sometimes coated surfaces and mixed targets such as soils that include fine-grained components as well as coarse grains and pieces of rocks. Such target materials include the well known hematite-rich concretions, referred to as blueberries because of their multispectral color, size, and mode of occurrence. In addition to non-ideal target geometry, such mixed materials also present a heterogeneous target in terms of density. These irregularities violate the assumptions commonly associated with analyses done in the laboratory to achieve the highest possible accuracy. Here we acknowledge the irregularities and we examine the inferences drawn from specific chemical trends obtained on imperfect targets in light of one of the potential pitfalls of natural materials on the surface of Mars, namely thin dust coatings.

Mittlefehldt, David W.↗
DOE OSTI2025

Hyperplane decision trees as piecewise linear surrogate models for chemical process design

Recent trends in chemical engineering research point towards an increasing reliance on data-driven modeling approaches. Neural networks, for instance, have proven to be accurate when data is plentiful and high-dimensional, but in many cases, they require computationally-intensive training procedures. Here, in this work, we describe hyperplane decision trees (HT) as a highly expressive and low-compute machine learning model architecture. These models are locally linear and have linear decision boundaries, resulting in a piecewise linear model of the data. This property allows them to be converted into mixed-integer linear constraints which can be globally optimized. Our open-source PyTorch implementation of this method is a fast, flexible, and accessible way to build accurate piecewise linear models of data.

Decision trees↗
NASA NTRS2004

Version 8 SBUV Ozone Profile Trends Compared with Trends from a Zonally Averaged Chemical Model

Linear regression trends for the years 1979-2003 were computed using the new Version 8 merged Solar Backscatter Ultraviolet (SBUV) data set of ozone profiles. These trends were compared to trends computed using ozone profiles from the Goddard Space Flight Center (GSFC) zonally averaged coupled model. Observed and modeled annual trends between 50 N and 50 S were a maximum in the higher latitudes of the upper stratosphere, with southern hemisphere (SH) trends greater than northern hemisphere (NH) trends. The observed upper stratospheric maximum annual trend is -5.5 +/- 0.9 % per decade (1 sigma) at 47.5 S and -3.8 +/- 0.5 % per decade at 47.5 N, to be compared with the modeled trends of -4.5 +/- 0.3 % per decade in the SH and -4.0 +/- 0.2% per decade in the NH. Both observed and modeled trends are most negative in winter and least negative in summer, although the modeled seasonal difference is less than observed. Model trends are shown to be greatest in winter due to a repartitioning of chlorine species and the increasing abundance of chlorine with time. The model results show that trend differences can occur depending on whether ozone profiles are in mixing ratio or number density coordinates, and on whether they are recorded on pressure or altitude levels.

Rosenfield, Joan E.↗
NASA NTRS2012

Laser Ablation Surface Preparation of Ti-6A1-4V for Adhesive Bonding

Adhesive bonding offers many advantages over mechanical fastening, but requires certification before it can be incorporated in primary structures for commercial aviation without disbond-arrestment features or redundant load paths. Surface preparation is widely recognized as the key step to producing robust and predictable bonds. Laser ablation imparts both topographical and chemical changes to a surface which can lead to increased bond durability. A laser based process provides an alternative to chemical-dip, manual abrasion and grit blast treatments which are expensive, hazardous, polluting, and less precise. This report documents preliminary testing of a surface preparation technique using laser ablation as a replacement for the chemical etch and abrasive processes currently applied to Ti-6Al-4V alloy adherends. Failure mode, surface roughness, and chemical makeup were analyzed using fluorescence enhanced visualization, microscopy, and X-ray photoelectron spectroscopy, respectively. Single lap shear tests were conducted on bonded and aged specimens to observe bond strength retention and failure mode. Some promising results showed increasing strength and durability of lap shear specimens as laser ablation coverage area and beam intensity increased. Chemical analyses showed trends for surface chemical species which correlated with improved bond strength and durability. Combined, these results suggest that laser ablation is a viable process for inclusion with or/and replacement of one or more currently used titanium surface treatments. On-going work will focus on additional mechanical tests to further demonstrate improved bond durability.

Palmieri, Frank L.↗
NASA NTRS1984

Mineralogical comparison and cooling history of lunar and chondritic vesicular melt breccias

Lunar sample 77135, an impact melt breccia full of vesicles, has been reinvestigated by electron microprobe and X-ray diffraction techniques and compared with a vesicular melt LL chondrite, Yamato 790964, in an attempt to understand their impact heating processes and subsequent cooling history. Notable similarities between the lunar and chondritic melt breccias include: abundant vesicles, similar pyroxene chemical zoning trends, the presence of variable amounts of clastic material, and similar chemical compositions except for K and Na contents of glass and mesostasis. Some constraints on the cooling history are estimated from Mg-Fe diffusion profiles in olivine and pyroxene. The burial depth of lunar sample 77135 during cooling was 0.2-100 m; the depth for the chondrite was probably smaller. Impact melts were probably produced and a layer of regolith retained on the parent body sufficiently thick to allow the olivines to homogenize during slow cooling.

Miyamoto, M.↗
NASA NTRS1989

Basalts and gabbros from Mare Crisium - Evidence for extreme fractional crystallization

Petrographic and electron microprobe techniques were used to examine igneous fragments in Luna 24 samples 24088 and 24105. It is the complex chemistry of the pyroxenes that distinguishes the different rock types. Basaltic pyroxenes exhibit an Fe-enrichment trend; the evolutionary trends are more complex in the gabbros, with enrichments in both Fe and Ti and a depletion in Cr. These chemical evolutionary trends are displayed by a progressive variation in rock types from Mg-rich olivine-gabbro to olivine-gabbro, and to ferrogabbro and ferrotroctolite. The low TiO2 content of the primary melt, possibly represented by the least-evolved Mg-rich olivine-gabbro, retarded the formation of early ilmenite and spinel, such that 'Fenner Trend' Fe enrichment occurred. The ferrotroctolite is probably the end product of chemical evolution by extreme fractional crystallization, controlled primarily by olivine and pyroxene crystallization.

Lu, F.↗
DOE OSTI2026

[C/N] Ages for Red Giants and Their Implications for Galactic Archaeology

Red giants undergo the first dredge-up, a mixing event that creates a connection between their surface [C/N] and their mass and age. We derive a [C/N]–age relationship for red giants calibrated on Apache Point Observatory Galactic Evolution Experiment (APOGEE) DR17 abundances and APOKASC-3 asteroseismic ages. We find that we can use [C/N] to reliably recover asteroseismic ages between 1 and 10 Gyr with average uncertainties of 1.64 Gyr. We find that [C/N] yields concordant ages, with modest offsets, for stars in different evolutionary states. We also find that the [C/N]–birth mass relationship is robust for luminous giants, and argue that this is an advantage over direct asteroseismology for these stars. We use our ages to infer Galactic birth abundance trends in [Fe/H] and [Mg/H] as a function of position in the Galactic disk. We filter out stars with kinematic or chemical properties consistent with migrators and find the number of migrators to be much lower than expected by standard radial migration prescriptions. The remaining population shows weak chemical evolution trends, on the order of 0.01 dex Gyr −1 , over the last 10 Gyr across a wide range of radii.

Roberts, John D. [The Ohio State Univ., Columbus, ↗
NASA NTRS1985

A survey of chemical information systems

A survey of the features, functions, and characteristics of a fairly wide variety of chemical information storage and retrieval systems currently in operation is given. The types of systems (together with an identification of the specific systems) addressed within this survey are as follows: patents and bibliographies (Derwent's Patent System; IFI Comprehensive Database; PULSAR); pharmacology and toxicology (Chemfile; PAGODE; CBF; HEEDA; NAPRALERT; MAACS); the chemical information system (CAS Chemical Registry System; SANSS; MSSS; CSEARCH; GINA; NMRLIT; CRYST; XTAL; PDSM; CAISF; RTECS Search System; AQUATOX; WDROP; OHMTADS; MLAB; Chemlab); spectra (OCETH; ASTM); crystals (CRYSRC); and physical properties (DETHERM). Summary characteristics and current trends in chemical information systems development are also examined.

Dominick, Wayne D.↗
NASA NTRS2024

Investigating Zonal Asymmetries in Stratospheric Ozone Trends From Satellite Limb Observations and a Chemical Transport Model

This study investigates the origin of a zonal asymmetry in stratospheric ozone trends at northern high latitudes, identified in satellite limb observations over the past two decades. We use a merged data set consisting of ozone profiles retrieved at the University of Bremen from SCIAMACHY and OMPS-LP measurements to derive ozone trends. We also use TOMCAT chemical transport model (CTM) simulations, forced by ERA5 reanalyses, to investigate the factors that drive the asymmetry observed in the long-term changes. By studying seasonally and longitudinally resolved observation-based ozone trends, we find, especially during spring, a well-pronounced asymmetry at polar latitudes with values up to +6 % per decade over Greenland and −5 % per decade over western Russia. The control CTM simulation agrees well with these observed trends, whereas sensitivity simulations indicate that chemical mechanisms involved in the production and removal of ozone, or their changes, are unlikely to explain the observed behavior. The decomposition of TOMCAT ozone time series and ERA5 geopotential height into the first two wavenumber components shows a clear correlation between the two variables in the middle stratosphere and demonstrates a weakening and a shift in the wavenumber-1 planetary wave activity over the past two decades. Finally, the analysis of the polar vortex position and strength points to a decadal oscillation with a reversal pattern at the beginning of the century. The same is found in the ozone trend asymmetry. This further stresses the link between changes in the polar vortex position and the identified ozone trend pattern.

Instrumentation↗
DOE OSTI2023

A Swing of the Pendulum: The Chemodynamics of the Local Stellar Halo Indicate Contributions from Several Radial Merger Events

We find that the chemical abundances and dynamics of APOGEE and GALAH stars in the local stellar halo are inconsistent with a scenario in which the inner halo is primarily composed of debris from a single massive, ancient merger event, as has been proposed to explain the Gaia-Enceladus/Gaia Sausage (GSE) structure. The data contain trends of chemical composition with energy that are opposite to expectations for a single massive, ancient merger event, and multiple chemical evolution paths with distinct dynamics are present. We use a Bayesian Gaussian mixture model regression algorithm to characterize the local stellar halo, and find that the data are fit best by a model with four components. We interpret these components as the Virgo Radial Merger (VRM), Cronus, Nereus, and Thamnos; however, Nereus and Thamnos likely represent more than one accretion event because the chemical abundance distributions of their member stars contain many peaks. Although the Cronus and Thamnos components have different dynamics, their chemical abundances suggest they may be related. We show that the distinct low- and high-α halo populations from Nissen & Schuster are explained by VRM and Cronus stars, as well as some in situ stars. Because the local stellar halo contains multiple substructures, different popular methods of selecting GSE stars will actually select different mixtures of these substructures, which may change the apparent chemodynamic properties of the selected stars. We also find that the Splash stars in the Solar region are shifted to higher v $\phi$ and slightly lower [Fe/H] than previously reported.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2016

Modeling the Thickness of Perennial Ice Covers on Stratified Lakes of the Taylor Valley, Antarctica

A one-dimensional ice cover model was developed to predict and constrain drivers of long term ice thickness trends in chemically stratified lakes of Taylor Valley, Antarctica. The model is driven by surface radiative heat fluxes and heat fluxes from the underlying water column. The model successfully reproduced 16 years (between 1996 and 2012) of ice thickness changes for west lobe of Lake Bonney (average ice thickness = 3.53 m; RMSE = 0.09 m, n = 118) and Lake Fryxell (average ice thickness = 4.22 m; RMSE = 0.21 m, n = 128). Long-term ice thickness trends require coupling with the thermal structure of the water column. The heat stored within the temperature maximum of lakes exceeding a liquid water column depth of 20 m can either impede or facilitate ice thickness change depending on the predominant climatic trend (temperature cooling or warming). As such, shallow (< 20 m deep water columns) perennially ice-covered lakes without deep temperature maxima are more sensitive indicators of climate change. The long-term ice thickness trends are a result of surface energy flux and heat flux from the deep temperature maximum in the water column, the latter of which results from absorbed solar radiation.

heat fluxes from the underlying water column↗
NASA NTRS1983

Reduction, partial evaporation, and spattering - Possible chemical and physical processes in fluid drop chondrule formation

The major chemical differences between fluid drop chondrules and their probable parent materials may have resulted from the loss of volatiles such as S, H2O, Fe, and volatile siderophile elements by partial evaporation during the chondrule-forming process. Vertical access solar furnace experiments in vacuum and hydrogen have demonstrated such chemical fractionation trends using standard rock samples. The formation of immiscible iron droplets and spherules by in situ reduction of iron from silicate melt and the subsequent evaporation of the iron have been observed directly. During the time that the main sample bead is molten, many small spatter spherules are thrown off the main bead, thereby producing many additional chondrule-like melt spherules that cool rapidly and generate a population of spherules with size frequency distribution characteristics that closely approximate some populations of fluid drop chondrules in chondrites. It is possible that spatter-produced fluid drop chondrules dominate the meteoritic fluid drop chondrule populations. Such meteoritic chondrule populations should be chemically related by various relative amounts of iron and other volatile loss by vapor fractionation.

King, E. A.↗
DOE OSTI2021

Experimental Investigation of the Thermal Decomposition Pathways and Kinetics of TATB by Isotopic Substitution

Real-time measurements of the product gases arising from the thermal decomposition of triamino-trinitro benzene (TATB), its deuterated analogue, and plastically bonded TATB (LX-17) are presented in this study. Gas-phase decomposition products are identified by IR absorption spectroscopy. The frequency shifts in rovibrational spectra due to isotopic substitution and the change in rate of formation of decomposition products due to the kinetic-isotope-effect (KIE) help elucidate the decomposition pathways. The formation of H 2 O precedes other molecules (e.g., HCN, HNCO) during decomposition. After the concentrations of HCN and HNCO molecules reach a peak, their amounts gradually decrease. The concentrations of the other decomposition products (e.g., NH 3 and CO 2 ) rapidly rise after an induction period, which is attributed to the presence of autocatalytic reactions. The trends of chemical evolution are similar for all the samples, but their kinetic behaviors are different. This indicates the rates of consistent pathways are changed during thermal decomposition. Additionally, the kinetics of deuterated TATB decomposition is slower than that of unsubstituted TATB due to the KIE (kH/kD~1.41). The rate of LX-17 decomposition is slightly lower than unsubstituted TATB (k TATB /k LX-17 ~1.15). The KIE is more pronounced during the early stage of decomposition, which is attributed to the first steps of TATB decomposition involving water formation (i.e., H vs D transfer). The KIE slows down the formation of all gases, including those lacking hydrogen (e.g., CO 2 ). These results suggest the TATB thermal decomposition mechanism might involve a series of pathways rather than a set of independent and parallel reactions.

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

Spectroscopic, Magnetic, and Computational Investigations on a Series of Rhenium(III) Cyclopentadienide β-diketiminate Halide and Pseudohalide Complexes

Here the low-valent rhenium(I) salt Na[Re(η 5 -Cp)(BDI)] (BDI = N,N'-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate) was shown to react with various halide and chalcogenolate reagents, leading to the isolation of a series of rhenium(III)-halide and -pseudohalide complexes: Re(X)(η 5 -Cp)(BDI) (1-X, X = F, Cl, Br, I; 2, X = OTf) and Re(ER)(η 5 -Cp)(BDI) (3-ER, ER = SBn, SeBn, TePh). The 1 H NMR spectra of these complexes displayed sharp resonances shifted several ppm from typical diamagnetic regions, as well as distinct chemical shift trends down both the halide (with the exception of F) and chalcogenolate series, with both Cp and BDI backbone peaks moving downfield with increasing atomic number. Subsequent magnetic susceptibility measurements of the rhenium(III) halides 1-Cl, 1-Br, and 1-I indicated that these complexes display temperature-independent paramagnetism (TIP), with χ TIP values of 7.41(44) × 10 -4 to 1.50(51) × 10 -3 cm 3 mol -1 . Multireference complete active space self-consistent field (CASSCF) computations incorporating spin-orbit state mixing revealed small energy separations (1.7-3.0 kcal/mol) between thermally isolated ground states and the first excited spin-orbit states for the rhenium halides, confirming that low-lying excited states are responsible for the observed TIP behavior.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Mineralogy of a basaltic clast in lunar highland regolith breccia 60019

Mineralogy of a basaltic clast, Ba-2, found on the cut surface of a new slab of lunar highland regolith breccia 60019 was studied and compared with that of lunar meteorites ALHA81005 and Y791197. The coarse-grained Ba-2 clast consists of Na-bearing plagioclase, high-Ca clinopyroxene, ilmenite, silica, and mesostasis. The mineralogy and chemical zoning trends in the Ba-2 clast suggest that this basalt is similar to the 60639,1 basalt in the Apollo 16 rake samples, and to Luna 16 high-alumina moderate-TiO2 mare basalts; however, olivine is not present in Ba-2. On the basis of these and other findings, and assuming the early formation of the Apollo 16 regolith breccia (as proposed by McKay et al., 1986), it is suggested that B-2 could represent a post-Nectaris lava flow older than the formation of 60019.

Takeda, Hiroshi↗
NASA NTRS1995

Assessment of pollution prevention and control technology for plating operations

The National Center for Manufacturing Sciences (NCMS) is sponsoring an on-going project to assess pollution prevention and control technology available to the plating industry and to make this information available to those who can benefit from it. Completed project activities include extensive surveys of the plating industry and vendors of technologies and an indepth literature review. The plating industry survey was performed in cooperation with the National Association of Metal Finishers. The contractor that conducted the surveys and prepared the project products was CAI Engineering. The initial products of the project were made available in April, 1994. These products include an extensive report that presents the results of the surveys and literature review and an electronic database. The project results are useful for all those associated with pollution prevention and control in the plating industry. The results show which treatment, recovery and bath maintenance technologies have been most successful for different plating processes and the costs for purchasing and operating these technologies. The project results also cover trends in chemical substitution, the identification of compliance-problem pollutants, sludge generation rates, off-site sludge recovery and disposal options, and many other pertinent topics.

Chalmer, Paul D.↗
DOE OSTI2022

Similarities behind the high- and low- α disc: small intrinsic abundance scatter and migrating stars

The detailed age-chemical abundance relations of stars measure time-dependent chemical evolution. These trends offer strong empirical constraints on nucleosynthetic processes, as well as the homogeneity of star-forming gas. Characterizing chemical abundances of stars across the Milky Way over time has been made possible very recently, thanks to surveys like Gaia , APOGEE, and Kepler . Studies of the low- α disc have shown that individual elements have unique age–abundance trends and the intrinsic dispersion around these relations is small. In this study, we examine and compare the age distribution of stars across both the high and low- α disc and quantify the intrinsic dispersion of 16 elements around their age–abundance relations at [Fe/H] = 0 using APOGEE DR16. Here, we examine the age–metallicity relation and visualize the temporal and spatial distribution of disc stars in small chemical cells. We find: (1) the high- α disc has shallower age–abundance relations compared to the low- α disc, but similar median intrinsic dispersions of ~0.03 dex; (2) turnover points in the age-[Fe/H] relations across radius for both the high- and low- α disc. The former constrains the mechanisms that set similar intrinsic dispersions, regardless of differences in the enrichment history, for stars in both disc, and the latter indicates the presence of radial migration in both disc. Our study is accompanied by an age catalogue for 64 317 stars in APOGEE derived using THE CANNON with a median uncertainty of 1.5 Gyr (26 per cent; APO-CAN stars), and a red clump catalogue of 22 031 stars with a contamination rate of 2.7 per cent.

79 ASTRONOMY AND ASTROPHYSICS↗