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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Observations of chemical processing in the circumstellar environment

High resolution interferometer and single-dish observations of young, deeply embedded stellar systems reveal a complex chemistry in the circumstellar environments of low to intermediate mass stars. Depletions of gas-phase molecules, grain mantle evaporation, and shock interactions actively drive chemical processes in different regions around young stars. We present results for two systems, IRAS 05338-0624 and NCG 1333 IRAS 4, to illustrate the behavior found and to examine the physical processes at work.

NASA Program Exobiology↗
DOE OSTI2022

Materials properties characterization in the most extreme environments

Abstract There is an ever-increasing need for material systems to operate in the most extreme environments encountered in space exploration, energy production, and propulsion systems. To effectively design materials to reliably operate in extreme environments, we need an array of tools to both sustain lab-scale extreme conditions and then probe the materials properties across a variety of length and time scales. Within this article, we examine the state-of-the-art experimental systems for testing materials under extreme environments and highlight the limitations of these approaches. We focus on three areas: (1) extreme temperatures, (2) extreme mechanical testing, and (3) chemically hostile environments. Within these areas, we identify six opportunities for instrument and technique development that are poised to dramatically impact the further understanding and development of next-generation materials for extreme environments. Graphical abstract

Schreiber, Daniel K.↗
NASA NTRS2002

Ultramafic Terranes and Associated Springs as Analogs for Mars and Early Earth

Putative extinct or extant Martian organisms, like their terrestrial counterparts, must adopt metabolic strategies based on the environments in which they live. In order for organisms to derive metabolic energy from the natural environment (Martian or terrestrial), a state of thermodynamic disequilibrium must exist. The most widespread environment of chemical disequilibrium on present-day Earth results from the interaction of mafic rocks of the ocean crust with liquid water. Such environments were even more pervasive and important on the Archean Earth due to increased geothermal heat flow and the absence of widespread continental crust formation. The composition of the lower crust and upper mantle of the Earth is essentially the-same as that of Mars, and the early histories of these two planets are similar. It follows that a knowledge of the mineralogy, water-rock chemistry and microbial ecology of Earth's oceanic crust could be of great value in devising a search strategy for evidence of past or present life on Mars. In some tectonic regimes, cross-sections of lower oceanic crust and upper mantle are exposed on land as so-called "ophiolite suites." Such is the case in the state of California (USA) as a result of its location adjacent to active plate margins. These mafic and ultramafic rocks contain numerous springs that offer an easily accessible field laboratory for studying water/rock interactions and the microbial communities that are supported by the resulting geochemical energy. A preliminary screen of Archaean biodiversity was conducted in a cold spring located in a presently serpentinizing ultramafic terrane. PCR and phylogenetic analysis of partial 16s rRNA, sequences were performed on water and sediment samples. Archaea of recent phylogenetic origin were detected with sequences nearly identical to those of organisms living in ultra-high pH lakes of Africa.

Blake, David↗
NASA NTRS2002

Analytical/Operational Requirements for the In Situ Chemical Analysis of Cometary and Planetary Environments Using GC-IMS

Exobiology flight experiments require highly sensitive instrumentation for the in situ analysis of the volatile chemical species that occur in the atmospheres and surfaces of various bodies within the solar system. The complex mixtures encountered place a heavy burden on the analytical instrumentation to detect and identify all species present. The minimal resources available onboard for such missions mandate that the instruments provide maximum analytical capabilities with minimal requirements of volume, weight and consumables. The miniCIDEX instrument was developed for the chemical analysis of a cemetery environment. It combined a Gas Chromatograph (GC) with a helium based Ion Mobility Spectrometer (IMS) to fulfill the analytical requirements of a cemetery exobiology mission: universal response; ppb sensitivity; low mass, volume and consumable MiniCIDEX is now a candidate for the chemical analysis instrument of a Titan Aero-rover Mission. The complexity of the analyses will be similar to the comet application with a heavier emphasis on organic molecules. Because the Titan Aero-Rover will be a balloon powered rover, much more attention is placed on the total mass of the instrument package. The GC will likely be a Micro-Electro-Mechanical-System (MEMS) design, smaller than the initial miniCIDEX GC by a factor of ten (with a similar reduction in consumable use). Similar miniaturization of the helium-based IMS will be necessary while maintaining the analytical capabilities. The two mission applications, the analytical requirements, and the evolution of the IMS design to accommodate these requirements will be presented.

Kojiro, Daniel R.↗
NASA NTRS1972

Some studies on the behavior of W-RE thermocouple materials at high temperatures

Bare 0.25 mm diameter W-Re alloy thermoelements (W, W-3% Re, W-5% Re and W-25%) and BeO-insulated W-3% Re and W-25% Re thermoelements were examined for metallurgical, chemical and thermal emf changes after testing for periods up to 1000 hours at temperatures principally in the range 2000 to 2400 K. Environments for the tests consisted of high purity argon, hydrogen, helium or nitrogen gases. Commercially obtained bare-wire thermoelements typically exhibited a shift in their emf-temperature relationship upon initial exposure. The shift was completed by thermally aging the W-3% Re thermoelement for 1 hour and the W-25% Re thermoelement for 2 minutes at 2400 K in argon or hydrogen. Aged thermoelements experienced no appreciable drift with subsequent exposure at 2400 K in the gaseous environments. The chemically doped W3% Re thermoelement retained a small-grained structure for exposure in excess of 50 hours at 2400 K. BeO-insulated thermoelement assemblies showed varied behavior that depended upon the method of exposure. However, when the assemblies were heated in a furnace, no serious material incompatibility problems were found if the materials were given prior thermal treatments. Thermocouples, assembled from aged W-3% Re and W-25% Re thermoelements and degassed sintered BeO insulators, exhibited a drift of only 2 to 3 K during exposure in argon at 2070 K for 1029 hours.

Burns, G. W.↗
DOE OSTI2020

The effects of warming and soil chemistry on bacterial community structure in Arctic tundra soils

Soil microbial communities in the Arctic play a critical role in regulating the global carbon (C) cycle. Vast amounts of C are stored in northern latitude soils, and rising temperatures in the Arctic threaten to thaw permafrost, making relatively inaccessible C sources more available for mineralization by soil microbes. Few studies have characterized how microbial community structure responds to thawing permafrost in the context of varying soil chemistries associated with contrasting tundra landscapes. Here, we subjected active layer and permafrost soils from upland and lowland tundra sites on the North Slope of Alaska to a soil-warming incubation experiment and compared soil bacterial community profiles (obtained by 16S rRNA amplicon sequencing) before and after incubation. The influence of soil composition (characterized by mid-infrared [MIR] spectroscopy) on bacterial community structure and class abundance was analyzed using redundancy and correlation analyses. We found increased abundances of Alphaproteobacteria, Gammaproteobacteria, and Bacteroidetes [Sphingobacteriia] post incubation, particularly in permafrost soils. The categorical descriptors site and soil layer had the most explanatory power in our predictive models of bacterial community structure, highlighting the close relationship between soil bacteria and the soil environment. Specific soil chemical attributes characterizing the soil environments that were found to be the best predictors include MIR spectral bands associated with inorganic C, silicates, amide II (C=N stretch), and carboxylics (C-O stretch), and MIR peak ratios representing C substrate quality. Overall, these results further characterize soil bacterial community shifts that may occur as a frozen environment with limited access to C sources, such as is found in undisturbed permafrost, transitions to warmer and more C-available environments, such as is predicted in thawing permafrost due to climate change.

16S rRNA sequencing↗
DOE OSTI2020

Reimagining pH Measurement: Utilizing Raman Spectroscopy for Enhanced Accuracy in Phosphoric Acid Systems

Measurement of pH is an integral component of chemical studies and process control; however traditional pH probes are difficult to utilize in harsh or complex chemical systems. Optical spectroscopy-based on-line monitoring offers a powerful and novel route for characterizing system parameters, such as pH, and is well adapted to deployment in harsh environments or chemically complex systems. Specifically, Raman spectroscopy combined with chemometric analysis can provide an improved method of on-line pH measurement. Therefore, multivariate curve resolution analysis of Raman spectra can be utilized to determine speciation as a function of pH and subsequent chemometric modeling can be used to correlate spectral response to pH. This was demonstrated with phosphoric acid, a chemical system known to challenge traditional pH probes. Raman spectra exhibit clear changes with pH due to changing speciation, and chemometric modeling can be successfully utilized to correlate those fingerprints to pH. Using this approach, true pH of the phosphoric acid system can be measured with greater accuracy than with traditional pH probes.

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

Probing Surface/Bulk Structural Chemistry of Key Components of Solid Oxide Electrochemical Cells with In Situ / Operando Raman Spectroscopy

The remarkable attributes of solid oxide electrochemical cell technology (e.g., energy efficiency, low cost, scalability, low emissions, and operational flexibility, etc.) drive the wider adoption of electrochemical conversion routes for sustainability. It is critical for the codevelopment of solid oxide cell materials and processes to establish the mechanistic understanding of the underlying chemical phenomena at the molecular level. Herein, we summarize the advancements in Raman spectroscopy that provide structural/molecular information on electrode/electrolyte materials typically used in solid oxide cells for energy conversion. In particular, we discuss the multifactorial environment induced chemical processes that govern the performance and longevity of solid oxide electrochemical devices. The in situ/operando Raman spectroscopic investigations on the electrode/electrolyte materials reported in the literature are summarized with the emphasis on identification of key material properties that control the functional aspects of the solid oxide cells. The molecular level understanding of the electrochemical processes will allow advancement of the rational design of electrochemical materials for process level deployment of solid oxide cell technology.

Electrodes↗
NASA NTRS1990

The chemical effects of the Martian environment on power system component materials: A theoretical approach

In the foreseeable future, an expedition may be undertaken to explore the planet Mars. Some of the power source options being considered for such a mission are photovoltaics, regenerative fuel cells and nuclear reactors. In addition to electrical power requirements, environmental conditions en route to Mars, in the planetary orbit and on the Martian surface must be simulated and studied in order to anticipate and solve potential problems. Space power systems components such as photovoltaic arrays, radiators, and solar concentrators may be vulnerable to degradation in the Martian environment. Natural characteristics of Mars which may pose a threat to surface power systems include high velocity winds, dust, ultraviolet radiation, large daily variation in temperature, reaction to components of the soil, atmosphere and atmospheric condensates as well as synergistic combinations. Most of the current knowledge of the characteristics of the Martian atmosphere and soil composition was obtained from the Viking 1 and 2 missions in 1976. A theoretical study is presented which was used to assess the effects of the Martian atmospheric conditions on the power systems components. A computer program written at NASA-Lewis for combustion research that uses a free energy minimization technique was used to calculate chemical equilibrium for assigned thermodynamic states of temperature and pressure. The power system component materials selected for this study include: silicon dioxide, silicon, carbon, copper, and titanium. Combinations of environments and materials considered include: (1) Mars atmosphere with power surface material, (2) Mars atmosphere and dust component with power surface material, and (3) Mars atmosphere and hydrogen peroxide or superoxide or superoxide with power system material. The chemical equilibrium calculations were performed at a composition ratio (oxidant to reactant) of 100. The temperature for the silicon dioxide material and silicon, which simulate photovoltaic cells, were 300 and 400 K; for carbon, copper and titanium, which simulate radiator surfaces, 300, 500, and 1000 K. All of the systems were evaluated at pressures of 700, 800, and 900 Pa, which stimulate the Martian atmosphere.

Perez-Davis, Marla E.↗
DOE OSTI2025

Dissipation Pathways in a Photosynthetic Complex

Determining how energy flows within and between molecules is crucial for understanding chemical reactions, material properties, and even vital processes such as photosynthesis. While the general principles of energy transfer are well established, elucidating the specific molecular pathways by which energy is funneled remains challenging, as it requires tracking energy flow in complex molecular environments. Here, we demonstrate how photon excitation energy is partially dissipated in the light-harvesting Fenna–Matthews–Olson (FMO) complex, mediating the excitation energy transfer from light-harvesting chlorosomes to the photosynthetic reaction center in green sulfur bacteria. Specifically, we isolate the contribution of the protein and specific vibrational modes of the pigment molecules to the energy dynamics. For this, we introduce an efficient computational implementation of a recently proposed theory of dissipation pathways for open quantum systems, based on second-order perturbation theory in the electronic couplings. Using it and a state-of-the-art FMO model with highly structured and chromophore-specific spectral densities, we demonstrate that energy dissipation is dominated by low-frequency modes (<800 cm –1 ) as their energy range is near-resonance with the energy gaps between electronic states of the pigments. We identify the most important modes for dissipation to be in-plane breathing modes (∼200 cm –1 ) of the bacteriochlorophylls in the complex. Conversely, far-detuned intramolecular vibrations with higher frequencies (>800 cm –1 ) play no role in dissipation. Interestingly, the FMO complex first needs to borrow energy from the environment to release excess photonic energy, indicating that the energy exchange between the system and thermal environment is not strictly unidirectional in time but involves a transient thermally activated step. Beyond their fundamental value, these insights can guide the development of artificial light-harvesting devices and, more broadly, engineer environments for chemical and quantum control tasks.

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

The genome-scale metabolic model for the purple non-sulfur bacterium Rhodopseudomonas palustris Bis A53 accurately predicts phenotypes under chemoheterotrophic, chemoautotrophic, photoheterotrophic, and photoautotrophic growth conditions

The purple non-sulfur bacterium Rhodopseudomonas palustris is recognized as a critical microorganism in the nitrogen and carbon cycle and one of the most common members in wastewater treatment communities. This bacterium is metabolically extremely versatile. It is capable of heterotrophic growth under aerobic and anaerobic conditions, but also able to grow photoautotrophically as well as mixotrophically. Therefore R . palustris can adapt to multiple environments and establish commensal relationships with other organisms, expressing various enzymes supporting degradation of amino acids, carbohydrates, nucleotides, and complex polymers. Moreover, R . palustris can degrade a wide range of pollutants under anaerobic conditions, e.g., aromatic compounds such as benzoate and caffeate, enabling it to thrive in chemically contaminated environments. However, many metabolic mechanisms employed by R . palustris to breakdown and assimilate different carbon and nitrogen sources under chemoheterotrophic or photoheterotrophic conditions remain unknown. Systems biology approaches, such as metabolic modeling, have been employed extensively to unravel complex mechanisms of metabolism. Previously, metabolic models have been reconstructed to study selected capabilities of R . palustris under limited experimental conditions. Here, we developed a comprehensive metabolic model (M-model) for R . palustris Bis A53 ( i DT1294) consisting of 2,721 reactions, 2,123 metabolites, and comprising 1,294 genes. We validated the model using high-throughput phenotypic, physiological, and kinetic data, testing over 350 growth conditions. i DT1294 achieved a prediction accuracy of 90% for growth with various carbon and nitrogen sources and close to 80% for assimilation of aromatic compounds. Moreover, the M-model accurately predicts dynamic changes of growth and substrate consumption rates over time under nine chemoheterotrophic conditions and demonstrated high precision in predicting metabolic changes between photoheterotrophic and photoautotrophic conditions. This comprehensive M-model will help to elucidate metabolic processes associated with the assimilation of multiple carbon and nitrogen sources, anoxygenic photosynthesis, aromatic compound degradation, as well as production of molecular hydrogen and polyhydroxybutyrate.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2018

Operational Testing of 4H-SiC JFET ICs for 60 Days Directly Exposed to Venus Surface Atmospheric Conditions

Prolonged Venus surface missions (lasting months instead of hours) have proven infeasible to date in the absence of a complete suite of electronics able to function for such durations without protection from the planet’s extreme conditions of ~460 °C, ~9.3 MPa (~ 92 Earth atmospheres) chemically reactive environment. Here we report testing data from a successful two-month (60-day) operational demonstration of two 175-transistor 4H-SiC junction field effect transistor (JFET) semiconductor integrated circuits (ICs) directly exposed (no cooling and no protective chip packaging) to a high-fidelity physical and chemical reproduction of Venus surface atmospheric conditions in a test chamber. These results extend the longest reported duration of electronics operation in Venus surface atmospheric conditions almost 3-fold and were accomplished using prototype SiC JFET chips of more than 7-fold increased complexity. The demonstrated advancement marks a significant step towards realization of electronics with sufficient complexity and durability for implementing robotic landers capable of returning months of scientific data from the surface of Venus.

Integrated Circuit↗
DOE OSTI2022

Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts

The predominant ionic chemistry and the similarity in ionic radius of actinides make it very difficult to structurally distinguish them in liquids. In this work, while ab initio molecular dynamics shows that the f-states clearly affects the electronic properties, their impact on structural properties is not obvious. For the series of trivalent actinides U 3+ , Pu 3+ , Cm 3+ , Cf 3+ , Fm 3+ in molten NaCl and FLiBe, actinide ligand bonds have a higher degree of covalency in NaCl (than in FLiBe), and a higher degree of ionicity in FLiBe. Furthermore, a machine learned classification model can distinguish atomic environments of chemically similar actinides, as long as atoms beyond the first solvation shells are considered. Our work shows that only two types of descriptors are necessary to account for all the fluctuations in heavy metal/molten salt mixtures: The first descriptor represents the electronic state of the heavy metal, while the second encompasses the local coordination environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Variations in the Fe mineralogy of bright Martian soil

Bright regions on Mars are interpreted as 'soil' derived by chemical alteration of crustal rocks, whose main pigmentary component is ferric oxide or oxyhydroxide. The mineralogy and mineralogic variability of ferric iron are important evidence for the evolution of Martian soil: mineralogy of ferric phases is sensitive to chemical conditions in their genetic environments, and the spatial distributions of different ferric phases would record a history of both chemical environments and physical mixing. Reflectance spectroscopic studies provide several types of evidence that discriminate possible pigmentary phases, including the position of a crystal field absorption near 0.9 microns and position and strengths of absorptions in the UV-visible wavelength region. Recent telescopic spectra and laboratory measurements of Mars soil analogs suggest that spectral features of bright soil can be explained based on a single pigmentary phase, hematite (alpha-Fe2O3), occurring in both 'nanophase' and more crystalline forms. Here we report on a systematic investigation of Martian bright regions using ISM imaging spectrometer data, in which we examined spatial variations in the position and shape of the approximately 0.9 microns absorption. We found both local and regional heterogeneities that indicate differences in Fe mineralogy. These results demonstrate that bright soils do not represent a single lithology that has been homogenized by eolian mixing, and suggest that weathering of soils in different geologic settings has followed different physical and chemical pathways.

Murchie, Scott↗
DOE OSTI2024

Reliability of Materials and Components for Solid Oxide Fuel Cells

Planar stack solid-oxide fuel cells (SOFCs) require seals that must operate reliably under demanding conditions for lifetimes of 40000 hours. This includes temperature fluctuations between 800°C and RT during on and off cycles, thermal stresses, oxidizing environments and chemical degradation to name a few. This comprehensive report provides results from long term testing of two commercially available multicomponent barium alkali silicate glasses: SCN and G6, chosen as sealing candidates. In this scope, the glass seals were deposited on YSZ and Al 2 O 3 substrates simulating electrolytes (Zrbased) and coatings (both zirconia and Al 2 O 3 ). The seal-substrate couples were subjected to 800°C under air and steam+H 2 +N 2 environments up to 40000 hours to test their integrity under real operating conditions. Extensive studies on the effects of exposure have been conducted over the span of testing at various time intervals. Within the context of characterization, mechanical properties such as density, roughness, thermal expansion and glass transition, viscosity and wettability behavior; and microstructural properties such as glass chemistries, defect formation (cracks and pores), phase transformations (devitrification) and glass-interface reactions are investigated. Results and discussions are provided with a focus on the degradation of the properties over long term interrupted testing.

30 DIRECT ENERGY CONVERSION↗
NASA NTRSDate not supplied

The Chemical and Isotopic Signatures of the Hibonite-rich FUN Inclusion "HIDALGO" in Dar al Gani 027 (CO3)

Refractory Ca-Al-rich Inclusions (CAIs) with FUN (Fractionation with Unidentified Nuclear effects) characteristics are peculiar samples among all high-temperature components in chondritic meteorites. They are generally characterized by strong mass-dependent isotopic fractionations in several elements (e.g., O, Mg, Ca, Ti), large (~5-20‰) enrichments or depletions in neutron-rich isotopes (e.g., 48 Ca, 50 Ti, 54 Cr), and low inferred abundances of 26 Al ( 26 Al/ 27 Al < 1×10 −5 ). Understanding the origins of these features in FUN CAIs can shed light on the astrophysical environment and chemical processes that took place in the early Solar System. A large fraction (slightly less than 50%) of the ~20 FUN CAIs discovered so far are hibonite-rich (such as HAL, SHAL and DH-H1, collectively called HAL-type inclusions hereafter). According to their elemental and isotopic signatures and the results of evaporation experiments, HAL-type inclusions are thought to have formed as a distillation residue. However, questions regarding the timing of the formation of HAL-type inclusions (or FUN inclusions in general) relative to those of regular CAIs and the decoupling between the 26 Al abundances and nucleosynthetic anomalies remain poorly understood. In 2021, we reported the discovery of a new HAL-type inclusion, HIDALGO (Hibonite in Dar al Gani CO3) in the CO3 chondrite Dar al Gani 027 (DaG027), based on its (fractionated) oxygen isotopic compositions and low inferred 26 Al/ 27 Al ratio of (1.50±0.02)×10 −5 . Since then, more work on other short-lived and stable isotope systems and trace element abundances has been conducted. Here we report these new results and discuss the implications for the possible formation history of HIDALGO and origins of shortlived radionuclides (SLRs).

Meteorite↗
DOE OSTI2024

Solid-State Hydroxide Ion Conductivity in Silver(I) Oxide, Ag 2 O

Silver (I) oxide, Ag 2 O, precipitated as microcrystals by combining aqueous silver(I) nitrate and KOH solutions, was found to be a solid-state hydroxide ion conductor with ionic conductivity on the order of 10 -3 S/cm. The proton chemical shifts at 4.87 and -7.35 ppm measured by solid-state 1H-NMR experiments are attributed to water molecules and in-lattice OH - coordinated to silver, respectively. The lack of spinning sidebands around the 4.87 ppm peak indicates rapid reorientation on the NMR timescale, suggesting that the water molecules are adsorbed to the surface of the Ag 2 O crystals. Pulsed field gradient measurements gave similar diffusion coefficients (2 x 10 -7 cm 2 /s at 298K) for all three proton environments indicating chemical exchange between sites on the millisecond timescale. The activation energy for OH - diffusion measured by NMR (0.18 eV) was comparable to that obtained by conductivity measurements and density functional theory (DFT) electronic structure calculations. Furthermore, the calculated Pourbaix diagram of Ag 2 O is consistent with the slightly lower sample density observed in He pycnometry and thermogravimetric measurements.

25 ENERGY STORAGE↗
NASA NTRS2004

Thermal Emission Spectroscopy of Sulfates: Possible Hydrous Iron-Sulfate in the Soil at the MER-A Gusev Crater Landing Site

Sulfates are likely to be present on Mars as indicated by the sulfur abundances measured at the Viking and Pathfinder landing sites (approx. 5-10% by weight SO3) [1-3] and because of Mars strongly oxidizing environment. Telescopic observations of Mars tentatively identified weak sulfate bands in near infrared [4] and thermal infrared [5] data. The currently orbiting midinfrared instruments (TES, THEMIS) and the Mini-TES on the Mars Exploration Rover landers may enable a positive identification [6] and determination of the chemistry of the sulfates. Critically important to the identification of these minerals is the presence of their spectra in a spectral library. There exist approximately 370 sulfate-mineral species [7]. Sulfate minerals occur in volcanic, hydrothermal, evaporitic, and chemical-weathering environments.

Lane, Melissa D.↗