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At least 1,117 records · Page 62

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Structure design enables stable anionic and cationic redox chemistry in a T2-type Li-excess layered oxide cathode

Coupled with anionic and cationic redox chemistry, Li-rich/excess cathode materials are prospective high-energy-density candidates for the next-generation Li-ion batteries. However, irreversible lattice oxygen loss would exacerbate irreversible transition metal migration, resulting in a drastic voltage decay and capacity degeneration. Herein, a metastable layered Li-excess cathode material, T2-type Li 0.72 [Li 0.12 Ni 0.36 Mn 0.52 ]O 2 , was developed, in which both oxygen stacking arrangement and Li coordination environment fundamentally differ from that in conventional O3-type layered structures. By means of the reversible Li migration processes and structural evolutions, not only can voltage decay be effectively restrained, but also excellent capacity retention can be achieved upon long-term cycling. Moreover, irreversible/reversible anionic/cationic redox activities have been well assigned and quantified by various in/ex-situ spectroscopic techniques, further clarifying the charge compensation mechanism associated with (de)lithiation. These findings of the novel T2 structure with the enhanced anionic redox stability will provide a new scope for the development of high-energy-density Li-rich cathode materials.

25 ENERGY STORAGE↗

NASA NTRS1993

Chemical and luminosity evolution, and counts of galaxies in a merger model

A merger model is applied to the chemical and luminosity evolution of galaxies. Two aspects are focused on. The first is the problem of abundance ratios as a function of metallicity. The second is related to the luminosity evolution of galaxies. In relation to the former, we calculate the evolution of several chemical elements exploring a broad space of possible star formation rates, including those derived using phenomenological arguments from a multiple merger galaxy formation scenario. We are able to reproduce the observed plateau in the ratio of the abundances of oxygen to iron versus metallicity as a direct consequence of one of the merging SFR used; we have utilized a standard Type II supernovae nucleosynthesis scenario coupled with a reasonable binary model for Type Ia supernovae and its consequent nucleosynthetic yields. Following the consequent luminosity effects in a straightforward way enables the estimation of the evolution of bolometric luminosity. We have used our recently developed code for photometric evolution of galaxies to make a preliminary computation of the number-magnitude relationship, assuming a standard picture of galaxy evolution, in the B and K bands.

Colin, P.↗

DOE OSTI2023

Revealing CO 2 dissociation pathways at vicinal copper (997) interfaces

Size- and shape-tailored copper (Cu) nanocrystals can offer vicinal planes for facile carbon dioxide (CO 2 ) activation. Despite extensive reactivity benchmarks, a correlation between CO 2 conversion and morphology structure has not yet been established at vicinal Cu interfaces. Herein, ambient pressure scanning tunneling microscopy reveals step-broken Cu nanocluster evolutions on the Cu(997) surface under 1 mbar CO 2 (g). The CO 2 dissociation reaction produces carbon monoxide (CO) adsorbate and atomic oxygen (O) at Cu step-edges, inducing complicated restructuring of the Cu atoms to compensate for increased surface chemical potential energy at ambient pressure. The CO molecules bound at under-coordinated Cu atoms contribute to the reversible Cu clustering with the pressure gap effect, whereas the dissociated oxygen leads to irreversible Cu faceting geometries. Synchrotron-based ambient pressure X-ray photoelectron spectroscopy identifies the chemical binding energy changes in CO-Cu complexes, which proves the characterized real-space evidence for the step-broken Cu nanoclusters under CO(g) environments. Our in situ surface observations provide a more realistic insight into Cu nanocatalyst designs for efficient CO 2 conversion to renewable energy sources during C 1 chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Moessbauer spectrometer for mineralogical analysis of the Mars surface: Moessbauer source considerations

Development of space rocketry and cosmic instrument making has made it possible to create interplanetary stations to be sent to the solar system bodies. In the last decade of the century the planet Mars will be in the focus of planetary science problems. Russia, USA (the NASA) and Europe (the ESA) plan to do a new step in the study of the planetary system by spacecraft missions to Mars. One part of the programs of these missions is Martian surface measurements of iron, which is a dominant element in both the Martian soil and rocks (about 13 percent by weight). The chemistry of iron in space is strongly coupled to the chemistry of abundant elements (to begin with hydrogen, carbon, oxygen) and it is this coupling of chemical cycles of abundant elements that gives us the possibility of understanding some features of the chemical evolution of matter. In this connection of extremely great importance for the understanding of the evolution of the solar system are the oxidation state of the iron and its mineral composition of the Mars surface. Being highly successful, the Viking landers had no instrumentation to answer these questions. Such instrumentation has to be specifically sensitive to mineralogy. For this purpose the back scattering Moessbauer spectrometer (MS-96) was proposed to be installed on a rover to be launched on board the Russian spacecraft Mars-96 mission to Mars. Due to power and mass restrictions three systems of the device MS-96 (velocity transducer, detector and electronic components) have been extremely miniaturized in comparison to a standard system. In this paper we intend to place for consideration a radioactive source to find out what characteristics it should have to be suitable for purposes of the experiment.

Evlanov, E. N.↗

NASA NTRSDate not supplied

Effect of Pressure on Trace Element Activity Coefficients in Metal-Silicate Systems

The partitioning of trace elements between metal and silicate melts serves as the foundation for understanding the differentiation of a planetary body into a metallic core and silicate mantle. Element activity influences metal-silicate partitioning behavior. Activity coefficients are directly dependent on composition and temperature, and can be indirectly dependent on oxygen fugacity and pressure. Distinguishing the effect of pressure from other variables on the activity coefficients and partitioning is important for understanding the chemical evolution of different planetary bodies during differentiation. In this study, we investigated the influence of pressure on the activity coefficients of Cu, Mo, Pd, Pt, As, Sb, and Bi in Fe-Si metallic liquids. All of these elements exhibit moderate to high activity coefficients in Fe-Si liquids at low pressure, which significantly controls their metal-silicate partitioning behavior. Identifying whether this strong dependence persists at higher pressures is critical to modeling and understanding the chemical consequences of core formation. New experiments at 10 GPa were used to derive activity coefficients for these metals which can be compared to activity coefficients determined at 1 GPa. Experiments were conducted at 10 GPa and 2373K using a 10/5 assembly in the 880-ton multi-anvil press at NASA Johnson Space Center. The standard 10/5 COMPRES assembly was slightly modified to accommodate a sample capsule machined from single-crystal MgO that minimizes melt percolation out of the sample volume during the experiment. Experiment starting materials were comprised of 70 wt.% Knippa basalt and 30 wt.% metal. The metal mixture (~85 wt.% Fe) was created by adding the elements of interest (Cu, Mo, Pd, Pt, As, Sb, Bi) to Fe metal powder. Varied amounts of Si metal (0-10 wt.% Si) were added to the metal-silicate mixtures to generate a systematic series of starting materials. For each element, an epsilon interaction parameter in Fe-Si liquid was derived from the results of our 0-10 wt.% Si metal series. To investigate whether pressure influences the trace element activity coefficients in the 1-10 GPa pressure range, we compared our results at 10 GPa to those at 1-4 GPa [1-3]. Our results can also be directly compared to interaction parameters for Au, P, V, Mn, Ga, Zn, Cd, Sn, W, Pb, and Nb previously determined at 10 GPa and 2373K following the same methods [4]. Combined, this suite of interaction parameters will directly inform metal-silicate partitioning between 1 and 10 GPa, and assess whether these values can be extrapolated to modeling differentiation processes at pressures >10 GPa.

Kelsey Prissel↗

NASA NTRSDate not supplied

Effect of Pressure and Oxidation State on Pnictogen Metal-Silicate Partitioning

The partitioning of trace elements between metal and silicate melts serves as the foundation for understanding the differentiation of a planetary body into a metallic core and silicate mantle. Element activity influences metal-silicate partitioning behavior. Activity coefficients are directly dependent on composition and temperature, and can be indirectly dependent on oxygen fugacity and pressure. Distinguishing the effect of pressure from other variables on the activity coefficients and partitioning is important for understanding the chemical evolution of different planetary bodies during differentiation. In this study, we investigated the influence of pressure on the activity coefficients of Cu, Mo, Pd, Pt, As, Sb, and Bi in Fe-Si metallic liquids. All of these elements exhibit moderate to high activity coefficients in Fe-Si liquids at low pressure, which significantly controls their metal-silicate partitioning behavior. Identifying whether this strong dependence persists at higher pressures is critical to modeling and understanding the chemical consequences of core formation. New experiments at 10 GPa were used to derive activity coefficients for these metals which can be compared to activity coefficients determined at 1 GPa. Experiments were conducted at 10 GPa and 2373K using a 10/5 assembly in the 880-ton multi anvil press at NASA Johnson Space Center. The standard 10/5 COMPRES assembly was slightly modified to accommodate a sample capsule machined from single-crystal MgO that minimizes melt percolation out of the sample volume during the experiment. Experiment starting materials were comprised of 70 wt.% Knippa basalt and 30 wt.% metal. The metal mixture (~85 wt.% Fe) was created by adding the elements of interest (Cu, Mo, Pd, Pt, As, Sb, Bi) to Fe metal powder. Varied amounts of Si metal (0-10 wt.% Si) were added to the metal-silicate mixtures to generate a systematic series of starting materials. For each element, an epsilon interaction parameter in Fe-Si liquid was derived from the results of our 0-10 wt.% Si metal series. To investigate whether pressure influences the trace element activity coefficients in the 1-10 GPa pressure range, we compared our results at 10 GPa to those at 1-4 GPa [1-3]. Our results can also be directly compared to interaction parameters for Au, P, V, Mn, Ga, Zn, Cd, Sn, W, Pb, and Nb previously determined at 10 GPa and 2373K following the same methods [4]. Combined, this suite of interaction parameters will directly inform metal- silicate partitioning between 1 and 10 GPa, and assess whether these values can be extrapolated to modeling differentiation processes at pressures >10 GPa. [1] Righter et al. (2018) GCA 232, 101-123 [2] Righter et al. (2019) MaPS 54, 1379-1394 [3] Steenstra et al. (2020) Icarus, 335, 113391 [4] Righter et al. (2020) Geochem. Persp. Let. 15, 44-49

Kelsey Prissel↗

DOE OSTI2025

Understanding and design of interstitial oxygen conductors

Highly efficient oxygen-active materials that react with, absorb, and transport oxygen is essential for fuel cells, electrolyzers and related applications. While vacancy-mediated oxygen-ion conductors have long been the focus of research, they are limited by high migration barriers at intermediate temperatures (400–600 °C), which hinder their practical applications. In contrast, interstitial oxygen conductors exhibit significantly lower migration barriers enabling higher ionic conductivity at lower temperatures. This review systematically examines both well-established and recently identified families of interstitial oxygen-ion conductors, focusing on how their unique structural motifs such as corner-sharing polyhedral frameworks, isolated polyhedral, and cage-like architectures, facilitate low migration barriers through interstitial and/or interstitialcy diffusion mechanisms. A central discussion of this review focuses on the evolution of design strategies, from targeted donor doping, element screening, to physical-intuition descriptor material screening and machine learning approach, which leverage computational tools to explore vast chemical spaces in search for new interstitial conductors. The success of these strategies demonstrates that a significant, largely unexplored space remains for discovering high-performing interstitial oxygen conductors. Crucial features enabling high-performance interstitial oxygen diffusion include the availability of electrons for oxygen reduction and sufficient structural flexibility with accessible volume for interstitial accommodation and migration. This review concludes with a forward-looking perspective, proposing a knowledge-driven methodology that integrates current understanding with data-centric approaches to identify promising interstitial oxygen conductors outside traditional search paradigms. These approaches are expected to significantly accelerate the development of high-performance interstitial oxygen conductors for a variety of oxygen-active applications, ultimately paving the way for more efficient and sustainable energy technologies.

Interstitial oxygen conductors↗

NASA NTRS1994

Protein structure, electron transfer and evolution of prokaryotic photosynthetic reaction centers

Photosynthetic reaction centers from a variety of organisms have been isolated and characterized. The groups of prokaryotic photosynthetic organisms include the purple bacteria, the filamentous green bacteria, the green sulfur bacteria and the heliobacteria as anoxygenic representatives as well as the cyanobacteria and prochlorophytes as oxygenic representatives. This review focuses on structural and functional comparisons of the various groups of photosynthetic reaction centers and considers possible evolutionary scenarios to explain the diversity of existing photosynthetic organisms.

NASA Discipline Exobiology↗

DOE OSTI2022

Laser diagnostics to characterize the in-flame growth of platinum nanoparticles manufactured by the reactive spray deposition technology

Reactive Spray Deposition Technology (RSDT) is an atmospheric pressure, flame-based advanced manufacturing method used to fabricate Membrane Electrode Assemblies (MEAs) for proton exchange fuel cells and water electrolyzers. RSDT combines the flame synthesis of catalyst nanoparticles and their deposition onto the membrane in one step. The properties of the synthesized nanoparticles, such as their Size Distribution Function (SDF), determine the manufactured electrodes’ performance, which can be evaluated when the deposition is complete via ex-situ characterization of the products. Efforts to improve RSDT for manufacturing state-of-the-art MEAs can be significantly enhanced with integrated laser diagnostics that enable in situ measurement of the synthesized catalyst nanoparticles. This paper reports the implementation of laser diagnostics in an RSDT facility and evaluates their potential to assist the manufacturing process. Laser Light Scattering (LS) and Laser-Induced Incandescence (LII) measurements are performed in the oxygen-rich zone of the flame at various distances from the flame fuel jet nozzle downstream of its luminous region. The measurements quantitatively track the evolution in size and volume fraction of platinum-based nanoparticles in two flames that yield different catalytic properties in the manufactured electrodes. The profiles of the measured nanoparticles’ volume fraction along the flame axis can be estimated a priori so that the average nanoparticle sizes can be measured in quasi-real time via LS. Nanoparticles experience an extremely slow growth rate while being convected at distances from 150 nm to 300 nm from the fuel nozzle. Complementary characterizations of the synthesized nanoparticles are performed ex-situ via High-Angle Annular Darkfield Scanning Transmission Electron Microscopy (HAADF-STEM) image analyses of samples collected on grids at a fixed distance from the fuel jet nozzle. Comparing the results from laser and microscopy techniques not only cross-validates the findings but also provides the parameters to infer the bimodal SDF in-situ and yields evidence that the coagulation efficiency of the synthesized nanoparticles has extremely low values in the investigated zone of the flames.

Rayleigh Light Scattering (LS)↗

DOE OSTI2024

Chemical bond reorganization in intramolecular proton transfer revealed by ultrafast X-ray photoelectron spectroscopy

Time-resolved X-ray photoelectron spectroscopy (TR-XPS) is used in a simulation study to monitor the excited state intramolecular proton transfer between oxygen and nitrogen atoms in 2-(iminomethyl)phenol. Real-time monitoring of the chemical bond breaking and forming processes is obtained through the time evolution of excited-state chemical shifts. By employing individual atomic probes of the proton donor and acceptor atoms, we predict distinct signals with opposite chemical shifts of the donor and acceptor groups during proton transfer. Details of the ultrafast bond breaking and forming dynamics are revealed by extending the classical electron spectroscopy chemical analysis to real time. Through a comparison with simulated time-resolved photoelectron spectroscopy at the valence level, the distinct advantage of TR-XPS is demonstrated thanks to its atom specificity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Group VII ethylene response factors forming distinct regulatory loops mediate submergence responses

Group VII ethylene response factors (ERFVIIs), whose stability is oxygen concentration-dependent, play key roles in regulating hypoxia response genes in Arabidopsis (Arabidopsis thaliana) and rice (Oryza sativa) during submergence. To understand the evolution of flooding tolerance in cereal crops, we evaluated whether Brachypodium distachyon ERFVII genes (BdERFVIIs) are related to submergence tolerance. We found that three BdERFVIIs, BdERF108, BdERF018, and BdERF961, form a feedback regulatory loop to mediate downstream responses. BdERF108 and BdERF018 activated the expression of BdERF961 and PHYTOGLOBIN 1 (PGB1), which promoted nitric oxide turnover and preserved ERFVII protein stability. The activation of PGB1 was subsequently counteracted by increased BdERF961 accumulation through negative feedback regulation. Interestingly, we found that OsERF67, the orthologue of BdERF961 in rice, activated PHYTOGLOBIN (OsHB2) expression and formed distinct regulatory loops during submergence. Overall, the divergent regulatory mechanisms exhibited by orthologs collectively offer perspectives for the development of submergence-tolerant crops.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1977

Star dust

Recent infrared techniques have revealed that the dust which is a major constituent of the universe, is composed of refractory grains produced by certain classes of stars, condensed in their atmospheres and blown into interstellar space by the radiation pressure of these stars. In some cases stars are surrounded by dust shells which consist of carbon refractories in the case of a carbon-rich environment, and metallic silicates of the kind that produced terrestrial planets in the case of oxygen-rich environments. A few of these infrared stars (called cygnids) exhibit a unique morphology that suggests the formation of a planetary stage in the evolution of a planetary nebula. Comets which are bright in the infrared and believed to be the remnants of the most primitive material in the solar nebula, are found to inject the astrophysical dust into our solar system together with asteroidal debris. Certain novae are also found to condense grains which are blown out in their shells after the explosion.

Ney, E. P.↗

NASA NTRS1981

Comets and the photochemistry of the paleoatmosphere

Ozone (O3) is a key atmospheric gas in considerations of the photochemistry/chemistry of the paleoatmosphere, chemical evolution, and the origin and evolution of life. The photochemistry/chemistry of atmospheric O3 in the paleoatmosphere is investigated using a one-dimensional photochemical model that includes the chemistry of oxygen, nitrogen, hydrogen, carbon, and chlorine gases. The role of cometary influx of H2O on the photochemistry of the paleoatmosphere is also examined. Recently, it has been suggested that the planet received a significant portion of the volatiles presently in the atmospheric/oceanic/biospheric system from cometary volatile influx. Several consequences of a cometary H2O influx on the photochemistry and structure of the paleoatmosphere are presented.

Levine, J. S.↗

NASA NTRS1986

Structural integrity and durability for Space Shuttle main engine and future reusable space propulsion systems

NASA is conducting a program which will establish a technology base for the orderly evolution of reusable space propulsion systems. As part of that program, NASA initiated a Structural Integrity and Durability effort for advanced high-pressure oxygen-hydrogen rocket engine technology. That effort focuses on the development of: (1) accurate analytical models to describe flow fields; aerothermodynamic loads; structural responses; and fatigue/fracture, from which life prediction codes can be evolved; and (2) advanced instrumentation with capabilities to verify the codes in an SSME-like environment as well as the potential for future use as diagnostic sensors for real-time condition monitoring of critical engine components.

Marsik, S. J.↗

NASA NTRS1986

Structural integrity and durability for Space Shuttle main engine and future reusable space propulsion systems

Marsik, S. J.↗

NASA NTRS1992

Workshop on Geology of the Apollo 17 Landing Site

The topics covered include the following: petrology, lithology, lunar rocks, lunar soil, geochemistry, lunar geology, lunar resources, oxygen production, ilmenite, volcanism, highlands, lunar maria, massifs, impact melts, breccias, lunar crust, Taurus-Littrow, minerals, site selection, regolith, glasses, geomorphology, basalts, tectonics, planetary evolution, anorthosite, titanium oxides, chemical composition, and the Sudbury-Serenitatis analogy.

Ryder, G.↗

NASA NTRS2012

Experimental Behavior of Sulfur Under Primitive Planetary Differentiation Processes, the Sulfide Formations in Enstatite Meteorites and Implications for Mercury.

Enstatite meteorites are the most reduced naturally-occuring materials of the solar system. The cubic monosulfide series with the general formula (Mg,Mn,Ca,Fe)S are common phases in these meteorite groups. The importance of such minerals, their formation, composition and textural relationships for understanding the genesis of enstatite chondrites (EC) and aubrites, has long been recognized (e.g. [1]). However, the mechanisms of formation of these sulfides is still not well constrained certainly because of possible multiple ways to produce them. We propose to simulate different models of formation in order to check their mineralogical, chemical and textural relevancies. The solubility of sulfur in silicate melts is of primary interest for planetary mantles, particularly for the Earth and Mercury. Indeed, these two planets could have formed, at least partly, from EC materials (e.g. [2, 3, 4]). The sulfur content in silicate melts depends on the melt composition but also on pressure (P), temperature (T) and oxygen fugacity fO2. Unfortunately, there is no model of general validity in a wide range of P-T-fO2-composition which describes precisely the evolution of sulfur content in silicate melts, even if the main trends are now known. The second goal of this study is to constrain the sulfur content in silicate melts under reducing conditions and different temperatures.

Malavergne, V.↗

NASA NTRS2017

Examining the Possibility of Carbon as a Light Element in the Core of Mercury

Results from the MErcury Surface, Space ENvironment, GEochemistry and Ranging (MESSENGER) spacecraft have shown elevated abundances of C on the surface of Mercury. Peplowski et al. used GRS data from MESSENGER to show an average northern hemisphere abundance of C on the planet of 0 to 4.1 wt% C at the three-sigma detection limit. Confirmation of C on the planet prompts many questions regarding the role of C during the differentiation and evolution of Mercury. The elevated abundances of both S and C on Mercury's surface, coupled with the low abundances of iron, suggest that the oxygen fugacity of the planet is several log10 units below the Iron-Wustite buffer. These observations spark questions about the bulk composition of Mercury's core. This experimental study seeks to understand the impact of C as a light element on potential mercurian core compositions. In order to address this question, experiments were conducted at 1 GPa and a variety of temperatures (700 - 1500 C) on metal compositions ranging from Si5Fe95 to Si22Fe78, possibly representative of the mercurian core. All starting metals were completely enclosed in a graphite capsule to ensure C saturation at a given set of run conditions. All elements, including C, were analyzed using electron probe microanalysis. Precautions were taken to ensure accurate measurements of C with this technique including using the LDE2 crystal, the cold finger on the microprobe to minimize contamination and increase the vacuum, and an instrument with no oil based pumps. Based on the superliquidus experimental results in the present study, as Fe-rich cores become more Si-rich, the C content of that core composition will decrease. Furthermore, although C concentration at graphite saturation (CCGS) varies from a liquid to a solid, temperature does not seem to play a substantial role in CCGS, at least at 1 GPa.

Vander Kaaden, Kathleen↗