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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Interactions between microbial diversity and substrate chemistry determine the fate of carbon in soil.

Microbial decomposition drives the transformation of plant-derived substrates into microbial products that form stable soil organic matter (SOM). Recent theories have posited that decomposition depends on an interaction between SOM chemistry with microbial diversity and resulting function. Here, we explicitly test these theories by coupling quantitative stable isotope probing and metabolomics to track the fate of 13C enriched substrates that vary in chemical composition as they are assimilated by microbes and transformed into new metabolic products in soil. We found that mycorrhizal-driven differences in forest nutrient economies (e.g., nutrient cycling, microbial competition) led to arbuscular mycorrhizal (AM) soils harboring greater micro8ial diversity than ectomycorrhizal (ECM) soils. When incubated with 13C enriched substrates, substrate type drove shifts in the identity of active decomposers and their metabolic products in the highly diverse AM soils. The decomposition pathways were more static in the less diverse, ECM soil. Importantly, the majority of these shifts were driven by taxa only present in the AM soil suggesting a strong link between microbial identity and specialized function. Collectively, these results highlight an important interaction between ecosystem-level processes and microbial diversity; whereby the identity and function of active decomposers impacts the composition of decomposition products that can form stable SOM.

Raczka, Nanette↗
DOE OSTI2021

Signal Origin of Electrochemical Strain Microscopy and Link to Local Chemical Distribution in Solid State Electrolytes

Electrochemical strain microscopy (ESM) is a distinguished method to characterize Li-ion mobility in energy materials with extremely high spatial resolution. The exact origin of the cantilever deflection when the technique is applied on solid state electrolytes (SSEs) is currently discussed in the literature. Under-standing local properties and influences on ion mobility in SSEs is of utmost importance to improve such materials for next generation batteries. Here, the exact signal formation process of ESM when applied on sodium super ionic conductor (NASICON)-type SSE containing Na- and Li-ions is investigated. Changes in the dielectric properties, which are linked to the local chemical composition, are found to be responsible for the observed contrast in the deflection of the cantilever instead of a physical volume change as a result of Vegard´s Law. The cantilever response is strongly reduced in areas of high sodium content which is attributed to a reduction of the tip-sample capacitance in comparison to areas with high lithium content. This is the first time a direct link between electrostatic forces in contact mode and local chemical information is demonstrated on SSEs. Furthermore, the results open up new possibilities in information gain since dielectric proper-ties are sensitive to subtle changes in local chemical composition.

36 MATERIALS SCIENCE↗
NASA NTRS1971

The production rate of Al/26/ from target elements in the Bruderheim chondrite.

A specimen of the Bruderheim chondrite was subjected to magnetic and heavy-liquid mineral separation procedures, resulting in a number of chemically distinct samples. These samples were analyzed for cosmogenic Al(26) by nondestructive gamma-gamma coincidence counting. The observed Al(26) specific activities were correlated with the chemical composition of potential target elements by a weighted least-squares fitting technique. The calculated Al(26) production rates from Al, Si, S, Mg, and Ca are presented. Most meteorite classes are shown to have a distribution of observed Al(26) vs calculated Al(26) primarily between 0.80 and 1.10, with the only exception of the eucrites. Two Apollo 12 samples, from mean depths of 15-20 cm, have approximately 0.78 of the Al(26) activities calculated for their chemical composition. A depletion in Al(26) in lunar samples shielded from solar radiation is in accord with a reduced cosmic-ray flux near the earth's orbit, relative to that experienced by most meteorites.

Cressy, P. J., Jr.↗
NASA NTRS1987

The nature of comets

The large-scale structure, dynamics, and chemical composition of comets are examined on the basis of preliminary ground-based and space-probe data from the Halley return of 1986. Diagrams, graphs, photographs, and false-color images are provided, and data on Comet Giacobini-Zinner are included for comparison. Features noted include solar-wind interaction with magnetic-field draping around the head region, dramatic disconnection events, an irregularly shaped monolithic primarily water-ice nucleus and a dark surface, and dust with chemical composition like that of (H, C, N, O)-enriched carbonaceous chondrites.

Brandt, J. C.↗
DOE OSTI2024

Soil Organic Matter Dynamics in the Critical Zone

Soil is the thin, vital layer of Earth’s surface that forms the foundation of the Critical Zone and sustains life. This chapter explores the intricate dynamics of soil organic matter within the critical zone, focusing on three key thematic areas: deep soil organic matter, wildfire organic matter interactions, and organic matter erosion. Soil organic matter, although a small fraction of soil mass, plays a crucial role in soil function and ecosystem stability. The complexity of soil organic matter arises from its diverse chemical composition and interactions with minerals, which influence its persistence in the environment. This chapter begins by examining deep soil organic matter, which constitutes a significant portion of global carbon storage. We discuss how deep soil organic matter, typically isolated from surface processes, may become vulnerable to decomposition and carbon release due to disturbances. Next, we explore the impacts of fire on soil organic matter, particularly the formation and stability of pyrolyzed organic matter. The decomposition of pyrolyzer organic matter is influenced by its chemical composition and the surrounding environmental conditions, with implications for carbon cycling and soil fertility in post-fire ecosystems. Finally, the chapter addresses the role of erosion in soil organic matter dynamics. Erosion, accelerated by human activities, redistributes soil organic matter across landscapes, affecting its turnover and the broader biogeochemical cycles. We consider how micro-topographic features and erosion processes interact to influence soil OM stability and carbon sequestration. By synthesizing recent advances in these areas, this chapter provides a comprehensive overview of the complex and dynamic nature of soil organic matter in the critical zone, highlighting its importance in understanding the critical zone in the face of environmental change.

Moreland, Kimber↗
DOE OSTI2023

Harvest and nitrogen effects on bioenergy feedstock quality of grass-legume mixtures on Conservation Reserve Program grasslands

Perennial grass mixtures established on Conservation Reserve Program (CRP) lands can be an important source of feedstock for bioenergy production. This study aimed to evaluate management practices for optimizing the quality of bioenergy feedstock and stand persistence of grass-legume mixtures under diverse environments. A 5-year field study (2008–2012) was conducted to assess the effects of two harvest timings (at anthesis vs after complete senescence) and three nitrogen (N) rates (0, 56, 112 kg N ha -1 ) on biomass chemical compositions (i.e., cell wall components, ash, volatiles, total carbon, and N contents) and the feedstock energy potential, examined by the theoretical ethanol yield (TEY) and the total TEY (i.e., the product of biomass yield and TEY, L ha -1 ), of cool-season mixtures in Georgia and Missouri and a warm-season mixture in Kansas. The canonical correlation analysis (CCA) was used to investigate the effect of vegetative species transitions on feedstock quality. Although environmental variations (mainly precipitation) greatly influenced the management effect on chemical compositions, the delayed harvest after senescence generally improved feedstock quality. In particular, the overall cell wall concentrations and TEY of the warm-season mixtures increased by approximately 7%. Additional N supplies improved the total TEY of both mixtures by ~1.6–4.2 L ha -1 per 1.0 kg N ha -1 input but likely lowered the feedstock quality, particularly for the cool-season mixture. The cell wall concentrations of cool-season mixture reduced by approximately 3%–6%. The CCA results indicated that the increased legume compositions (under low N input) likely enhanced lignin but reduced ash concentrations. This field research demonstrated that with proper management, grass-legume mixtures on CRP lands can provide high-quality feedstock for bioenergy productions.

09 BIOMASS FUELS↗
DOE OSTI2024

Characterization of MoS 2 films via simultaneous grazing incidence X-ray diffraction and grazing incidence X-ray fluorescence (GIXRD/GIXRF)

Physical vapor deposited (PVD) molybdenum disulfide (nominal composition MoS 2 ) is employed as a thin film solid lubricant for extreme environments where liquid lubricants are not viable. The tribological properties of MoS 2 are highly dependent on morphological attributes such as film thickness, orientation, crystallinity, film density, and stoichiometry. These structural characteristics are controlled by tuning the PVD process parameters, yet undesirable alterations in the structure often occur due to process variations between deposition runs. Nondestructive film diagnostics can enable improved yield and serve as a means of tuning a deposition process, thus enabling quality control and materials exploration. Grazing incidence X-ray diffraction (GIXRD) for MoS 2 film characterization provides valuable information about film density and grain orientation (texture). However, the determination of film stoichiometry can only be indirectly inferred via GIXRD. The combination of density and microstructure via GIXRD with chemical composition via grazing incidence X-ray fluorescence (GIXRF) enables the isolation and decoupling of film density, composition, and microstructure and their ultimate impact on film layer thickness, thereby improving coating thickness predictions via X-ray fluorescence. We have augmented an existing GIXRD instrument with an additional X-ray detector for the simultaneous measurement of energy-dispersive X-ray fluorescence spectra during the GIXRD analysis. This combined GIXRD/GIXRF analysis has proven synergetic for correlating chemical composition to the structural aspects of MoS 2 films provided by GIXRD. We present the usefulness of the combined diagnostic technique via exemplar MoS 2 film samples and provide a discussion regarding data extraction techniques of grazing angle series measurements.

MoS2↗
NASA NTRS1988

Microwave dielectric spectrum of rocks

A combination of several measurement techniques was used to investigate the dielectric properties of 80 rock samples in the microwave region. The real part of the dielectric constant, epsilon', was measured in 0.1 GHz steps from 0.5 to 18 GHz, and the imaginary part, epsilon'', was measured at five frequencies extending between 1.6 and 16 GHz. In addition to the dielectric measurements, the bulk density was measured for all the samples and the bulk chemical composition was determined for 56 of the samples. The study shows that epsilon' is frequency-dependent over the 0.5 to 18 GHz range for all rock samples, and that the bulk density rho accounts for about 50 percent of the observed variance of epsilon'. For individual rock types (by genesis), about 90 percent of the observed variance may be explained by the combination of density and the fractional contents of SiO2, Fe2O3, MgO, and TiO2. For the loss factor epsilon'', it was not possible to establish statistically significant relationships between it and the measured properties of the rock samples (density and chemical composition).

Ulaby, F. T.↗
NASA NTRS2006

The Role of CO2 in Aqueous Alteration of Ultra-Mafic Rocks and the Formation of MF-,FE-Rich Aqueous Solutons on Early Mars

An adequate understanding of water on Mars that moves beyond the simplistic "warmwet" vs. "cold-dry" dichotomy must include strong constraints on the variables: water/rock ratio, time, temperature, and chemical composition. By constraining these variables first on local, then regional and global scales we will be capable of precisely targeting landed missions to definitively understand the history of water on Mars and the possible existence of life. Data from remote sensing of Mars, landed missions, and martian meteorites indicate that secondary minerals formed from aqueous fluids on Mars are predominately Fe- and Mg-rich. The unique Mg-, Fe-rich carbonates in the ALH 84001 meteorite provide an excellent opportunity to provide strong constraints on an Fe-, Mg-rich aqueous system on early Mars. This work seeks to use the unusual chemical compositions of the ALH 84001 carbonates as a constraint for the composition of their formation fluid. These constraints can be used to better understand aqueous processes at a critical time in martian history.

Niles, Paul B.↗
DOE OSTI2020

Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight.

X-ray absorption near edge structure (XANES) spectroscopy is widely used for operando catalyst characterization. We show that, for highly fluxional supported nanoclusters, the customary extraction of the oxidation state of the metal from the XANES data by fitting to the bulk standards is highly questionable. The XANES signatures as well as the apparent oxidation state for such clusters arise from a complex combination of many factors, and not only from the chemical composition in reaction conditions (e.g., oxygen content in oxidizing atmosphere). The thermally accessible isomerization and population of several structurally distinct cluster forms, cluster-support interaction, and intrinsic size effects all impact the metal oxidation state and XANES signal. We demonstrate this on copper oxide clusters with different compositions, Cu4Ox(x = 2-5) and Cu5Oy (y = 3, 5), deposited on amorphous alumina and ultrananocrystalline diamond, for which we computed the XANES spectra and compare the results to the experiment. We show in addition that fitting the experimental spectrum to calculated spectra of supported clusters can, in contrast, provide good agreement and insight into the spectrum-composition-structure relation. Experimental XANES interpreted using the proposed fitting scheme shows the partial reduction of Cu oxide clusters at rising temperatures, and pinpoints the specific stoichiometries that dominate in the ensemble of cluster states as the temperature changes.

Zandkarimi, Borna↗
NASA NTRS2004

Chondrites and the Protoplanetary Disk, Part 3

Contents include the following: Ca-, Al-Rich Inclusions and Ameoboid Olivine Aggregates: What We Know and Don t Know About Their Origin. Aluminium-26 and Oxygen Isotopic Distributions of Ca-Al-rich Inclusions from Acfer 214 CH Chondrite. The Trapping Efficiency of Helium in Fullerene and Its Implicatiion to the Planetary Science. Constraints on the Origin of Chondritic Components from Oxygen Isotopic Compositions. Role of Planetary Impacts in Thermal Processing of Chondrite Materials. Formation of the Melilite Mantle of the Type B1 CAIs: Flash Heating or Transport? The Iodine-Xenon System in Outer and Inner Portions of Chondrules from the Unnamed Antarctic LL3 Chondrite. Nucleosynthesis of Short-lived Radioactivities in Massive Stars. The Two-Fluid Analysis of the Kelvin-Helmholtz Instability in the Dust Layer of a Protoplanetary Disk: A Possible Path to the Planetesimal Formation Through the Gravitational Instability. Shock-Wave Heating Model for Chonodrule Formation: Heating Rate and Cooling Rate Constraints. Glycine Amide Hydrolysis with Water and OH Radical: A Comparative DFT Study. Micron-sized Sample Preparation for AFM and SEM. AFM, FE-SEM and Optical Imaging of a Shocked L/LL Chondrite: Implications for Martensite Formation and Wave Propagation. Infrared Spectroscopy of Chondrites and Their Components: A Link Between Meteoritics and Astronomy? Mid-Infrared Spectroscopy of CAI and Their Mineral Components. The Origin of Iron Isotope Fractionation in Chondrules, CAIs and Matrix from Allende (CV3) and Chainpur (LL3) Chondrites. Protoplanetary Disk Evolution: Early Results from Spitzer. Kinetics of Evaporation-Condensation in a Melt-Solid System and Its Role on the Chemical Composition and Evolution of Chondrules. Oxygen Isotope Exchange Recorded Within Anorthite Single Crystal in Vigarano CAI: Evidence for Remelting by High Temperature Process in the Solar Nebula. Chondrule Forming Shock Waves in Solar Nebula by X-Ray Flares. Organic Globules with Anormalous Nitrogen Isotopic Compositions in the Tagish Lake Meteorite: Products of Primitive Organic Reactions. Yet Another Chondrule Formation Scenario. CAIs are Not Supernova Condensates. Microcrystals and Amorphous Material in Comets and Primitive Meteorites: Keys to Understanding Processes in the Early Solar System. A Nearby Supernova Injected Short-lived Radionuclides into Our Protoplanetary Disk. REE+Y Systematics in CC and UOC Chondrules. Meteoritic Constraints on Temperatures, Pressures, Cooling Rates, Chemical Compositions, and Modes of Condensation in the Solar Nebula. The I-Xe Record of Long Equilibration in Chondrules from the Unnamed Antarctic Meteorite L3/LL3. Early Stellar Evolution.

Source record↗
NASA NTRS1983

Preliminary discussion on the origin of Lei-gong-mo (tektites)

The specimens of lei-gong-mo (tektites) were collected from Hainan Island and Leizhow Peninsula during the period from 1963 to 1975. The distribution, forms, sculpture, abration surface (bald spot), internal structure and chemical composition of lei-gong-mo are discussed. Studies of these materials lead to the following conclusions: (1) the specimens of lei-gong-mo can be morphologically divided into eight types; (2) the sculptures on the surface of lei-gong-mo are probably due to the corrosion effect of volcanic gas, and the abration surface due to the aerodynamic corrosion; (3) the folded structures in the layered lei-gong-mo (Muong Nong-type tektite) seem hardly to be formed by an impact of meteorites, but they might be produced in the magma flow process when the lei-gong-mo was melting within the crater vent; and (4) the comparison of its chemical composition with that of basalt from Hainan Island does not show that lei-gong-mo came from the local volcano. The hypothesis of the lunar volcanic origin of tektites is examined.

Baoyin, Y.↗
NASA NTRS1999

Renal Stone Risk During Space Flight

Space flight produces a number of metabolic and physiological changes in the crewmembers exposed to microgravity. Following launch, body fluid volumes, electrolyte levels, and bone and muscle undergo changes as the human body adapts to the weightless environment. Changes in the urinary chemical composition may lead to the potentially serious consequences of renal stone formation. Previous data collected immediately after space flight indicate changes in the urine chemistry favoring an increased risk of calcium oxalate and uric acid stone formation (n = 323). During short term Shuttle space flights, the changes observed include increased urinary calcium and decreased urine volume, pH and citrate resulting in a greater risk for calcium oxalate and brushite stone formation (n = 6). Results from long duration Shuttle/Mir missions (n = 9) followed a similar trend and demonstrated decreased fluid intake and urine volume and increased urinary calcium resulting in a urinary environment saturated with the calcium stone-forming salts. The increased risk occurs rapidly upon exposure to microgravity, continues throughout the space flight and following landing. Dietary factors, especially fluid intake, or pharmacologic intervention can significantly influence the urinary chemical composition. Increasing fluid intake to produce a daily urine output of 2 liters/day may allow the excess salts in the urine to remain in solution, crystals formation will not occur and a renal stone will not develop. Results from long duration crewmembers (n = 2) who had urine volumes greater than 2.5 L/day minimized their risk of renal stone formation. Also, comparisons of stone-forming risk in short duration crewmembers clearly identified greater risk in those who produced less than 2 liters of urine/day. However, hydration and increased urine output does not correct the underlying calcium excretion due to bone loss and only treats the symptoms and not the cause of the increased urinary salts. Dietary modification and promising pharmacologic treatments may also be used to reduce the potential risk for renal stone formation. Potassium citrate is being used clinically to increase the urinary inhibitor levels to minimize the development of crystals and the growth of renal stones. Bisphosphonates are a class of drugs recently shown to help in patients with osteoporosis by inhibiting the loss of bones in elderly patients. This drug could potentially prevent the bone loss observed in astronauts and thereby minimize the increase in urinary calcium and reduce the risk for renal stone development. Results of NASA's renal stone risk assessment program clearly indicate that exposure to microgravity changes the urinary chemical environment such that there is an increased risk for supersaturation of stone-forming salts, including calcium oxalaie and brushite. These studies have indicated specific avenues for development of countermeasures for the increased renal stone risk observed during and following space flight. Increased hydration and implementation of pharmacologic countermeasures should largely mitigate the in-flight risk of renal stones.

Whitson, Peggy A.↗
DOE OSTI2026

Dependence of CCN closure relationship with organic fraction from two airborne field campaigns over mid-latitude land and ocean

This study investigates the relationship between measured and calculated cloud condensation nuclei (CCN) number concentration and its dependence with organic fraction utilizing aircraft observations from The Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA, 2017–2018) and The Holistic Interactions of Shallow Clouds, Aerosols, and Land Ecosystems (HI-SCALE, 2016) campaigns, which represent midlatitude marine and continental environments, respectively. For the ACE-ENA marine region, aerosol and CCN concentrations were significantly higher in summer than in winter, whereas at continental site for HI-SCALE, aerosol and CCN concentrations showed no pronounced differences between spring and autumn. Using aerosol chemical composition and number size distribution data, CCN concentrations at various supersaturations are calculated based on Köhler theory and then compared with observations from CCN counter. The results show that CCN closure performs well at both sites with a slight overestimation, with mean closure ratio (CR) of 1.13 and 1.17, respectively. Further investigation reveals that CR at lower supersaturation perform better than that at higher supersaturation. The dependence of CR on organic mass fraction (MForg) varies by environment: for marine aerosols, CR decreases with increasing organic fraction at lower supersaturations, whereas continental aerosols exhibit a consistent overestimation, with CR decreasing as organic fraction increases at higher supersaturations. This study provides key insights into CCN characteristics over midlatitude marine and continental environments, emphasizing the necessity of incorporating size-resolved chemical composition and mixing states into future model parameterizations, and contributing to a better understanding of aerosol–cloud interactions.

ACE-ENA field campaign↗
NASA NTRS2024

Future CH4 Budgets as Modelled By A Fully Coupled Earth System Model Using Prescribed GHG Concentrations vs. Interactive CH4 Sources and Sinks

We have used the NASA Goddard Institute for Space Studies (GISS) Earth system model GISS-E2.1 to study the future budgets and trends of global and regional CH4 under different emission scenarios. GISS-E2.1 is one of the few ESMs that can be driven by anthropogenic CH4 emissions, as well as interactive natural sources such as wetlands, and can simulate the tropospheric CH4 chemistry. In frame of the recent short-lived climate forcers (SLCFs) assessment by the Arctic Monitoring and Assessment Programme (AMAP), we used the GISS-E2.1 model with prescribed long-lived greenhouse gas (GHG) concentrations. In the present study, we have supplemented these simulations using the interactive CH4 sources and sinks in order to quantify the model performance and the sensitivity to CH4 sources and sinks. We have used the Current Legislation (CLE) and the Maximum Feasible Reduction (MFR) emission scenarios from the Eclipse V6b emission database to simulate the future chemical composition and climate impacts from 2015 to 2050. We have also simulated 1995-2014 in order to evaluate the model performance following the AMAP-SLCF protocol. The prescribed GHG version underestimates the Global Atmospheric Watch (GAW) surface CH4 observations during the period between 1995 and 2023 by 1% [-8.4%-2.0%], with a correlation (r) of 0.71 [-0.41 0.99]. The largest underestimations are over the continental emission regions such as North America, Europe, and Asia, while biases are smallest over oceans. On the other hand, the simulation with interactive sources and sinks underestimates the GAW observations more than the prescribed simulation, by 18.5% [-25% -10.4%], with a lower r of 0.36 [-0.82 0.93]. Opposite to the prescribed simulation, the biases are largest over oceans and smaller over the continents, however they are still larger over land than the prescribed simulation. The interactive simulation, with large sources virtually over land and strong sink over oceans, has a land/ocean ratio larger than 1 while the prescribed simulation has this ratio equal to 1 as it distributes the global prescribed CH4 concentration equally in longitude over a given latitude. This clearly shows that the interactive sources and sinks should be represented in models in order to realistically simulate the chemical composition and the oxidative capacity of the atmosphere. As expected, the MFR scenario simulates lower global surface CH4 concentrations and burdens compared to the CLE scenario, however in both cases, global surface CH4 and burden continue to increase through 2050 compared to present day. In the CLE scenario, increases are largest over the equatorial belt, in particular over India and East China, while the MFR scenario shows increases over the whole Southern Hemisphere, however much smaller compared to CLE. Finally, the interactive simulation shows that the chemical CH4 sink increases in the CLE scenario, while it slightly decreases in the MFR, leading to a larger CH4 lifetime in the MFR scenario compared to in the CLE scenario.

CH4↗
DOE OSTI2020

Synthesis, Crystal Structure, and Cooperative 3d–5d Magnetism in Rock Salt Type Li 4 NiOsO 6 and Li 3 Ni 2 OsO 6

Two new transition metal oxides with the nominal chemical compositions of Li 4 NiOsO 6 and Li 3 Ni 2 OsO 6 were successfully synthesized. Both compounds crystallize in an ordered rock salt structure type in the monoclinic C2/m space group. The crystal structures were determined using both synchrotron X-ray and time-of-flight neutron, powder diffraction data. In both phases, Ni2+ ions are present while oxidation states of osmium are +6 and +5 in Li 4 NiOsO 6 and Li 3 Ni 2 OsO 6 , respectively. Ni2+ ions in the hypothetical fully ordered phase form a honeycomb arrangement in the ab crystallographic plane and these hexagons are centered by osmium ions. Furthermore, the magnetic layers are separated along the c axis by the octahedra, which are centered by Li+ (or Li+/Ni 2+ , depending on the chemical compositions). Crystal structure refinements reveal that there is some degree of mixed occupancy in cationic positions. Temperature dependent magnetic susceptibility data for both phases show ferrimagnetic transitions with predominant antiferromagnetic (AFM) interactions among 3d electrons of nickel and Sd electrons of osmium. Iso-thermal magnetization loops as a function of the applied magnetic field below the transition temperatures confirm the ferrimagnetic nature in magnetic transitions. Temperature dependent heat capacity data, however, did not exhibit any anomaly in either phase, indicating the absence of long-range magnetic ordering. The lack of long-range order for both Os 5+ and Os 6+ -based compounds was also confirmed by low temperature neutron diffraction data down to 10 K. Temperature dependent AC magnetic susceptibility data in various frequencies for both samples indicate that Li 4 NiOsO 6 exhibits spin-glass-like behavior, while the transition temperature for Li 3 Ni 2 OsO 6 is nearly frequency independent.

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

Estimation of secondary organic aerosol viscosity from explicit modeling of gas-phase oxidation of isoprene and α -pinene

Abstract. Secondary organic aerosols (SOA) are major components of atmospheric fine particulate matter, affecting climate and air quality. Mounting evidence exists that SOA can adopt glassy and viscous semisolid states, impacting formation and partitioning of SOA. In this study, we apply the GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere) model to conduct explicit chemical modeling of isoprene photooxidation and α-pinene ozonolysis and their subsequent SOA formation. The detailed gas-phase chemical schemes from GECKO-A are implemented into a box model and coupled to our recently developed glass transition temperature parameterizations, allowing us to predict SOA viscosity. The effects of chemical composition, relative humidity, mass loadings and mass accommodation on particle viscosity are investigated in comparison with measurements of SOA viscosity. The simulated viscosity of isoprene SOA agrees well with viscosity measurements as a function of relative humidity, while the model underestimates viscosity of α-pinene SOA by a few orders of magnitude. This difference may be due to missing processes in the model, including autoxidation and particle-phase reactions, leading to the formation of high-molar-mass compounds that would increase particle viscosity. Additional simulations imply that kinetic limitations of bulk diffusion and reduction in mass accommodation coefficient may play a role in enhancing particle viscosity by suppressing condensation of semi-volatile compounds. The developed model is a useful tool for analysis and investigation of the interplay among gas-phase reactions, particle chemical composition and SOA phase state.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1993

Alkali-granitoids as fragments within the ordinary chondrite Adzhi-Bogdo: Evidence for highly fractionated, alkali-granitic liquids on asteroids

Adzhi-Bogdo is an ordinary chondrite regolith breccia (LL3-6) that fell October 30, 1949 in Gobi Altay, Mongolia. The rock consists of submm- to cm-sized fragments embedded in a fine-grained elastic matrix. The breccia contains various types of clasts, some of which must be of foreign heritage. Based on chemical compositions of olivine some components have to be classified as L-type. Components of the breccia include chondrules, impact melts (some are K-rich, similar to those found in other LL-chondrites, highly recrystalized rock fragments ('granulites'), pyroxene-rich fragments with achondritic textures, and alkali-granitoidal fragments that mainly consist of K-feldspar and quartz or tridymite. Probably, this is the first report on granitoids from asteroids. It can be ruled out that these fragments represent huge rock assemblages of the parent body like granites do on Earth. Therefore, to avoid misunderstandings, these rocks will be designated as granitoids. In one thin section four granitoids were observed. The main phases within these clasts are K-feldspar and SiO2-phases. Minor phases include albite, Cl-apatite, whitlockite, ilmenite, zircon, Ca-poor pyroxene, and an unidentified Na,Ti-bearing silicate. Based on chemical composition and on optical properties quartz appears to be the SiO2-phase in two fragments, whereas tridymite seems to occur in the other two. The calculated formula of the unknown Na,Ti-rich silicate is very close to (Na,Ca)2.7(Fe,Mg)6(Ti)1.3(Si)7(O)24. Quartz and K-feldspar can reach sizes of up to 700 microns. Thus, the fragments can be described as coarse-grained (by chondritic standards). This is especially the case considering that quartz and K-feldspar are very rare minerals in ordinary chondrites. Representative analyses of minerals from some granitoidal clasts are given. Based on the mineral compositions and the modal abundances the bulk compositions were calculated. Besides these granitoidal rocks, pyroxene-rich fragments occur that show exsolution textures that are similar to those found in eucrites.

Bischoff, A.↗