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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Defect-Driven Oxide Transformations and the Electrochemical Interphase

The redox reaction pathway is crucial to the sustainable production of the fuels and chemicals required for a carbon-neutral society. Our society is becoming increasingly dependent on devices using batteries and electrolyzers, all of which rely on a series of redox reactions. The overall properties of oxide materials make them very well suited for such electrochemical and catalytic applications due to their associated cationic redox properties and the static site-adsorbate interactions. As these technologies have matured, it has become apparent that defect-driven redox reactions, defect-coupled diffusion, and structural transformations that are both time- and rate-dependent are also critical materials processes. This change in focus, considering not only redox properties but also more complex, dynamic behaviors, represents a new research frontier in the molecular sciences as they are strongly linked to device operation and degradation and lie at the heart of various phenomena that take place at electrochemical interfaces. Fundamental studies of the structural, electronic, and chemical transformation mechanisms are key to the advancement of materials and technological innovations that could be implemented in various electrochemical systems. In this Account, we focus on recent studies and advances in characterizing and understanding the dynamic redox evolution and structural transformations that take place in model perovskites and layered oxides under reactive conditions and correlate them with degradation mechanisms and operations in electrolyzers and batteries. We show that the dynamic evolution of oxygen vacancies and cationic migration in the surface or bulk occurs at the solid-liquid interface, using a combination of different synchrotron-based Xray spectroscopies and scattering probes. Detailed redox-structure-reactivity correlation studies show how defects and diffusion processes can be tailored to drive various physical and chemical transformations in electrolyzers and batteries. We also highlight a strong correlation between oxygen redox reactivity and structural reorganization in both model thin films and particles, helping to bridge the gap between fundamental studies of the reaction mechanism and device applications. Finally, on the basis of these findings, we discuss strategies to probe and tune the redox reactivity and structural stability of the redox-active oxide interphase toward devising efficient pathways for energy and chemical harvesting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Analysis of Hydrodynamic (Landau) Instability in Liquid-Propellant Combustion at Normal and Reduced Gravity

The burning of liquid propellants is a fundamental combustion problem that is applicable to various types of propulsion and energetic systems. The deflagration process is often rather complex, with vaporization and pyrolysis occurring at the liquid/gas interface and distributed combustion occurring either in the gas phase or in a spray. Nonetheless, there are realistic limiting cases in which combustion may be approximated by an overall reaction at the liquid/gas interface. In one such limit, the gas flame occurs under near-breakaway conditions, exerting little thermal or hydrodynamic influence on the burning propellant. In another such limit, distributed combustion occurs in an intrusive regime, the reaction zone lying closer to the liquid/gas interface than the length scale of any disturbance of interest. Finally, the liquid propellant may simply undergo exothermic decomposition at the surface without any significant distributed combustion, such as appears to occur in some types of HydroxylAmmonium Nitrate (HAN)-based liquid propellants at low pressures. Such limiting models have recently been formulated,thereby significantly generalizing earlier classical models that were originally introduced to study the hydrodynamic stability of a reactive liquid/gas interface. In all of these investigations, gravity appears explicitly and plays a significant role, along with surface tension, viscosity, and, in the more recent models, certain reaction-rate parameters associated with the pressure and temperature sensitivities of the reaction itself. In particular, these parameters determine the stability of the deflagration with respect to not only classical hydrodynamic disturbances, but also with respect to reactive/diffusive influences as well. Indeed, the inverse Froude number, representing the ratio of buoyant to inertial forces, appears explicitly in all of these models, and consequently, in the dispersion relation that determines the neutral stability boundaries beyond which steady, planar burning is unstable to nonsteady, and/or nonplanar (cellular) modes of burning. These instabilities thus lead to a number of interesting phenomena, such as the sloshing type of waves that have been observed in mixtures of HAN and TriEthanolAmmonium Nitrate (TEAN) with water. Although the Froude number was treated as an O(1) quantity in these studies, the limit of small inverse Froude number corresponding to the microgravity regime is increasingly of interest and can be treated explicitly, leading to various limiting forms of the models, the neutral stability boundaries, and, ultimately, the evolution equations that govern the nonlinear dynamics of the propagating reaction front. In the present work, we formally exploit this limiting parameter regime to compare some of the features of hydrodynamic instability of liquid-propellant combustion at reduced gravity with the same phenomenon at normal gravity.

Margolis, Stephen B.↗
NASA NTRS1972

Vacuum measurements on the lunar surface.

Results of measurements of neutral gas pressure on the lunar surface made with a cold cathode ionization gauge carried to the moon by Apollo 14. The vacuum quality at the landing site is much influenced by the adsorption of rocket gases and their later release. During surface operations by the astronauts, the pressure was near 10 to the minus 8th torr. No data were obtained between the time of the surface operations and lunar sunset about 12 days later, at which time the temperature fell rapidly to the vicinity of 100 K. The pressure was about 10 to the minus 12th torr shortly after sunset, but intermittent releases of gas, perhaps from within the moon itself, occasionally raised the pressure by less than an order of magnitude for as long as a day or two at a time and on one occasion to about 10 to the minus 10th torr for about an hour. At lunar sunrise, as the surface was warmed rapidly to about 300 K, the pressure rose rapidly to about 10 to the minus 10th torr, most likely due to the release of absorbed gases in the immediate landing area or on the landing module itself. For comparison with interplanetary vacuum conditions, the directed pressure of the solar wind is usually less than 10 to the minus 11th torr and the pressure of random gas motion within the solar wind, less than 10 to the minus 13th torr.

Johnson, F. S.↗
DOE OSTI2022

Triple Emission of 5'-( para -R-Phenylene)vinylene-2-(2'-hydroxyphenyl)benzoxazole (PVHBO). Part I: Dual Emission from the Neutral Species

The effects of 5'-(para-R-phenylene)vinylene (PV) substituents on the emission properties of 2-(2'-hydroxyphenyl)benzoxazole (HBO) are analyzed using steady-state and time-resolved absorption and emission spectroscopies in addition to quantum chemical calculations. All members in the series of PVHBOs are capable of excited-state intramolecular proton transfer (ESIPT) with a solvent sensitivity that is typical of a HBO derivative to produce a normal (aka enol) emission and an excited-state tautomer (aka keto) emission. These two emission bands of the neutral dyes are discussed in the current paper. The intermolecular proton transfer, i.e., the deprotonation, of a PVHBO results in the third band of the triple emission, which is described in the succeeding paper. The placement of an electron-withdrawing substituent R on the PVHBO scaffold increases the intensity of the keto emission relative to the enol emission in hydrogen-bonding solvents. The R substituents do not significantly alter the wavelengths of the enol and keto emission bands, which are located in the blue and green regions, respectively, of the visible spectrum. The ultrafast time-resolved spectroscopies and quantum chemical calculations offer explanations on how the R group and the solvent affect the enol and keto emission properties (i.e., wavelength, lifetime, fluorescence quantum yield, and relative ratio of their emissions). Here, the key findings include the following: (1) the emission energies of both enol and keto forms are not sensitively dependent on the R substituent and (2) the solvent-engaged enol excited state is quenched more efficiently as the R substituent becomes more electron-withdrawing. A PVHBO acts as a fusion of HBO and stilbenoid that intersect at the hydroxyphenyl moiety. Depending on the solvent and other environmental conditions, PVHBOs may exhibit the ESIPT property of HBO or the substituent-dependent emission of stilbenoid. This paper and the succeeding article provide a photophysical model of PVHBOs to explain the wavelengths and relative abundances of the three emission bands (enol, keto, and anion) that these compounds are able to produce. Judicial selection of the environmental factors may drive the emission of a PVHBO into the spectral regions of blue, green, and, in a couple of cases, orange or red.

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

Actinomycetota isolated from the sponge Hymeniacidon perlevis as a source of novel compounds with pharmacological applications: diversity, bioactivity screening, and metabolomic analysis

Abstract Aims To combat health conditions, such as multi-resistant bacterial infections, cancer, and metabolic diseases, new drugs need to be urgently found and, in this respect, marine Actinomycetota have a high potential to produce secondary metabolites with pharmacological importance. We aimed to study the cultivable Actinomycetota community associated with a marine sponge from the Portuguese coast, Hymeniacidon perlevis, and investigate the potential of the retrieved isolates to produce compounds with antimicrobial, anticancer and anti-obesity properties. Methods and results The analysis of the 16S rRNA gene revealed 79 Actinomycetota isolates affiliated with 12 genera—Brachybacterium, Dietzia, Glutamicibacter, Gordonia, Micrococcus, Micromonospora, Nocardia, Nocardiopsis, Paenoartrhobacter, Rhodococcus, Streptomyces, and Tsukamurella, most of which affiliated with the genus Streptomyces. The screening of antimicrobial activity revealed 13 strains, all belonging to the Streptomyces genus, capable of inhibiting the growth of Candida albicans, Bacillus subtilis, or Staphylococcus aureus. Forty-three extracts exhibited cytotoxic activity against at least one tested cell line (HepG2, HCT-116, and hCMEC-D3). Three extracts that were active against the two cancer cell lines tested, did not reduce the viability of the non-cancer endothelial cell line, hCMEC-D3. One Gordonia strain exhibited anti-obesity activity, revealed by its ability to reduce the neutral lipids in zebrafish larvae. Mass spectrometry-based dereplication analysis of active extracts identified several compounds associated with known Actinomycetota natural products. Nonetheless, five clusters contained metabolites that did not match any annotated natural products, suggesting they may represent new bioactive molecules. Conclusions This work contributed to increase the knowledge on the diversity and bioactive potential of Actinomycetota associated with H. perlevis.

Fonseca, Ana C.↗
NASA NTRS2014

Global Investigation of the Mg Atom and ion Layers using SCIAMACHY/Envisat Observations between 70 km and 150 km Altitude and WACCM-MG Model Results

Mg and Mg+ concentration fields in the upper mesosphere/lower thermosphere (UMLT) region are retrieved from SCIAMACHY/Envisat limb measurements of Mg and Mg+ dayglow emissions using a 2-D tomographic retrieval approach. The time series of monthly means of Mg and Mg+ for number density as well as vertical column density in different latitudinal regions are shown. Data from the limb mesosphere-thermosphere mode of SCIAMACHY/Envisat are used, which covers the 50 km to 150 km altitude region with a vertical sampling of 3.3 km and a highest latitude of 82 deg. The high latitudes are not covered in the winter months, because there is no dayglow emission during polar night. The measurements were performed every 14 days from mid-2008 until April 2012. Mg profiles show a peak at around 90 km altitude with a density between 750 cm(exp−3) and 2000 cm(exp−3). Mg does not show strong seasonal variation at mid-latitudes. The Mg+ peak occurs 5-15 km above the neutral Mg peak at 95-105 km. Furthermore, the ions show a significant seasonal cycle with a summer maximum in both hemispheres at mid- and high-latitudes. The strongest seasonal variations of the ions are observed at mid-latitudes between 20-40 deg and densities at the peak altitude range from 500 cm(exp−3) to 6000 cm(exp−3). The peak altitude of the ions shows a latitudinal dependence with a maximum at mid-latitudes that is up to 10 km higher than the peak altitude at the equator. The SCIAMACHY measurements are compared to other measurements and WACCM model results. In contrast to the SCIAMACHY results, the WACCM results show a strong seasonal variability for Mg with a winter maximum, which is not observable by SCIAMACHY, and globally higher peak densities. Although the peak densities do not agree the vertical column densities agree, since SCIAMACHY results show a wider vertical profile. The agreement of SCIAMACHY and WACCM results is much better for Mg+, showing the same seasonality and similar peak densities. However, there are the following minor differences: there is no latitudinal dependence of the peak altitude for WACCM and the density maximum, passing the equatorial region during equinox conditions, is not reduced as for SCIAMACHY.

SCIAMACHYEnvisat↗
DOE OSTI2021

Arabidopsis thaliana EARLY RESPONSIVE TO DEHYDRATION 7 Localizes to Lipid Droplets via Its Senescence Domain

Lipid droplets (LDs) are neutral-lipid-containing organelles found in all kingdoms of life and are coated with proteins that carry out a vast array of functions. Compared to mammals and yeast, relatively few LD proteins have been identified in plants, particularly those associated with LDs in vegetative (non-seed) cell types. Thus, to better understand the cellular roles of LDs in plants, a more comprehensive inventory and characterization of LD proteins is required. Here, we performed a proteomics analysis of LDs isolated from drought-stressed Arabidopsis leaves and identified EARLY RESPONSIVE TO DEHYDRATION 7 (ERD7) as a putative LD protein. mCherry-tagged ERD7 localized to both LDs and the cytosol when ectopically expressed in plant cells, and the protein’s C-terminal senescence domain (SD) was both necessary and sufficient for LD targeting. Phylogenetic analysis revealed that ERD7 belongs to a six-member family in Arabidopsis that, along with homologs in other plant species, is separated into two distinct subfamilies. Notably, the SDs of proteins from each subfamily conferred targeting to either LDs or mitochondria. Further, the SD from the ERD7 homolog in humans, spartin, localized to LDs in plant cells, similar to its localization in mammals; although, in mammalian cells, spartin also conditionally localizes to other subcellular compartments, including mitochondria. Disruption of ERD7 gene expression in Arabidopsis revealed no obvious changes in LD numbers or morphology under normal growth conditions, although this does not preclude a role for ERD7 in stress-induced LD dynamics. Consistent with this possibility, a yeast two-hybrid screen using ERD7 as bait identified numerous proteins involved in stress responses, including some that have been identified in other LD proteomes. Collectively, these observations provide new insight to ERD7 and the SD-containing family of proteins in plants and suggest that ERD7 may be involved in functional aspects of plant stress response that also include localization to the LD surface.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

Evaluating the Adsorptive Capabilites of Chemsorb 1000 and Chemsorb 1425

The removal of trace contaminants from spacecraft cabin air is necessary for crew health and comfort during long duration space exploration missions. The air revitalization technologies used in these future exploration missions will evolve from current ISS ISS State-of-Art (SOA) and is being designed and tested by the Advanced Exploration Systems (AES) Program's Atmosphere Resource Recovery and Environmental Monitoring (ARREM) project. The ARREM project is working to mature optimum atmosphere revitalization and environmental monitoring system architectures to enable exploration beyond Lower Earth Orbit (LEO). The Air Revitalization Lab at KSC is one of six NASA field centers participating in the ARREM that specializes in adsorbent and catalyst characterization with simulated spacecraft gas streams using combinations of pressure, O2 partial pressure, CO2 partial pressure, and humidity that are representative of a range of anticipated cabin atmospheric conditions and loads. On board ISS, the Trace Contaminant Control Subassembly (TCCS) provides active control of trace contaminants from the cabin atmosphere utilizing physical adsorption, thermal catalytic oxidation, and chemical adsorption processes. High molecular weight contaminants and ammonia (NH3) are removed a granular activated carbon treated with approx. 10% by weight phosphoric acid (H3PO4) (B-S Type 3032 4×6 mesh), which is expendable and is periodically refurbished. The Type 3032 granular activated carbon bed is no longer commercially available and therefore it is important to characterize the efficiency and capacity of commercially available NH3 sorbents. This paper describes the characterization of two Molecular Products LTD activated carbons: Chemsorb 1000 and Chemsorb 1425. Untreated activated carbons (e.g. Chemsorb 1000) remove contaminants by physisorption, which concentrates the contaminant within the pores of the carbon while letting air to pass through the sorbent4. Low molecular weight or polar gases (e.g. HCl, SO2, formaldehyde, and NH3) are not removed by physisorption and typically require chemisorption for removal. Treated activated carbons (e.g. Chemsorb 1425) are impregnated with a a chemical agent (e.g. phosphoric acid) that reacts with those gases, converting them to solids or salts within the carbon and removes them from the air stream. This process occurs via neutralization or catalysis reactions and adsorption capacity is exhaustedwhen the available impregnated chemicals are consumed. Moisture affects removal performance since adsorption sites within the pores are filled with water. The performance of impregnated carbons may be enhanced by moisture content because the mechanisms of contaminant removal are chemical reactions that occur in reagents contained within the pores. The adsorptive capacity data (mol/kg) of Chemsorb 1000 and 1425 for gas mixtures (ethanol, acetone, toluene, acetaldehyde, dichloromethane, and xylene) was measured with 40% relative humidity at 23 deg C air temperature. The adsorptive capacity data (mol/kg) of Chemsorb 1425 was measured using NH3 gas streams.

adsorptive capacities↗
DOE OSTI2023

Natural Gas Community of the Future (Final Report)

Nicor Gas, a subsidiary of Southern Company Gas and its parent company Southern Company, is developing the concept of the Carbon-neutral, Affordable, Resilient, and Equitable Community ("CARE Community") to address the challenges of accessibility and affordability of grid-interactive efficient buildings in historically disadvantaged communities. The CARE Community is a new construction net-zero energy and carbon neutral residential neighborhood consisting of 50 homes with electricity and natural gas services in South Suburban Chicago, built as low-income affordable housing. The National Renewable Energy Laboratory (NREL) is assisting Southern Company to explore how energy efficiency, renewable technologies, and the reliability and resilience of natural gas can be combined and optimized in an islandable energy system as part of a broader effort to understand the role natural gas plays in future communities integrated with renewable energy and improved energy efficiency. The CARE Community will demonstrate how energy efficiency, distributed energy resources (DERs), and advanced controls can be combined with existing natural gas infrastructure to serve historically disadvantaged communities in a cold climate with low energy cost for affordable housing programs and enhanced resilience to withstand extreme weather. Homes will be a part of an islandable energy system, integrating multiple DER technologies such as solar panels, natural gas fuel cells, reciprocating natural gas engines, and battery storage. The CARE Community will provide a replicable template that affordable housing developers and energy companies can adopt throughout the United States. In this report, we present the design and modeling of the community and potential approaches for integrating DERs. We analyze and discuss annual simulations under normal operating conditions and week-long simulations under electric power grid outage conditions.

03 NATURAL GAS↗
NASA NTRS1994

Carbon recombination lines as a diagnostic of photodissociation regions

We have observed the C91 alpha radio recombination line toward the Orion H II region. This narrow (approximately 3-5 km per sec full width at half maximum (FWHM)) line is spatially very extended (approximately 8 arcmin or 1 pc). These charateristics compare well with the observed characteristics of the C II fine structure line at 158 microns. Thus, the C91 alpha line originates in the predominantly neutral photodissociation regions separating the H II region from the molecular cloud. We have developed theoretical models for the C II radio recombination lines from photodissociation regions. The results show that the I(C91 alpha)/I(C158) intensity ratio is a sensitive function of the temperature and density of the emitting gas. We have also extended theoretical models for photodissociation regions to include the C II recombination lines. Comparison with these models show that, in the central portion of the Orion region, the C91 alpha line originates in dense (10(exp 6) per cu cm), warm (500-1000 K) gas. Even at large projected distances (approximately 1 pc), the inferred density is still high (10(exp 5) per cu cm) and implies extremely high thermal pressures. As in the case of the (C II) 158 microns line, the large extent of the C91 alpha line shows that (FUV) photons can penetrate to large distances from the illuminating source. The decline of the intensity of the incident radiation field with distance from Theta(sup 1) C seems to be dominated by geometrical dilution, rather than dust extinction. Finally, we have used our models to calculate the intensity of the 9850 A recombination line of C II. The physical conditions inferred from this line are in good agreement with those determined from the radio recombination and the far-infrared fine-structure lines. We show that the ratio of the 9850 A to the C91 alpha lines is a very good probe of very high density clumps.

Natta, A.↗
DOE OSTI2023

Variations in boundary layer stability across Antarctica: a comparison between coastal and interior sites

The range of boundary layer stability profiles, from the surface to 500 m a.g.l. (above ground level), present in radiosonde observations from two continental-interior (South Pole Station and Dome Concordia Station) and three coastal (McMurdo Station, Georg von Neumayer Station III, and Syowa Station) Antarctic sites, is examined using the self-organizing maps (SOMs) neural network algorithm. A wide range of potential temperature profiles is revealed, from shallow boundary layers with strong near-surface stability to deeper boundary layers with weaker or near-neutral stability, as well as profiles with weaker near-surface stability and enhanced stability aloft, above the boundary layer. Boundary layer regimes were defined based on the range of profiles revealed by the SOM analysis; 20 boundary layer regimes were identified to account for differences in stability near the surface as well as above the boundary layer. Strong, very strong, or extremely strong stability, with vertical potential temperature gradients of 5 to in excess of 30 K per 100 m, occurred more than 80 % of the time at South Pole and Dome Concordia in the winter. Weaker stability was found in the winter at the coastal sites, with moderate and strong stability (vertical potential temperature gradients of 1.75 to 15 K per 100 m) occurring 70 % to 85 % of the time. Even in the summer, moderate and strong stability is found across all five sites, either immediately near the surface or aloft, just above the boundary layer. While the mean boundary layer height at the continental-interior sites was found to be approximately 50 m, the mean boundary layer height at the coastal sites was deeper, around 110 m. Further, a commonly described two-stability-regime system in the Arctic associated with clear or cloudy conditions was applied to the 20 boundary layer regimes identified in this study to understand if the two-regime behavior is also observed in the Antarctic. It was found that moderate and strong stability occur more often with clear- than cloudy-sky conditions, but weaker stability regimes occur almost equally for clear and cloudy conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Ternary Complexes of BiI 3 /CuI and SbI 3 /CuI with Tetrahydrothiophene

Reactions of BiI 3 /CuI mixtures with tetrahydrothiophene (THT) in toluene produce 2-D sheet networks BiCu 3 I 6 (THT) n (n = 2, 3, or 4), depending on reaction conditions. All three structures are based on BiI 6 octahedra, which share pairs of (μ 2 -I) 2 with Cu 3 (THT) n units. BiCu 3 I 6 (THT) 2 features Cu 2 (μ 2 -I) 2 rhombs with close Cu···Cu interactions and is accompanied by formation of the very complex HBi 3 Cu 12 I 22 (THT) 8 . Reactions of SbI 3 /CuI with THT in toluene produced a SbCu 3 I 6 (THT) 2 network shows Cu 3 (μ 2 -THT) 2 units, like its Bi congener, but Cu 6 (μ 2 -I) 6 barrels rather than rhombs. Isolated SbI 3 units are stacked above the Cu 6 I 6 barrels. A molecular compound, Sb 3 Cu 3 I 12 (THT) 6 consists of a face-sharing Sb 3 I 12 stack, in which the Cu-THT units are bonded in asymmetric fashion about the central SbI 6 . Metal-halide bonds were investigated via QTAIM and NLMO analyses, demonstrating that these bonds are largely ionic and occur between the Bi/Sb and I p orbitals. Hirshfeld analysis shows significant H···H and H···I interactions. Diffuse reflectance spectroscopy (DRS) reveals band edges for the Bi species of 1.71–1.82 eV, while those for the neutral Sb complexes are in the range of 1.94–2.06 eV. Mapping of the electronic structure via density of state calculations indicates population of antibonding Bi/Sb–I orbitals in the excited state.

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

Experimental Setup to Investigate Hydrogen Isotope Retention on Powder Samples as Slag/Dust Proxies for Advanced Fusion Reactors

Slag/dust formation is one of the critical issues regarding tritium retention in advanced fusion reactors. We upgraded an ultrahigh vacuum device, the sample exposure station (SES), to perform temperature-programmed desorption (TPD), also known as thermal desorption spectroscopy, to investigate deuterium (D) retention in powder samples that are utilized as proxies for slag/dust particles formed in fusion reactors. TPD analysis, calibrated for the desorption rate, was successfully performed on commercially available crystalline/amorphous boron (B) powder after D 2 neutral gas or D + ion exposure. We calibrated the B powder temperature measurement for TPD analysis utilizing a D 2 desorption peak from B-D bonding known for its desorption temperature ~700 K. We introduce a separation procedure of observed D TPD signals, convoluted for corresponding D retention pathways, that was necessary for TPD analysis. This is the first report on the retention of D 2 neutral gas to B, and this observation was enabled by utilizing the B powder sample, which has a larger surface area than films commonly used in laboratory experiments. In conclusion, the upgraded SES system will enable us to investigate hydrogen isotope behaviors for powder/dust samples of various elemental compositions, including metals.

Plasma-facing component debris↗
DOE OSTI2021

Production, fuel properties and combustion testing of an iso-olefins blendstock for modern vehicles

With the increasing pressure to decarbonize the transportation sector, exploring strategies that can reduce emissions from light-duty vehicles (LDV) has become critical. Bioblendstocks that allow for higher engine efficiency and fuel economy could complement vehicle electrification and help reach carbon neutrality by 2050. In this context, the potential of a mixture of iso-olefins as a bioblendstock was investigated for multimode boosted spark-ignition (SI)/advanced compression ignition (ACI) engine operation designed to achieve higher overall vehicle fuel economy. By establishing the relationship between the molecular structure of iso-olefins and research octane number (RON), octane sensitivity (S) (i.e., the difference between RON and motor octane number [MON]), and phi-sensitivity a dimethyl-hexenes rich olefins mixture (DMHROM) was identified as a preferred blendstock for SI/ACI combustion engines. Here, a pathway for DMHROM production from biomass-derived ethanol was developed and scaled up. More than 1 gallon of DMHROM blendstock was produced for fuel properties assessment including engine testing. Measurements in a Cooperative Fuel Research Engine showed that the DMHROM blendstock possesses a RON of 94 and S of 13.5, and blends synergistically. Rapid compression machine tests coupled with single-cylinder gasoline direct injection engine measurements demonstrated the 20 vol.% DMHROM blend has higher phi-sensitivity than an olefin-free gasoline base fuel and a typical California Reformulated Gasoline Blendstock for Oxygenate Blending (CARBOB) gasoline fuel. These results demonstrate the potential of DMHROM for improving gasoline fuel performance and quality for operation under ACI conditions. The effectiveness of the aftertreatment system in mitigating emissions was verified and showed that the pure DMHROM blendstock and 20 vol.% blend would not increase non-methane organic gases, NO x , and carbon monoxide (CO) emissions. The DMHROM blendstock was found to slightly decrease sooting tendency when added to a gasoline-base fuel (i.e., ~6% reduction at 20 vol.% blending level). Oxidation stability and lubricant compatibility were both confirmed for the 20 vol.% blend. Overall, these results demonstrate that dimethyl-hexenes have potential for improving engine efficiency and fuel economy while meeting emissions regulations and ASTM specifications for gasoline fuel.

09 BIOMASS FUELS↗
DOE OSTI2021

Twisted bilayer graphene. VI. An exact diagonalization study at nonzero integer filling

Using exact diagonalization, we research the projected Hamiltonian with the Coulomb interaction in the eight flat bands of first magic angle twisted bilayer graphene. Employing the U(4) [U(4) × U(4)] symmetries in the nonchiral (chiral) flat band limit, we reduced the Hilbert space to an extent that allows for study around ν = ±3,±2,±1 fillings. In the first chiral limit w 0 /w 1 = 0, where w 0 (w 1 ) is the A A (AB) stacking hopping, we find that the ground states at these fillings are extremely well-described by Slater determinants in a so-called Chern basis, and the exactly solvable charge ±1 excitations found in Bernevig et al. [Phys. Rev. B 103, 205415 (2021)] are the lowest charge excitations up to system sizes 8 × 8 (for restricted Hilbert space) in the chiral-flat limit. We also find that the flat metric condition (FMC) used by Bernevig et al. [Phys. Rev. B 103, 205411 (2021)], Song et al. [Phys. Rev. B 103, 205412 (2021)], Bernevig et al. [Phys. Rev. B 103, 205413 (2021)], Lian et al. [Phys. Rev. B 103, 205414 (2021)], and Bernevig et al. [Phys. Rev. B 103, 205415 (2021)] for obtaining a series of exact ground states and excitations holds in a large parameter space. For ν = -3, the ground state is the spin and valley polarized Chern insulator with ν C = ±1 at w 0 /w 1 ≲ 0.9 (0.3) with (without) FMC. At ν = -2, we can only numerically access the valley polarized sector, and we find a spin ferromagnetic phase when w 0 /w 1 ≳ 0.5 t where t ϵ [0,1] is the factor of rescaling of the actual TBG bandwidth, and a spin singlet phase otherwise, confirming the perturbative calculation [Lian. et al., Phys. Rev. B 103, 205414 (2021), Bultinck et al., Phys. Rev. X 10, 031034 (2020)]. The analytic FMC ground state is, however, predicted in the intervalley coherent sector which we cannot access [Lian et al., Phys. Rev. B 103, 205414 (2021), Bultinck et al., Phys. Rev. X 10, 031034 (2020)]. For ν = -3 with/without FMC, when w 0 /w 1 is large, the finite-size gap Δ to the neutral excitations vanishes, leading to phase transitions. Further analysis of the ground state momentum sectors at ν = -3 suggests a competition among (nematic) metal, momentum M M (π) stripe and K M -CDW orders at large w 0 /w 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Density fluctuation statistics and turbulence spreading at the edge of L–mode plasmas

Long-wavelength density fluctuations ($k{\rho _i}$ <1) are studied using beam emission spectroscopy (BES) at the edge of DIII-D L-mode plasmas (ρ = 0.88–1.1) in scenarios with electron cyclotron heating (ECH) power ramp (P ECH up to 1.5 MW), neutral beam injection (NBI) power ramp (P NBI up to 2.5 MW), and injected torque scan (-1 < T inj <0.6 Nm). We find that broadband turbulent density fluctuations (ƒ ~ 20–120 kHz) have a non-Gaussian distribution. The skewness of $\delta n/n$ changes sign from negative at ρ < 0.95–0.97 to positive at ρ > 0.97, indicating the prevalence of density 'voids' at inner radii and density 'blobs' at outer radii and outside of the separatrix. The turbulence intensity flux $\left\langle {{{\tilde v}_{\text{r}}}{{\tilde n}^2}} \right\rangle$ is calculated to characterize turbulence spreading at the plasma edge. During ECH/NBI power ramps and at counter-I p injected torque, $\left\langle {{{\tilde v}_{\text{r}}}{{\tilde n}^2}} \right\rangle$ is directed inward inside the separatrix, which is evidence of inward spreading of turbulence intensity from the edge gradient region caused by the inner propagation of density 'voids'. Significantly weaker $\left\langle {{{\tilde v}_{\text{r}}}{{\tilde n}^2}} \right\rangle$ is observed with co-I p torque. A correlation between co-I p torque, turbulence intensity $\delta n/n$ at ρ = 0.97, and increased srape-off layer (SOL) heat flux decay length ${\lambda _q}$ is found in the torque scan scenario, showing that edge turbulence plays a material role in determining the SOL conditions and heat flux width.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Long-Term Stochasticity Combines With Short-Term Variability in Assembly Processes to Underlie Rice Paddy Sustainability

Revealing temporal patterns of community assembly processes is important for understanding how microorganisms underlie the sustainability of agroecosystem. The ancient terraced rice paddies at Longji provide an ideal platform to study temporal dynamics of agroecosystem sustainability due to their chronosequential records of soil physicochemistry and well-archived microbial information along 630-year rice cultivation. We used statistical null models to evaluate microbial assembly processes along the soil chronosequences of Longji rice paddies through time. Stochastic and deterministic assembly processes jointly governed microbial community composition within successional eras (less than 250 years), and within-era determinism was mainly driven by soil fertility and redox conditions alone or in combination. Conversely, across successional eras (i.e., over 300 years), stochasticity linearly increased with increasing duration between eras and was eventually predominant for the whole 630 years. We suggest that the impact of stochasticity vs. determinism on assembly is timescale-dependent, and we propose that the importance of stochastic assembly of microbial community at longer timescales is due to the gradual changes in soil properties under long-term rice cultivation, which in turn contribute to the sustainability of paddy ecosystem by maintaining a diverse community of microorganisms with multi-functional traits. In total, our results indicate that knowledge on the timescales at which assembly processes govern microbial community composition is key to understanding the ecological mechanisms generating agroecosystem sustainability.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1994

Oscillator strengths of selected resonance transitions in neutral sulfur

Mean lives and branching ratios for the 4s (3)S(sup 0 sub 1) and 4s(double prime) (3)P(sup 0 sub 1, 2) levels of neutral sulfur were determined at the Toledo Heavy Ion Accelerator using beam-foil spectroscopic techniques. The mean lives obtained for the 4s (3)S(sup 0 sub 1) 4s(double prime) (3)P(sup 0 sub 1), and (3)P(sup 0 sub 2) levels, 1.875 +/- 0.094 ns, 2.034 +/- 0.102 ns, and 2.146 +/- 0.129 ns, respectively, represent the most accurate results available to date. Oscillator strengths for the transitions 3p(sup 4)(3)P(sub 2, 1, 0)-4s (3)S(sup 0 sub 1) and 3p(sup 4)(3)P(sub 2, 1, 0)-4s(double prime) (3)P(sup 0 sub 1, 2) were derived from these mean lives together with the measured branching ratios. For comparison with published results which present only multiplet f-values, such f-values were computed from the measured individual line oscillator strengths. The value obtained for the 3p(sup 4)(3)P-4s(sup 3)S(sup 0) multiplet at 1814 A is 0.088 +/- 0.005, in good agreement with the mean of previous experimental measurements and theoretical calculations. With the mean life for the 4s(double prime) 3P(sup 0 sub 0) level set equal to the mean of our determination for the other two 4s(double prime) (3)P(sup 0) levels (a valid assumption for LS coupling conditions, and consistent with the observed equality of the mean lives within the accuracy of our measurement), an oscillator strength for the 1299 A multiplet of 0.121 +/- 0.004 was found. Both results are in good agreement with recent large-scale theoretical calculations that incorporate the effects of configuration interaction.

Beideck, D. J.↗