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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Structural effects of composition tuning in A-site disordered perovskite La0.5Li0.5−xMxTiO3 (M = Na, K) nanorods for fast interfacial transport for solid composite electrolyte design

Polymer-ceramic composite electrolytes (CPE) have emerged as promising replacements for currently used liquid organic electrolytes, which pose as safety hazards, in Li-ion batteries. Limits in conductivity enhancement in CPEs is often attributed to a high resistance for Li-ion transport along the interface due to the incompatibility of the polymer and ceramic phases. A clear understanding of the interfacial structure and how this impacts interfacial Li-ion transport is needed in order to efficiently design a CPE with optimal ionic conductivity. In this study, density functional theory (DFT) calculations, in conjunction with scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS), are used to unveil the bulk and surface structure of La0.5Li0.5−xMxTiO3 (M = Na, K) (LMTO) nanorods, a newly-reported ceramic system with promising applications in CPEs, and the LMTO interactions with the poly(lithium sulfonyl (trifluoromethane sulfonyl)imide methacrylate) (p(MTFSILi)) polymerized ionic liquid. Substitution of lithium for sodium and potassium onto the A-site perovskite lattice is shown to increase the stability of the preferred pseudocubic perovskite phase because of their increased cation size which allows them to reduce the TiO6 octahedral rotations in the bulk and at the surface. STEM and EELS results show that LMTO nanorods with differing compositions have Ti-enriched (110)-oriented surfaces. Increased sodium and potassium compositions in LMTO is also shown using the DFT calculations to weaken the binding of the lithium atom to the MTFSI unit when LiMTFSI is adsorbed to the LMTO surface. This weakening of lithium binding to the polymer at the LMTO interface indicates that the lithium mobility is increased, correlating to an increase in interfacial Li-ion transport. Overall, this work provides insights into how to tune the interfacial interactions between the polymer (p(MTFSI)) and ceramic (LMTO) for optimal CPE design.

Shepard, Lauren B [Pennsylvania State University, ↗
DOE OSTI2024

Gut enterotype-dependent modulation of gut microbiota and their metabolism in response to xanthohumol supplementation in healthy adults

Xanthohumol (XN), a polyphenol found in the hop plant (Humulus lupulus), has antioxidant, anti-inflammatory, prebiotic, and anti-hyperlipidemic activity. Preclinical evidence suggests the gut microbiome is essential in mediating these bioactivities; however, relatively little is known about XN’s impact on human gut microbiota in vivo. We conducted a randomized, triple-blinded, placebo-controlled clinical trial (ClinicalTrials.gov NCT03735420) to determine safety and tolerability of XN in healthy adults. Thirty healthy participants were randomized to 24 mg/day XN or placebo for 8 weeks. As secondary outcomes, quantification of bacterial metabolites and 16S rRNA gene sequencing were utilized to explore the relationships between XN supplementation, gut microbiota, and biomarkers of gut health. Although XN did not significantly change gut microbiota composition, it did re-shape individual taxa in an enterotype-dependent manner. High levels of inter-individual variation in metabolic profiles and bioavailability of XN metabolites were observed. Moreover, reductions in microbiota-derived bile acid metabolism were observed, which were enterotype-dependent. These results suggest interactions between XN and gut microbiota in healthy adults are highly inter-individualized and potentially indicate that XN elicits effects on gut health in an enterotype-dependent manner.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Dissection of Grass Cell Wall Lignin Formation and their Associated Dirigent Protein

This Final Report describes work underway to establish why monocot (e.g. grasses) lignins are more readily (bio)degradable than their woody gymnosperm, angiosperm, and fern counterparts. Our hypothesis is that monocot specific dirigent protein (DP) sub-families are wholly or partly involved in generating these more readily (bio)degradable lignins. Three approaches are underway: metabolomics and lignin analyses of stem and leaf tissues of the grass, Brachypodium; Crispr/Cas9 gene editing of monocot specific DP sub-families in this species, and recombinant protein expression of Brachypodium’s 44 DPs. Metabolomic and lignin analyses were completed for 6 and 8 week old Brachypodium in order to establish the molecular diversity of its largely phenolic metabolites: Crispr/Cas9 gene editing has also been done on specific DPs known to be expressed in lignifying stems, and T 2 generation plant lines are now being generated, prior to establishing the effects on lignin composition and content; in the recombinant DP work (which addresses establishing the biochemical function of the monocot specific DPs and other DPOs as needed), all 44 constructs have been generated (in collaboration with DOE JGI) and are being systematically expressed in either E. coli or yeast (Pichia sp.) for future studies. Future work will be directed towards bringing the current studies to completion, and in establishing the biochemical basis as to how these more readily (bio)degradable lignins are generated/assembled.

(bio)degradability↗
DOE OSTI2024

Structure and phase transitions in niobium and tantalum derived nanoscale transition metal perovskites, Ba(Ti,MV)O3, M=Nb,Ta

The prospect of creating ferroelectric or high permittivity nanomaterials provides motivation for investigating complex transition metal oxides of the form Ba(Ti, MV)O3, where M = Nb or Ta. Solid state processing typically produces mixtures of crystalline phases, rarely beyond minimally doped Nb/Ta. Using a modified sol-gel method, we prepared single phase nanocrystals of Ba(Ti, M)O3. Compositional and elemental analysis puts the empirical formulas close to BaTi0.5Nb0.5O3−δ and BaTi0.5Ta0.5O3−δ. For both materials, a reversible temperature dependent phase transition (non-centrosymmetric to symmetric) is observed in the Raman spectrum in the region 533–583 K (260–310 °C); for Ba(Ti, Nb)O3, the onset is at 543 K (270 °C); and for Ba(Ti, Ta)O3, the onset is at 533 K (260 °C), which are comparable with 390–393 K (117–120 °C) for bulk BaTiO3. The crystal structure was resolved by examination of the powder x-ray diffraction and atomic pair distribution function (PDF) analysis of synchrotron total scattering data. It was postulated whether the structure adopted at the nanoscale was single or double perovskite. Double perovskites (A2B′B″O6) are characterized by the type and extent of cation ordering, which gives rise to higher symmetry crystal structures. PDF analysis was used to examine all likely candidate structures and to look for evidence of higher symmetry. The feasible phase space that evolves includes the ordered double perovskite structure Ba2(Ti, MV)O6 (M = Nb, Ta) Fm-3m, a disordered cubic structure, as a suitable high temperature analog, Ba(Ti, MV)O3Pm-3m, and an orthorhombic Ba(Ti, MV)O3Amm2, a room temperature structure that presents an unusually high level of lattice displacement, possibly due to octahedral tilting, and indication of a highly polarized crystal.

Chemistry↗
DOE OSTI2022

Correcting for digital image correlation speckle inversion at high temperature using color cameras

Digital image correlation (DIC) is a popular, noncontacting technique to measure full-field deformation by using cameras to track the motion of an applied surface pattern. Because it is noncontacting, DIC can be performed for extreme temperature applications (e.g., hot-fire rocket testing of carbon composite rocket nozzles) under harsh conditions during which bonded gauges are damaged. Speckle pattern inversion is a phenomenon that sometimes occurs while performing high-temperature DIC. During speckle pattern inversion, portions of the surface pattern that were initially darker at room temperature (e.g., graphite) may emit more light due to blackbody radiation than the portions that were initially paler, thereby producing images in which the pattern appears inverted at high temperature relative to the initial pattern at room temperature. This phenomenon can prevent the correlation algorithm from being able to resolve the displacements between images. This work compares three methods to mitigate speckle pattern inversion: (A) the subtraction method, a recently-published technique in which two high-temperature images are subtracted to remove unwanted light; (B) the filtering method, a popular technique in which optical bandpass filters screen out unwanted light; and (C) the histogram rescaling method, a proposed new method that pairs a color camera with a blue light source and uses information from the green sensor of the camera to correct against inversion in the blue sensor through postprocessing. The histogram rescaling method is shown to successfully eliminate speckle pattern inversion and has the added advantages that it does not require quasi-static loading to be able to compensate for speckle pattern inversion, nor does it impose thick-glass distortions caused by the optical filter.

Rowley, Lindsey J.↗
DOE OSTI2026

Carbon–Mineral Slurry Electrodes for Energy-Efficient Lithium Leaching from Low-Grade Clay Feedstocks

Lithium extraction from clay deposits is typically hampered by low lithium grades and the high capital and energy demands of conventional processing. We report an ambient temperature electrochemical leaching method that bypasses high-temperature roasting and concentrated-acid leaching, directly liberating 93% of lithium from low-grade hectorite in 24 h at 1 V, with 77% Faradaic efficiency, an energy intensity of 3.91 MWh/t lithium carbonate equivalent (LCE). Utilizing a carbon-mineral composite slurry electrode strategy we achieve electron-driven lattice deconstruction through iron oxidation coupled with proton uptake to drive lithium deintercalation, offering a new strategy for low-temperature critical-metal recovery. A preliminary cost analysis highlights pathways to achieving cost intensities below $3000/t LCE. Challenges remain in improving current density, extraction kinetics, and demonstrating process scalability, however, this work establishes a foundation for effective electrochemical lithium extraction from abundant but previously uneconomical clay deposits.

Haddad, Andrew Z↗
DOE OSTI2026

Promotion of CaCO 3 Nucleation by Carboxyl- and Amine-Terminated Peptoid Nanotubes

The use of surfaces to promote heterogeneous nucleation of CaCO 3 has been extensively studied to better understand natural processes of biomineralization, to develop bioinspired approaches for synthesizing composite materials with diverse functionalities, and as a route toward accelerating CO 2 mineralization. Peptoids have emerged as a material of particular interest, because they offer tunable side chain chemistry while maintaining a constant long-range self-assembled architecture. Here, in this work, we investigate the ability of films of self-assembled -NH 2 and −COOH terminated peptoid nanotubes to promote the nucleation of CaCO 3 . Using a combination of atomic force, scanning electron, and optical microscopy, we find that interwoven films of nanotubes formed from peptoids with -NH 2 side chains promote the preferential formation of vaterite with the (001) plane parallel to the film and exhibit a lower interfacial energy than that reported for inorganic surfaces. In contrast, the film of −COOH-functionalized peptoid nanotubes is a much stronger promoter, giving a particle density 5 orders of magnitude larger than for the -NH 2 terminated peptoid nanotubes and enabling complete coverage of individual peptoid tubes with CaCO 3 nanoparticles that results in a composite material with a 50-fold increase in Young’s modulus. Thus, interwoven films of peptoid nanotubes provide a useful platform for investigating the impact of specific chemical groups on nucleation and offer potential application to accelerated mineralization of CO 2 for removal from the environment or modulation of mineralogy and properties of carbonate-based building materials.

carbon nanotubes↗
DOE OSTI2026

Engineering Assembly Kinetics and Line Roughness in Solvent Vapor-Annealed Block Copolymer/Homopolymer Blends

Block copolymer (BCP) directed self-assembly (DSA) is a promising route to enhance lithography resolution by multiplying nanopattern density and reducing feature roughness. Eliminating kinetically trapped self-assembly defects requires fast self-assembly. However, acceleration strategies like solvent vapor annealing or homopolymer blending broaden domain interfaces, implying a trade-off in increased feature roughness. In this work, we experimentally investigate this apparent dilemma between self-assembly kinetics and line roughness for solvent vapor-annealed thin films of a lamellar poly(styrene-block-2-vinylpyridine) (PS-b-P2VP) BCP blended with PS and P2VP homopolymers. Binary blends with PS or P2VP homopolymers and ternary blends incorporating both in equal weight fractions were solvent vapor annealed using acetone, a near-neutral solvent for PS and P2VP, followed by P2VP-selective vapor-phase infiltration with alumina (AlOx) and polymer etching. Binary blends with P2VP exhibit a modest kinetic enhancement but also higher line-edge and -width roughness due to the increased frequency of P2VP protrusions and bridge defects in the alumina line patterns. In contrast, binary blends with PS self-assemble noticeably faster, while domain asymmetry from the added PS homopolymer reduces roughness by curbing the number of alumina protrusions and bridge defects. Ternary blends maintain DSA line patterns across a wider composition window and, at higher homopolymer loadings, reduce roughness at length scales near the lamellar period, consistent with a reduced impact of intradomain compositional fluctuations. These findings provide important insights for codesigning blend compositions and process flows to achieve high-resolution, defect free patterns with minimal roughness through BCP DSA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Critical analysis of self-doping and water-soluble n-type organic semiconductors: structures and mechanisms

Self-doping organic semiconductors provide a promising route to avoid instabilities and morphological issues associated with molecular n-type dopants. Structural characterization of a naphthalenetetracarboxylic diimide (NDI) semiconductor covalently bound to an ammonium hydroxide group is presented. The dopant precursor was found to be the product of an unexpected base catalyzed hydrolysis, which was reversible. The reversible hydrolysis had profound consequences on the chemical composition, morphology, and electronic performance of the doped films. In addition, we investigated the degradation mechanism of the quaternary ammonium group and the subsequent doping of NDI. These findings reveal that the products of more than one chemical reaction during processing of films must be considered when utilizing this promising class of water-soluble semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Targeted inhibition of gut bacterial β-glucuronidase activity enhances anticancer drug efficacy

Irinotecan treats a range of solid tumors, but its effectiveness is severely limited by gastrointestinal (GI) tract toxicity caused by gut bacterial β-glucuronidase (GUS) enzymes. Targeted bacterial GUS inhibitors have been shown to partially alleviate irinotecan-induced GI tract damage and resultant diarrhea in mice. Here, we unravel the mechanistic basis for GI protection by gut microbial GUS inhibitors using in vivo models. We use in vitro, in fimo, and in vivo models to determine whether GUS inhibition alters the anticancer efficacy of irinotecan. We demonstrate that a single dose of irinotecan increases GI bacterial GUS activity in 1 d and reduces intestinal epithelial cell proliferation in 5 d, both blocked by a single dose of a GUS inhibitor. In a tumor xenograft model, GUS inhibition prevents intestinal toxicity and maintains the antitumor efficacy of irinotecan. Remarkably, GUS inhibitor also effectively blocks the striking irinotecan-induced bloom of Enterobacteriaceae in immune-deficient mice. In a genetically engineered mouse model of cancer, GUS inhibition alleviates gut damage, improves survival, and does not alter gut microbial composition; however, by allowing dose intensification, it dramatically improves irinotecan’s effectiveness, reducing tumors to a fraction of that achieved by irinotecan alone, while simultaneously promoting epithelial regeneration. These results indicate that targeted gut microbial enzyme inhibitors can improve cancer chemotherapeutic outcomes by protecting the gut epithelium from microbial dysbiosis and proliferative crypt damage.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Numerical relativity simulations of the neutron star merger GW190425: microphysics and mass ratio effects

ABSTRACT GW190425 was the second gravitational wave (GW) signal compatible with a binary neutron star (BNS) merger detected by the Advanced LIGO and Advanced Virgo detectors. Since no electromagnetic counterpart was identified, whether the associated kilonova was too dim or the localization area too broad is still an open question. We simulate 28 BNS mergers with the chirp mass of GW190425 and mass ratio 1 ≤ q ≤ 1.67, using numerical-relativity simulations with finite-temperature, composition dependent equations of state (EOS) and neutrino radiation. The energy emitted in GWs is $\lesssim 0.083\mathrm{\, M_\odot }c^2$ with peak luminosity of 1.1–$2.4\times ~10^{58}/(1+q)^2\, {\rm {erg \, s^{-1}}}$. Dynamical ejecta and disc mass range between 5 × 10−6–10−3 and 10−5–$0.1 \mathrm{\, M_\odot }$, respectively. Asymmetric mergers, especially with stiff EOSs, unbind more matter and form heavier discs compared to equal mass binaries. The angular momentum of the disc is 8–$10\mathrm{\, M_\odot }~GM_{\rm {disc}}/c$ over three orders of magnitude in Mdisc. While the nucleosynthesis shows no peculiarity, the simulated kilonovae are relatively dim compared with GW170817. For distances compatible with GW190425, AB magnitudes are always dimmer than ∼20 mag for the B, r, and K bands, with brighter kilonovae associated to more asymmetric binaries and stiffer EOSs. We suggest that, even assuming a good coverage of GW190425’s sky location, the kilonova could hardly have been detected by present wide-field surveys and no firm constraints on the binary parameters or EOS can be argued from the lack of the detection.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Riverine bacterioplankton and phytoplankton assembly along an environmental gradient induced by urbanization

In the Anthropocene, human activities are intensifying stresses on biological communities across ecosystems. Knowledge on how environmental changes influence microbial community dynamics is crucial but currently limited. Here we unraveled ecological processes generating distribution patterns of bacterioplankton and phytoplankton communities in a river draining an urbanizing watershed in southern China. In this ecosystem, longitudinal environmental heterogeneity and directional flow potentially have counteracting effects on planktonic community assembly. Using simultaneously multiple approaches, we showed that the observed compositional patterns result from an interplay of stochastic and deterministic processes, indicating that dispersal via fluvial connectivity could not override local selective pressures. Successional shifts in the relative importance of the above processes were associated with trends in climatic factors. High diversity was observed at the intermediate levels of ecological processes alongside intense inter-species interactions maintained by a few keystone taxa. Altogether, interactions between climatic conditions, landscape and hydrology control plankton community dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Uncovering Uranium Isotopic Heterogeneity of Fuel Pellets from the Fifth Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group

In 2017, the Nuclear Forensics International Technical Working Group (ITWG) organized their fifth 37 Collaborative Materials Exercise (CMX-5). The exercise samples were two uranium dioxide fuel pellets 38 manufactured from the same starting materials by different processes to have similar bulk isotopic 39 composition, but different spatial uranium isotopic distributions. Sets of identical materials were sent to 40 all participating laboratories, who then utilized their existing nuclear forensic capabilities to 41 independently analyse fuel pellets and identify similarities and differences of the materials’ 42 characteristics. The analytical methods used to probe the fuel pellets included ex situ, such as sectioning 43 or breaking up the pellets and analyzing dissolved pieces using inductively coupled plasma mass 44 spectrometry (ICP-MS), analyzing particles collected from intact or fragmented pellets by secondary ion 45 mass spectrometry (SIMS), as well as in situ methods, such as laser ablation coupled with ICP-MS, 46 autoradiography and nanoSIMS. In this paper we present the results of these independent analyses and 47 compare the capabilities of those nuclear forensic analytical methods to uncover details of the isotopic 48 heterogeneity of uranium fuel pellets.

Nuclear Forensic Analysis of Uranium Fuel Pellets,↗
DOE OSTI2020

GeMini: A High-Resolution, Low-Resource, Gamma-Ray Spectrometer for Planetary Science Applications

GeMini is a high-resolution gamma-ray spectrometer designed for planetary-science exploration. GeMini serves as the basis for instruments being flown on three upcoming deep-space missions: NASA’s mission to the M-class asteroid (16) Psyche, the Japan Aerospace Exploration Agency sample-return mission to the moons of Mars, and NASA’s Dragonfly mission that will land on Saturn’s largest moon, Titan. These science missions require high-resolution spectroscopy in a low-power, low-mass, rugged design that can survive in a variety of environments. GeMini addresses these needs by providing a cryogenically cooled crystal of high-purity germanium that can operate with as little as 10 to 20 watts, depending on the implementation and mission, and has a mass of less than 2 kg. GeMini helps determine the elemental composition of planetary bodies by measuring gamma rays emitted from the surface. This paper describes the mechanical, thermal, and electrical design of GeMini as well as its performance. Further, it describes testing that was performed to validate the design with respect to launch loads and radiation damage. Although the basic design of GeMini is common to all three missions, each planetary body has unique environmental conditions and mission specifications. This paper concludes by describing these upcoming missions and how GeMini is customized for each.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Pan-cancer proteogenomics characterization of tumor immunity

Despite the successes of immunotherapy in cancer treatment over recent decades, less than <10%–20% cancer cases have demonstrated durable responses from immune checkpoint blockade. To enhance the efficacy of immunotherapies, combination therapies suppressing multiple immune evasion mechanisms are increasingly contemplated. To better understand immune cell surveillance and diverse immune evasion responses in tumor tissues, we comprehensively characterized the immune landscape of more than 1,000 tumors across ten different cancers using CPTAC pan-cancer proteogenomic data. We identified seven distinct immune subtypes based on integrative learning of cell type compositions and pathway activities. We then thoroughly categorized unique genomic, epigenetic, transcriptomic, and proteomic changes associated with each subtype. Further leveraging the deep phosphoproteomic data, we studied kinase activities in different immune subtypes, which revealed potential subtype-specific therapeutic targets. Insights from this work will facilitate the development of future immunotherapy strategies and enhance precision targeting with existing agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Hollow-cathode chemical vapor deposition of thick, low-stress diamond-like carbon films

A radio-frequency (RF), hollow-cathode plasma source with confining magnetic field is described for the chemical vapor deposition of thick ( > 10 µm), amorphous diamond-like carbon ablator films for inertial confinement fusion applications. Plasma is characterized by optical emission spectroscopy, while properties of the resultant films are measured by a combination of profilometry, Rutherford backscattering spectrometry, elastic recoil detection analysis, X-ray diffraction, Raman spectroscopy, and atomic force microscopy. The dependence of the deposition rate, film density, elemental composition, self-bias and residual stress is reported as a function of RF power. Higher density films were found when using Ar plasma, than N 2 or H 2 plasma. The coatings produced are x-ray amorphous, exhibit low compressive stress ( ~ 100 MPa), high density ( < 1.7 g/cm 3 ), hydrogen content of ~ 30 at.%, and a low average roughness of 0.75 nm. Finally, applications of these films as tunable-density ablators for inertial confinement fusion experiments are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microbial Ecology and Site Characteristics Underlie Differences in Salinity-Methane Relationships in Coastal Wetlands

Methane (CH 4 ) is a potent greenhouse gas emitted by archaea in anaerobic environments such as wetland soils. Tidal freshwater wetlands are predicted to become increasingly saline as sea levels rise due to climate change. Previous work has shown that increases in salinity generally decrease CH 4 emissions, but with considerable variation, including instances where salinization increased CH 4 flux. We measured microbial community composition, biogeochemistry, and CH 4 flux from field samples and lab experiments from four different sites across a wide geographic range. We sought to assess how site differences and microbial ecology affect how CH 4 emissions are influenced by salinization. CH 4 flux was generally, but not always, positively correlated with CO 2 flux, soil carbon, ammonium, phosphate, and pH. Methanogen guilds were positively correlated with CH 4 flux across all sites, while methanotroph guilds were both positively and negatively correlated with CH 4 depending on site. There was mixed support for negative relationships between CH 4 fluxes and concentrations of alternative electron acceptors and abundances of taxa that reduce them. CH 4 /salinity relationships ranged from negative, to neutral, to positive and appeared to be influenced by site characteristics such as pH and plant composition, which also likely contributed to site differences in microbial communities. The activity of site-specific microbes that may respond differently to low-level salinity increases is likely an important driver of CH 4 /salinity relationships. Our results suggest several factors that make it difficult to generalize CH 4 /salinity relationships and highlight the need for paired microbial and flux measurements across a broader range of sites.

54 ENVIRONMENTAL SCIENCES↗