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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Reflections on one million compounds in the open quantum materials database (OQMD)

Abstract Density functional theory (DFT) has been widely applied in modern materials discovery and many materials databases, including the open quantum materials database (OQMD), contain large collections of calculated DFT properties of experimentally known crystal structures and hypothetical predicted compounds. Since the beginning of the OQMD in late 2010, over one million compounds have now been calculated and stored in the database, which is constantly used by worldwide researchers in advancing materials studies. The growth of the OQMD depends on project-based high-throughput DFT calculations, including structure-based projects, property-based projects, and most recently, machine-learning-based projects. Another major goal of the OQMD is to ensure the openness of its materials data to the public and the OQMD developers are constantly working with other materials databases to reach a universal querying protocol in support of the FAIR data principles.

08 HYDROGEN↗
DOE OSTI2026

Vegetation heterogeneity reflects soil thermal state and surface soil displacement in a thawing permafrost landscape

Thawing permafrost has the potential to dramatically alter the physical and ecological structure of northern landscapes. Warming of the Arctic and subsequent degradation of permafrost have created a need to assess the stability and movement of soils on hillslopes and the potential impacts on ecosystem structure. In this work, we explore the relationships among vegetation heterogeneity, soil temperature, and soil surface displacements observed from 2019 to 2022 in a watershed in the discontinuous permafrost region on the Seward Peninsula of Alaska. Vegetation heterogeneity was measured as the standard deviation (SD) of the normalized difference vegetation index (NDVI) from 3 m PlanetScope satellite imagery around each soil temperature and active layer thickness observation. Locations of observations were clustered into three soil thermal groups, warm, intermediate, and cold, based on soil temperature and active layer thickness. Average annual horizontal surface displacements were significantly lower for soils within the warm thermal group (median = 0.033 m yr −1 ) compared to soils within the cold thermal group (median = 0.090 m yr −1 ; p < 0.001). Conversely, vegetation heterogeneity was significantly higher in the warm (median = 0.014 SD NDVI; p = 0.002) and intermediate (median = 0.015 SD NDVI; p = 0.002) groups compared with the cold thermal group (median = 0.012 SD NDVI), suggesting a warming-induced shift in vegetation community complexity. Because of the observed associations of ground surface displacement rates and vegetation heterogeneity with soil thermal state, we hypothesize that warming soil conditions induce changes in the rates and patterns of hillslope erosion due to an increase in surface movement as near-surface permafrost thaws, followed by a decrease as the permafrost table deepens and excess ice content diminishes. The transition to warm soils promotes surface ecosystem transformation, shifting the dominant vegetation at the site, given the warming climatic conditions of the region. We integrated our observations of soil temperature, vegetation heterogeneity, and soil surface displacements into a conceptual model that describes the co-evolution of hillslopes and vegetation in warming permafrost environments, which is currently unrepresented in earth system models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Intramolecular carbon isotope signals reflect metabolite allocation in plants

Abstract Stable isotopes at natural abundance are key tools to study physiological processes occurring outside the temporal scope of manipulation and monitoring experiments. Whole-molecule carbon isotope ratios (13C/12C) enable assessments of plant carbon uptake yet conceal information about carbon allocation. Here, we identify an intramolecular 13C/12C signal at tree-ring glucose C-5 and C-6 and develop experimentally testable theories on its origin. More specifically, we assess the potential of processes within C3 metabolism for signal introduction based (inter alia) on constraints on signal propagation posed by metabolic networks. We propose that the intramolecular signal reports carbon allocation into major metabolic pathways in actively photosynthesizing leaf cells including the anaplerotic, shikimate, and non-mevalonate pathway. We support our theoretical framework by linking it to previously reported whole-molecule 13C/12C increases in cellulose of ozone-treated Betula pendula and a highly significant relationship between the intramolecular signal and tropospheric ozone concentration. Our theory postulates a pronounced preference for leaf cytosolic triose-phosphate isomerase to catalyse the forward reaction in vivo (dihydroxyacetone phosphate to glyceraldehyde 3-phosphate). In conclusion, intramolecular 13C/12C analysis resolves information about carbon uptake and allocation enabling more comprehensive assessments of carbon metabolism than whole-molecule 13C/12C analysis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Regional Differences in the Structure of Juglans nigra Phytobiome Reflect Geographical Differences in Thousand Cankers Disease Severity

Thousand cankers disease threatens Juglans nigra (Eastern Black Walnut) in urban and natural landscapes. Incidence and severity of thousand cankers disease is higher in the host’s introduced range in the western United States. We hypothesized that these differences are driven partly by geographical variation in the host phytobiome due to its roles in host stress tolerance, nutrient acquisition, and defense. To evaluate the role of the phytobiome in mediating thousand cankers disease, we characterized the J. nigra phytobiome of diseased and healthy trees in portions of its native (Indiana and Tennessee) and introduced (Washington) ranges. Grafted clones present in each state and open-pollinated populations were sampled. DNA was extracted from soil and branch (caulosphere) tissues and internal transcribed spacer and 16s regions were sequenced for characterization of fungal and bacterial communities. We found that microbial communities in the caulosphere and soil differ between native and introduced ranges of J. nigra and harbor different mutualistic and pathogenic microorganisms. Additionally, caulosphere microbial communities were more species rich and diverse in the native range of J. nigra, suggesting greater levels of functional redundancy and multifunctionality in the native-range phytobiome compared with the introduced range. We also found higher network complexity in the caulosphere of trees in the introduced range and evidence for two alternative stable community states associated with diseased and healthy trees. Our results provide support for the hypothesis that geographical variation in thousand cankers disease incidence and severity is partially driven by differences in the phytobiome of J. nigra in its introduced and native ranges.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Tuning magneto-optical zero reflection via dual-channel hybrid magnonics

Multichannel coupling in hybrid systems makes an attractive testbed not only because of the distinct advantages entailed by each constituent mode but also because the opportunity to leverage interference among the various excitation pathways. Here, via combined analytical calculation and experiment, we demonstrate that the phase of the magnetization precession at the interface of a coupled yttrium iron garnet (YIG)/permalloy (Py) bilayer is collectively controlled by the microwave photon field torque and the interlayer exchange torque, manifesting a coherent, dual-channel excitation scheme that effectively tunes the magneto-optical spectrum. Furthermore, the different torque contributions vary with frequency, external bias field, and type of interlayer coupling between YIG and Py, which further results in destructive or constructive interferences between the two excitation channels, and hence selective suppression or amplification of the hybridized magnon modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Consistency between reflection momentum-resolved electron energy loss spectroscopy and optical spectroscopy measurements of the long-wavelength density response of Bi 2 Sr 2 CaCu 2 O 8 + x

The density fluctuation spectrum captures many fundamental properties of strange metals. Using momentum-resolved electron energy-loss spectroscopy (M-EELS), we recently showed that the density response of the strange metal Bi 2 Sr 2 CaCu 2 O 8+x (Bi-2212) at large momentum, q, exhibits a constant-in-frequency continuum reminiscent of the marginal Fermi liquid (MFL) hypothesis of the late 1980s. However, reconciling this observation with infrared (IR) optics experiments, which show a well-defined plasmon excitation at q ~ 0, has been challenging. Here we report M-EELS measurements of Bi-2212 using 4× improved momentum resolution, allowing us to reach the optical limit. For momenta q < 0.04 r.l.u., the M-EELS data show a plasmon feature that is quantitatively consistent with IR optics. For q > 0.04 r.l.u., the spectra become incoherent with an MFL-like, constant-in-frequency form. Here we speculate that, at finite frequency, ω, and nonzero q, some attribute of this Planckian metal randomizes the probe electron, causing it to lose information about its own momentum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Mirror at the edge of the universe: Reflections on an accelerated boundary correspondence with de Sitter cosmology

An accelerated boundary correspondence (ABC) is solved for the de Sitter moving mirror cosmology. The beta Bogoliubov coefficients reveal the particle spectrum is a Planck distribution with temperature inversely proportional to horizon radius. The quantum stress tensor indicates a constant emission of energy flux consistent with eternal equilibrium, while the total energy carried by the particles remains finite. In conclusion, the curved spacetime transformation to flat spacetime with an accelerated boundary is illustrated, and also shown for anti-de Sitter (AdS) spacetime.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Reflections on Noether’s second theorem and the energy-momentum tensor

Through symmetry of the action under global spacetime translations, Noether’s first theorem infamously entails an energy-momentum tensor (EMT) that is neither symmetric nor gauge-invariant. In a prior work [Phys. Rev. D 106, 125012 (2022)], I had obtained a symmetric and gauge-invariant EMT by using Noether’s second theorem instead, with local spacetime translations as the symmetry group. However, the derivation therein was flawed, containing a faulty assumption about the transformation rule for spinor fields. In this work, I revisit the derivation of the previous work, both correcting the faulty step and simplifying the derivation for broader accessibility. The end result is an EMT for quantum chromodynamics that is gauge-invariant, but not symmetric.

Quantum chromodynamics↗
DOE OSTI2020

Two-stage reflective self-seeding scheme for high-repetition-rate X-ray free-electron lasers

X-ray free-electron lasers (XFELs) open a new era of X-ray based research by generating extremely intense X-ray flashes. To further improve the spectrum brightness, a self-seeding FEL scheme has been developed and demonstrated experimentally. As the next step, new-generation FELs with high repetition rates are being designed, built and commissioned around the world. A high repetition rate would significantly speed up the scientific research; however, alongside this improvement comes new challenges surrounding thermal management of the self-seeding monochromator. Here, a new configuration for self-seeding FELs is proposed, operated under a high repetition rate which can strongly suppress the thermal effects on the monochromator and provides a narrow-bandwidth FEL pulse. Three-dimension time-dependent simulations have been performed to demonstrate this idea. Finally, with this proposed configuration, high-repetition-rate XFEL facilities are able to generate narrow-bandwidth X-ray pulses without obvious thermal concern on the monochromators.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗