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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

More Frequent and Persistent Heatwaves Due To Increased Temperature Skewness Projected by a High‐Resolution Earth System Model

Abstract Heatwaves are strongly associated with temperature distributions, but the mechanisms by which distributions are influenced by climate change remains unclear. Comparing simulations from a high‐spatial resolution Community Earth System Model (CESM‐HR) with those from low‐resolution models, we identify substantial improvements by CESM‐HR in reproducing observed Northern Hemisphere summer temperature skewness, as well as the frequency, intensity, persistence, and total heatwave days. Temperature skewness is strongly linked to land‐atmosphere interactions and atmospheric circulation. Under global warming projections, some regions exhibit enhanced temperature skewness, along with more frequent and persistent heatwaves of greater intensity. We find that in energy‐limited regimes, such as India, negative skewness in latent heat flux facilitates large positive skewness in sensible heat flux, which modulates near‐surface air temperatures. Skewness differences of latent and sensible heat fluxes are amplified under global warming, increasing the temperature skewness. We find that this contrasting flux mechanism is active in several heatwave‐prone regions.

Gao, Yang↗
DOE OSTI2025

Reducing Long‐Standing Surface Ozone Overestimation in Earth System Modeling by High‐Resolution Simulation and Dry Deposition Improvement

The overestimation of surface ozone concentration in low‐resolution global atmospheric chemistry and climate models has been a long‐standing issue. We first update the ozone dry deposition scheme in both high‐ (0.25°) and low‐resolution (1°) Community Earth System Model (CESM) version 1.3 runs, by adding the effects of leaf area index and correcting the sunlit and shaded fractions of stomatal resistances. With this update, 5‐year‐long summer simulations (2015–2019) using the low‐resolution CESM still exhibit substantial ozone overestimation (by 6.0–16.2 ppbv) over the U.S., Europe, eastern China, and ozone pollution hotspots. The ozone dry deposition scheme is further improved by adjusting the leaf cuticle conductance, reducing the mean ozone bias by 19%, and increasing the model resolution further reduces the ozone overestimation by 43%. We elucidate the mechanism by which model grid spacing influences simulated ozone, revealing distinctive pathways in urban versus rural areas. In rural areas, grid spacing mainly affects daytime ozone levels, where additional NO x emissions from nearby urban areas result in an ozone boost and overestimation in low‐resolution simulations. In contrast, over urban areas, daytime ozone overestimation follows a similar mechanism due to the influence of volatile organic compounds from surrounding rural areas. However, nighttime ozone overestimation is closely linked to weakened NO titration owing to the redistribution of urban NO x to rural areas. Additionally, stratosphere‐troposphere exchange may also contribute to reducing ozone bias in high‐resolution simulations, warranting further investigation. This optimized high‐resolution CESM may enhance understanding of ozone formation mechanisms, sources, and changes in a warming climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Enhanced Simulation of Atmospheric Blocking in a High‐Resolution Earth System Model: Projected Changes and Implications for Extreme Weather Events

Atmospheric blocking is closely linked to the occurrence of extreme weather events. However, low-resolution Earth system models often underestimate the frequency of blocking, undermining confidence in future projections. Here, in this study, we use the high-resolution Community Earth System Model (CESM-HR; 25 km atm and 10 km ocean) to show that CESM-HR reduces biases in atmospheric blocking for both winter and summer, particularly for events lasting longer than 10 days. This improvement is partly due to reduced sea surface temperature biases at higher resolution. Additionally, applying a bias correction to the 500 hPa geopotential height further enhances blocking frequency simulations, highlighting the crucial role of the mean state. Under the Representative Concentration Pathway 8.5 scenario, CESM-HR projects a decrease in wintertime blocking over regions such as the Euro-Atlantic and Chukchi-Alaska, consistent with previous studies. In contrast, summer blocking is expected to become more frequent and persistent, driven by weakened zonal winds. The blocking center shifts from historical locations over Scandinavia and eastern Russia to central Eurasia, significantly increasing blocking over the Ural region. Summer blocking frequency over the Scandinavia-Ural region may eventually surpass historical winter blocking over the Euro-Atlantic. This increase in summer blocking could exacerbate summer heatwaves in a warming climate, making severe heatwaves, like those observed recently, more common in the future.

Atmospheric blocking↗
DOE OSTI2020

Localized spin-orbit polaron in magnetic Weyl semimetal Co 3 Sn 2 S 2

The kagome lattice Co 3 Sn 2 S 2 exhibits the quintessential topological phenomena of a magnetic Weyl semimetal such as the chiral anomaly and Fermi-arc surface states. Probing its magnetic properties is crucial for understanding this correlated topological state. Here, using spin-polarized scanning tunneling microscopy/spectroscopy (STM/S) and non-contact atomic force microscopy (nc-AFM) combined with first-principle calculations, we report the discovery of localized spin-orbit polarons (SOPs) with three-fold rotation symmetry nucleated around single S-vacancies in Co 3 Sn 2 S 2. The SOPs carry a magnetic moment and a large diamagnetic orbital magnetization of a possible topological origin associated relating to the diamagnetic circulating current around the S-vacancy. Appreciable magneto-elastic coupling of the SOP is detected by nc-AFM and STM. Our findings suggest that the SOPs can enhance magnetism and more robust time-reversal-symmetry-breaking topological phenomena. Controlled engineering of the SOPs may pave the way toward practical applications in functional quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins

Prenylated indole alkaloids featuring spirooxindole rings possess a 3 R or 3 S carbon stereocenter, which determines the bioactivities of these compounds. Despite the stereoselective advantages of spirooxindole biosynthesis compared with those of organic synthesis, the biocatalytic mechanism for controlling the 3 R or 3 S -spirooxindole formation has been elusive. Here, we report an oxygenase/semipinacolase CtdE that specifies the 3 S -spirooxindole construction in the biosynthesis of 21 R -citrinadin A. High-resolution X-ray crystal structures of CtdE with the substrate and cofactor, together with site-directed mutagenesis and computational studies, illustrate the catalytic mechanisms for the possible β-face epoxidation followed by a regioselective collapse of the epoxide intermediate, which triggers semipinacol rearrangement to form the 3 S -spirooxindole. Comparing CtdE with PhqK, which catalyzes the formation of the 3 R -spirooxindole, we reveal an evolutionary branch of CtdE in specific 3 S spirocyclization. Our study provides deeper insights into the stereoselective catalytic machinery, which is important for the biocatalysis design to synthesize spirooxindole pharmaceuticals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Direct measurement of ferroelectric polarization in a tunable semimetal

Abstract Ferroelectricity, the electrostatic counterpart to ferromagnetism, has long been thought to be incompatible with metallicity due to screening of electric dipoles and external electric fields by itinerant charges. Recent measurements, however, demonstrated signatures of ferroelectric switching in the electrical conductance of bilayers and trilayers of WTe 2 , a semimetallic transition metal dichalcogenide with broken inversion symmetry. An especially promising aspect of this system is that the density of electrons and holes can be continuously tuned by an external gate voltage. This degree of freedom enables measurement of the spontaneous polarization as free carriers are added to the system. Here we employ capacitive sensing in dual-gated mesoscopic devices of bilayer WTe 2 to directly measure the spontaneous polarization in the metallic state and quantify the effect of free carriers on the polarization in the conduction and valence bands, separately. We compare our results to a low-energy model for the electronic bands and identify the layer-polarized states that contribute to transport and polarization simultaneously. Bilayer WTe 2 is thus shown to be a fully tunable ferroelectric metal and an ideal platform for exploring polar ordering, ferroelectric transitions, and applications in the presence of free carriers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Reversing sintering effect of Ni particles on γ-Mo 2 N via strong metal support interaction

Reversing the thermal induced sintering phenomenon and forming high temperature stable fine dispersed metallic centers with unique structural and electronic properties is one of the ever-lasting targets of heterogeneous catalysis. Here we report that the dispersion of metallic Ni particles into under-coordinated two-dimensional Ni clusters over γ-Mo 2 N is a thermodynamically favorable process based on the AIMD simulation. A Ni-4nm/γ-Mo 2 N model catalyst is synthesized and used to further study the reverse sintering effect by the combination of multiple in-situ characterization methods, including in-situ quick XANES and EXAFS, ambient pressure XPS and environmental SE/STEM etc. The under-coordinated two-dimensional layered Ni clusters on molybdenum nitride support generated from the Ni-4nm/γ-Mo 2 N has been demonstrated to be a thermally stable catalyst in 50 h stability test in CO 2 hydrogenation, and exhibits a remarkable catalytic selectivity reverse compared with traditional Ni particles-based catalyst, leading to a chemo-specific CO 2 hydrogenation to CO.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Suppressing phase disproportionation in quasi-2D perovskite light-emitting diodes

Electroluminescence efficiencies and stabilities of quasi-two-dimensional halide perovskites are restricted by the formation of multiple-quantum-well structures with broad and uncontrollable phase distributions. Here, we report a ligand design strategy to substantially suppress diffusion-limited phase disproportionation, thereby enabling better phase control. We demonstrate that extending the π-conjugation length and increasing the cross-sectional area of the ligand enables perovskite thin films with dramatically suppressed ion transport, narrowed phase distributions, reduced defect densities, and enhanced radiative recombination efficiencies. Consequently, we achieved efficient and stable deep-red light-emitting diodes with a peak external quantum efficiency of 26.3% (average 22.9% among 70 devices and cross-checked) and a half-life of ~220 and 2.8 h under a constant current density of 0.1 and 12 mA/cm 2 , respectively. Our devices also exhibit wide wavelength tunability and improved spectral and phase stability compared with existing perovskite light-emitting diodes. These discoveries provide critical insights into the molecular design and crystallization kinetics of low-dimensional perovskite semiconductors for light-emitting devices.

14 SOLAR ENERGY↗
DOE OSTI2023

Emergent superconductivity in topological-kagome-magnet/metal heterostructures

Itinerant kagome lattice magnets exhibit many novel correlated and topological quantum electronic states with broken time-reversal symmetry. Superconductivity, however, has not been observed in this class of materials, presenting a roadblock in a promising path toward topological superconductivity. Here, we report that novel superconductivity can emerge at the interface of kagome Chern magnet TbMn 6 Sn 6 and metal heterostructures when elemental metallic thin films are deposited on either the top (001) surface or the side surfaces. Superconductivity is also successfully induced and systematically studied by using various types of metallic tips on different TbMn 6 Sn 6 surfaces in point-contact measurements. The anisotropy of the superconducting upper critical field suggests that the emergent superconductivity is quasi-two-dimensional. Remarkably, the interface superconductor couples to the magnetic order of the kagome metal and exhibits a hysteretic magnetoresistance in the superconducting states. Taking into account the spin-orbit coupling, the observed interface superconductivity can be a surprising and more realistic realization of the p-wave topological superconductors theoretically proposed for two-dimensional semiconductors proximity-coupled to s-wave superconductors and insulating ferromagnets. Our findings of robust superconductivity in topological-Chern-magnet/metal heterostructures offer a new direction for investigating spin-triplet pairing and topological superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nonlinear optical diode effect in a magnetic Weyl semimetal

Diode effects are of great interest for both fundamental physics and modern technologies. Electrical diode effects (nonreciprocal transport) have been observed in Weyl systems. Optical diode effects arising from the Weyl fermions have been theoretically considered but not probed experimentally. Here, we report the observation of a nonlinear optical diode effect (NODE) in the magnetic Weyl semimetal CeAlSi, where the magnetization introduces a pronounced directionality in the nonlinear optical second-harmonic generation (SHG). We demonstrate a six-fold change of the measured SHG intensity between opposite propagation directions over a bandwidth exceeding 250 meV. Supported by density-functional theory, we establish the linearly dispersive bands emerging from Weyl nodes as the origin of this broadband effect. We further demonstrate current-induced magnetization switching and thus electrical control of the NODE. Our results advance ongoing research to identify novel nonlinear optical/transport phenomena in magnetic topological materials and further opens new pathways for the unidirectional manipulation of light.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Intensification of future subsurface marine heatwaves in an eddy-resolving model

A shift in depth range enables marine organisms to adapt to marine heatwaves (MHWs). Subsurface MHWs could limit this pathway, yet their response to climate warming remains unclear. Here, using an eddy-resolving Earth system model forced under a high emission scenario, we project a robust global increase in subsurface MHWs driven by rising subsurface mean temperatures and enhanced temperature variability. Historically, maximum MHW intensity occurs around 100m depth, which shifts to the faster-warming surface under greenhouse warming. However, removing the long-term warming trend yields an increase in subsurface MHW intensity and annual days greater than that at the surface, especially in large marine ecosystem regions, primarily due to increased variability. Additionally, days of the surface and subsurface concurrent event increase ten times more than those of individual events. Our study highlights a heightened threat to marine organisms under global warming, as the increased subsurface heatwaves reduce their refuge options.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Asymmetric rotations slow down diffusion under confinement

Translation and rotation are the two most fundamental forms of diffusion, yet their coupling mechanism is not clear, especially under confinement. Here, we provided evidence of the coupling between rotation and translation using a substituted benzene molecule as an example. A counterintuitive behavior was observed where the movement of the smaller molecule with an asymmetric shape was unexpectedly slower than the larger one with a symmetric shape in confined channels of zeolite. We showed that this diffusion behavior was caused by the presence of the specific and selective interaction of the asymmetric guest with the pores, which increased the local restricted residence time, thus inhibiting the translation under confinement, as further confirmed by dynamic breakthrough curves, uptake measurements, quasi-elastic neutron scattering, and 2 H solid-state NMR techniques. Our work correlated asymmetric rotation and diffusion under a confined environment, which enriched our understanding of the coupling between rotation and translation and could shed light on a fundamental understanding of the diffusion process.

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

Kramers nodal lines in intercalated TaS 2 superconductors

Kramers degeneracy is one fundamental embodiment of the quantum mechanical nature of particles with half-integer spin under time reversal symmetry. Under the chiral and noncentrosymmetric achiral crystalline symmetries, Kramers degeneracy emerges respectively as topological quasiparticles of Weyl fermions and Kramers nodal lines (KNLs), anchoring the Berry phase-related physics of electrons. However, an experimental demonstration for ideal KNLs well isolated at the Fermi level is lacking. Here, we establish a class of noncentrosymmetric achiral intercalated transition metal dichalcogenide superconductors with large Ising-type spin-orbit coupling, represented by In x TaS 2 , to host an ideal KNL phase. We provide evidence from angle-resolved photoemission spectroscopy with spin resolution, angle-dependent quantum oscillation measurements, and ab-initio calculations. Our work not only provides a realistic platform for realizing and tuning KNLs in layered materials, but also paves the way for exploring the interplay between KNLs and superconductivity, as well as applications pertaining to spintronics, valleytronics, and nonlinear transport.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Long-term warming in a Mediterranean-type grassland affects soil bacterial functional potential but not bacterial taxonomic composition

Abstract Climate warming is known to impact ecosystem composition and functioning. However, it remains largely unclear how soil microbial communities respond to long-term, moderate warming. In this study, we used Illumina sequencing and microarrays (GeoChip 5.0) to analyze taxonomic and functional gene compositions of the soil microbial community after 14 years of warming (at 0.8–1.0 °C for 10 years and then 1.5–2.0 °C for 4 years) in a Californian grassland. Long-term warming had no detectable effect on the taxonomic composition of soil bacterial community, nor on any plant or abiotic soil variables. In contrast, functional gene compositions differed between warming and control for bacterial, archaeal, and fungal communities. Functional genes associated with labile carbon (C) degradation increased in relative abundance in the warming treatment, whereas those associated with recalcitrant C degradation decreased. A number of functional genes associated with nitrogen (N) cycling (e.g., denitrifying genes encoding nitrate-, nitrite-, and nitrous oxidereductases) decreased, whereas nifH gene encoding nitrogenase increased in the warming treatment. These results suggest that microbial functional potentials are more sensitive to long-term moderate warming than the taxonomic composition of microbial community.

59 BASIC BIOLOGICAL SCIENCES↗