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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spatial Heterogenous Redox Couples Degradation in Sodium-Ion Battery Cathode Materials and the Mitigation of Voltage Fade by Blocking Oxygen Release

The use of anionic redox has become a new paradigm for improving the energy density of rechargeable batteries, which is essential for improving the market competitiveness of sodium-ion batteries. However, issues such as voltage attenuation and cycling stability degradation persist in layered oxide anion redox cathode materials. Here, in this study, we systematically investigate the classic Na-ion cathode material Na 0.6 Li 0.2 Mn 0.8 O 2 , and the primary causes of voltage decay are identified as the activation of cations and the reduction in anion redox activity. In addition, the activation of cations is closely associated with anion reactions. Through the application of sophisticated multiscale synchrotron absorption spectroscopy and imaging techniques, we have identified a pronounced pattern of spatially dependent degradation in the evolution of redox couples, which is more evident from the material’s surface to its core. With this understanding, we introduced a surface fluorination approach that modulates the local chemical coordination environment. This strategy increases the formation energy of surface oxygen vacancies and locks transition metals oxide state. Consequently, it enables more reversible anionic redox reactions, which block the spatial progression of degradation and mitigates voltage decay.

25 ENERGY STORAGE↗
DOE OSTI2023

Designing an Observing System to Study the Surface Biology and Geology (SBG) of the Earth in the 2020s

Abstract Observations of planet Earth from space are a critical resource for science and society. Satellite measurements represent very large investments and United States (US) agencies organize their effort to maximize the return on that investment. The US National Research Council conducts a survey of Earth science and applications to prioritize observations for the coming decade. The most recent survey prioritized a visible to shortwave infrared imaging spectrometer and a multispectral thermal infrared imager to meet a range of needs for studying Surface Biology and Geology (SBG). SBG will be the premier integrated observatory for observing the emerging impacts of climate change by characterizing the diversity of plant life and resolving chemical and physiological signatures. It will address wildfire risk, behavior, and recovery as well as responses to hazards such as oil spills, toxic minerals in minelands, harmful algal blooms, landslides, and other geological hazards. The SBG team analyzed needed instrument characteristics (spatial, temporal, and spectral resolutions, measurement uncertainty) and assessed the cost, mass, power, volume, and risk of different architectures. We present an overview of the Research and Applications trade‐study analysis of algorithms, calibration and validation needs, and societal applications with specifics of substudies detailed in other articles in this special collection. We provide a value framework to converge from hundreds down to three candidate architectures recommended for development. The analysis identified valuable opportunities for international collaboration to increase the revisit frequency, adding value for all partners, leading to a clear measurement strategy for an observing system architecture.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Single-photon emission from two-dimensional perovskites channeled through low-energy edge states

Two-dimensional perovskites, an emerging family of van der Waals materials with an innate quantum-well structure, exhibit remarkable optical characteristics and compositional tunability. However, their potential as a source for quantum emitters remains unexplored. Here, we investigate low-energy edge states unique to two-dimensional perovskites using comprehensive photoluminescence imaging and spectroscopy, to further leverage them towards uncovering quantum emitters. In contrast to above-bandgap excitation, spatially localized single-photon emitters are realized through sub-bandgap energy excitation at the edges in exfoliated single crystals. Specifically, the sub-bandgap excitation facilitates efficient access to deeply confined states within the bandgap, as charge carriers can channel through low-energy edge states while inhibiting competing processes. Furthermore, we demonstrate single-photon emitters from artificially created edges via strain as well as from two-dimensional perovskites with different quantum-well thicknesses. Our findings provide promising opportunities in the development of two-dimensional quantum emitters, where two-dimensional perovskites may provide added functionalities with versatility in material design, fabrication, and scalability.

Materials for optics↗
DOE OSTI2023

Machine learning for automated experimentation in scanning transmission electron microscopy

Abstract Machine learning (ML) has become critical for post-acquisition data analysis in (scanning) transmission electron microscopy, (S)TEM, imaging and spectroscopy. An emerging trend is the transition to real-time analysis and closed-loop microscope operation. The effective use of ML in electron microscopy now requires the development of strategies for microscopy-centric experiment workflow design and optimization. Here, we discuss the associated challenges with the transition to active ML, including sequential data analysis and out-of-distribution drift effects, the requirements for edge operation, local and cloud data storage, and theory in the loop operations. Specifically, we discuss the relative contributions of human scientists and ML agents in the ideation, orchestration, and execution of experimental workflows, as well as the need to develop universal hyper languages that can apply across multiple platforms. These considerations will collectively inform the operationalization of ML in next-generation experimentation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Revealing the evolution of order in materials microstructures using multi-modal computer vision

The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microstructural order. Our present understanding is typically derived from laborious manual analysis of imaging and spectroscopy data, which is difficult to scale, challenging to reproduce, and lacks the ability to reveal latent associations needed for mechanistic models. Here, we demonstrate a multi-modal machine learning (ML) approach to describe order from electron microscopy analysis of the complex oxide La 1−x Sr x FeO 3 . We construct a hybrid pipeline based on fully and semi-supervised classification, allowing us to evaluate both the characteristics of each data modality and the value each modality adds to the ensemble. We observe distinct differences in the performance of uni- and multi-modal models, from which we draw general lessons in describing crystal order using computer vision.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Observation of single-defect memristor in an MoS2 atomic sheet

Non-volatile resistive switching, also known as memristor effect, where an electric field switches the resistance states of a two-terminal device, has emerged as an important concept in the development of high-density information storage, computing and reconfigurable systems. The past decade has witnessed substantial advances in non-volatile resistive switching materials such as metal oxides and solid electrolytes. It was long believed that leakage currents would prevent the observation of this phenomenon for nanometre-thin insulating layers. However, the recent discovery of non-volatile resistive switching in two-dimensional monolayers of transition metal dichalcogenide and hexagonal boron nitride sandwich structures (also known as atomristors) has refuted this belief and added a new materials dimension owing to the benefits of size scaling. Here we elucidate the origin of the switching mechanism in atomic sheets using monolayer MoS 2 as a model system. Atomistic imaging and spectroscopy reveal that metal substitution into a sulfur vacancy results in a non-volatile change in the resistance, which is corroborated by computational studies of defect structures and electronic states. These findings provide an atomistic understanding of non-volatile switching and open a new direction in precision defect engineering, down to a single defect, towards achieving the smallest memristor for applications in ultra-dense memory, neuromorphic computing and radio-frequency communication systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Emergent interface vibrational structure of oxide superlattices

As the length scales of materials decrease, the heterogeneities associated with interfaces become almost as important as the surrounding materials. This has led to extensive studies of emergent electronic and magnetic interface properties in superlattices. However, the interfacial vibrations that affect the phonon-mediated properties, such as thermal conductivity, are measured using macroscopic techniques that lack spatial resolution. Although it is accepted that intrinsic phonons change near boundaries, the physical mechanisms and length scales through which interfacial effects influence materials remain unclear. Here we demonstrate the localized vibrational response of interfaces in strontium titanate–calcium titanate superlattices by combining advanced scanning transmission electron microscopy imaging and spectroscopy, density functional theory calculations and ultrafast optical spectroscopy. Structurally diffuse interfaces that bridge the bounding materials are observed and this local structure creates phonon modes that determine the global response of the superlattice once the spacing of the interfaces approaches the phonon spatial extent. Our results provide direct visualization of the progression of the local atomic structure and interface vibrations as they come to determine the vibrational response of an entire superlattice. Direct observation of such local atomic and vibrational phenomena demonstrates that their spatial extent needs to be quantified to understand macroscopic behaviour. Tailoring interfaces, and knowing their local vibrational response, provides a means of pursuing designer solids with emergent infrared and thermal responses.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Heavy-element production in a compact object merger observed by JWST

The mergers of binary compact objects such as neutron stars and black holes are of central interest to several areas of astrophysics, including as the progenitors of gamma-ray bursts (GRBs), sources of high-frequency gravitational waves (GWs) and likely production sites for heavy-element nucleosynthesis by means of rapid neutron capture (the r -process). Here we present observations of the exceptionally bright GRB 230307A. We show that GRB 230307A belongs to the class of long-duration GRBs associated with compact object mergers and contains a kilonova similar to AT2017gfo, associated with the GW merger GW170817. We obtained James Webb Space Telescope (JWST) mid-infrared imaging and spectroscopy 29 and 61 days after the burst. The spectroscopy shows an emission line at 2.15 microns, which we interpret as tellurium (atomic mass A = 130) and a very red source, emitting most of its light in the mid-infrared owing to the production of lanthanides. These observations demonstrate that nucleosynthesis in GRBs can create r -process elements across a broad atomic mass range and play a central role in heavy-element nucleosynthesis across the Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The bulk motion of gas in the core of the Centaurus galaxy cluster

Galaxy clusters contain vast amounts of hot ionized gas known as the intracluster medium (ICM). In relaxed cluster cores, the radiative cooling time of the ICM is shorter than the age of the cluster. However, the absence of line emission associated with cooling suggests heating mechanisms that offset the cooling, with feedback from active galactic nuclei (AGNs) being the most likely source. Turbulence and bulk motions, such as the oscillating (‘sloshing’) motion of the core gas in the cluster potential well, have also been proposed as mechanisms for heat distribution from the outside of the core. Here we present X-ray spectroscopic observations of the Centaurus galaxy cluster with the X-Ray Imaging and Spectroscopy Mission satellite. We find that the hot gas flows along the line of sight relative to the central galaxy, with velocities from 130 km s −1 to 310 km s −1 within about 30 kpc of the centre. This indicates bulk flow consistent with core gas sloshing. Although the bulk flow may prevent excessive accumulation of cooled gas at the centre, it could distribute the heat injected by the AGN and bring in thermal energy from the surrounding ICM. The velocity dispersion of the gas is found to be only ≲120 km s −1 in the core, even within about 10 kpc of the AGN. This suggests that the influence of the AGN on the surrounding ICM motion is limited in the cluster.

galaxies and clusters↗
DOE OSTI2025

Structured ionized winds shooting out from a quasar at relativistic speeds

Evidence indicates that supermassive black holes (SMBHs) exist at the centres of most galaxies. Their mass correlates with the galactic bulge mass, suggesting a coevolution with their host galaxies, most likely through powerful winds. X-ray observations have detected highly ionized winds outflowing at sub-relativistic speeds from the accretion disks around SMBHs. However, the limited spectral resolution of present X-ray instruments has left the physical structure and location of the winds poorly understood, hindering accurate estimates of their kinetic power. Here, in this study, the first X-Ray Imaging and Spectroscopy Mission (XRISM) observation of the luminous quasar PDS 456 is reported. The high-resolution spectrometer Resolve aboard XRISM enabled the discovery of five discrete velocity components outflowing at 20–30% of the speed of light. This demonstrates that the wind structure is highly inhomogeneous, which probably consists of up to a million clumps. The mass outflow rate is estimated to be 60–300 solar masses per year, with the wind kinetic power exceeding the Eddington luminosity limit. Compared with the galaxy-scale outflows, the kinetic power is more than three orders of magnitude larger, whereas the momentum flux is ten times larger. These estimates disfavour both energy-driven and momentum-driven outflow models. This suggests that such wind activity occurs in less than 10% of the quasar phase and/or that its energy/momentum is not efficiently transferred to the galaxy-scale outflows owing to the clumpiness of the wind and the interstellar medium.

Audard, Marc [Univ. of Geneva, Versoix (Switzerlan↗
DOE OSTI2026

Disentangling multiple gas kinematic drivers in the Perseus galaxy cluster

Galaxy clusters, the Universe’s largest halo structures, are filled with an X-ray-emitting gas with a temperature between 10 million and 100 million degrees. Their evolution is shaped by energetic processes such as feedback from supermassive black holes (SMBHs) and mergers with other cosmic structures. The imprints of these processes on gas kinematics remain largely unknown, restricting our understanding of energy conversion within clusters4. High-resolution spectral mapping with the X-Ray Imaging and Spectroscopy Mission (XRISM) observatory offers a way forward. Here we present XRISM kinematic measurements of the Perseus cluster, radially covering the extent of its cool core. We find direct evidence for at least two dominant drivers of gas motions operating on distinct physical scales: a small-scale driver in the inner approximately 60 kpc, probably associated with the SMBH feedback; and a large-scale driver in the outer core, powered by mergers. This finding suggests that, during the active phase, SMBH feedback drives gas motions, which, if fully dissipated into heat, could have a substantial role in offsetting radiative cooling losses in the Perseus core. Furthermore, our study underscores the necessity of kinematic mapping observations of extended sources to robustly characterize the velocity fields and their role in the evolution of massive halos. It further offers a kinematic diagnostic for SMBH feedback models.

Astronomy and AstroPhysics↗
DOE OSTI2023

Rational design of a genetically encoded NMR zinc sensor

Elucidating the biochemical roles of the essential metal ion, Zn 2+ , motivates detection strategies that are sensitive, selective, quantitative, and minimally invasive in living systems. Fluorescent probes have identified Zn 2+ in cells but complementary approaches employing nuclear magnetic resonance (NMR) are lacking. Recent studies of maltose binding protein (MBP) using ultrasensitive 129 Xe NMR spectroscopy identified a switchable salt bridge which causes slow xenon exchange and elicits strong hyperpolarized 129 Xe chemical exchange saturation transfer (hyper-CEST) NMR contrast. To engineer the first genetically encoded, NMR-active sensor for Zn 2+ , we converted the MBP salt bridge into a Zn 2+ binding site, while preserving the specific xenon binding cavity. The zinc sensor (ZS) at only 1 μM achieved ‘turn-on’ detection of Zn 2+ with pronounced hyper-CEST contrast. This made it possible to determine different Zn 2+ levels in a biological fluid via hyper-CEST. ZS was responsive to low-micromolar Zn 2+ , only modestly responsive to Cu 2+ , and nonresponsive to other biologically important metal ions, according to hyper-CEST NMR spectroscopy and isothermal titration calorimetry (ITC). Protein X-ray crystallography confirmed the identity of the bound Zn 2+ ion using anomalous scattering: Zn 2+ was coordinated with two histidine side chains and three water molecules. Penta-coordinate Zn 2+ forms a hydrogen-bond-mediated gate that controls the Xe exchange rate. Metal ion binding affinity, 129 Xe NMR chemical shift, and exchange rate are tunable parameters via protein engineering, which highlights the potential to develop proteins as selective metal ion sensors for NMR spectroscopy and imaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Imaging conductive nano-domains induced by Gd intercalation in epitaxial bilayer graphene

We report nano-infrared (IR) imaging and spectroscopy of epitaxial bilayer graphene (BLG) on silicon carbide (SiC) partially intercalated with gadolinium (Gd). Gd intercalation produces a high density of nanoscale conducting domains that exhibit pronounced IR enhancement at frequencies above the SiC phonon resonance and pronounced amplitude suppression at the resonance. Both effects originate from the increased local optical conductivity induced by Gd. Quantitative modeling of the nano-IR spectra shows that the conductivity of intercalated regions is enhanced by more than a factor of two relative to pristine BLG. This enhancement is attributed to the electronic decoupling of the graphene layers combined with substantial charge transfer from the intercalated atoms. These results demonstrate that controlled metal intercalation enables spatially resolved tuning of the electronic and optical responses of wafer-scale graphene, providing a versatile platform for graphene-based optoelectronic and nanophotonic applications.

Fralaide, Michael [Ames Laboratory, and Iowa State↗
DOE OSTI2020

TDCOSMO - IV. Hierarchical time-delay cosmography – joint inference of the Hubble constant and galaxy density profiles

The H0LiCOW collaboration inferred via strong gravitational lensing time delays a Hubble constant value of H0 = 73.3−1.8+1.7 km s−1 Mpc−1, describing deflector mass density profiles by either a power-law or stars (constant mass-to-light ratio) plus standard dark matter halos. The mass-sheet transform (MST) that leaves the lensing observables unchanged is considered the dominant source of residual uncertainty in H0. We quantify any potential effect of the MST with a flexible family of mass models, which directly encodes it, and they are hence maximally degenerate with H0. Our calculation is based on a new hierarchical Bayesian approach in which the MST is only constrained by stellar kinematics. The approach is validated on mock lenses, which are generated from hydrodynamic simulations. We first applied the inference to the TDCOSMO sample of seven lenses, six of which are from H0LiCOW, and measured H0 = 74.5−6.1+5.6 km s−1 Mpc−1. Secondly, in order to further constrain the deflector mass density profiles, we added imaging and spectroscopy for a set of 33 strong gravitational lenses from the Sloan Lens ACS (SLACS) sample. For nine of the 33 SLAC lenses, we used resolved kinematics to constrain the stellar anisotropy. From the joint hierarchical analysis of the TDCOSMO+SLACS sample, we measured H0 = 67.4−3.2+4.1 km s−1 Mpc−1. This measurement assumes that the TDCOSMO and SLACS galaxies are drawn from the same parent population. The blind H0LiCOW, TDCOSMO-only and TDCOSMO+SLACS analyses are in mutual statistical agreement. The TDCOSMO+SLACS analysis prefers marginally shallower mass profiles than H0LiCOW or TDCOSMO-only. Without relying on the form of the mass density profile used by H0LiCOW, we achieve a ∼5% measurement of H0. While our new hierarchical analysis does not statistically invalidate the mass profile assumptions by H0LiCOW – and thus the H0 measurement relying on them – it demonstrates the importance of understanding the mass density profile of elliptical galaxies. The uncertainties on H0 derived in this paper can be reduced by physical or observational priors on the form of the mass profile, or by additional data.Key words: gravitational lensing: strong / galaxies: general / galaxies: kinematics and dynamics / distance scale / cosmological parameters / cosmology: observations⋆ The full analysis is available at https://github.com/TDCOSMO/hierarchy_analysis_2020_public.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Stellar populations with MEGARA: The inner regions of NGC 7025

This paper aims to determine the capabilities of the MEGARA spectrograph at the Gran Telescopio Canarias (GTC), which is an optical integral-field unit, for studying stellar populations. We also aim to exploit its combination of high spectral (R ~ 6000, 12 000 and 20 000) and spatial (0.62") resolution within its 12".5 × 11"​​.3 field of view. We do this by analysing the commissioning data of the nearby S0a galaxy NGC 7025. We establish a systematic method through which we can determine the properties of the stellar populations in the observations made with MEGARA, more specifically, within the MEGADES legacy project. For this paper in particular, we determine the properties of the stellar populations of NGC 7025. We used MEGARA observations of galaxy NGC 7025 that were taken during the commissioning phase of the instrument. We applied different approaches to estimate the properties of the stellar populations with the highest possible certainty. In addition to the specific study of NGC 7025 and in the context of the MEGADES survey, we have carried out a number of tests to determine the expected errors (including potential biases) in these star formation history (SFH) derivations as a function of these parameters, namely spectral setup, signal-to-noise ratio, σ, and the SFH itself. All the studies we conduct (both full spectral fitting and absorption line indices) of the stellar populations of NGC 7025 indicate that the stars that form its bulge have supersolar metallicity and considerably old ages (~10 Gyr) in general. Using three different combinations of MEGARA spectral setups, we determined that the bulge of NGC 7025 has smild negative mass-weighted age gradient. For the more detailed SFH, our results indicate that in addition to a rather constant star formation at early epochs, a peak in the formation history of the stars in the bulge is also found 3.5–4.5 Gyr ago. This partly explains the mass-weighted age gradients we measured. The scenario presented in NGC 7025 is that of an isolated galaxy under secular evolution that about 3.5–4.5 Gyr ago likely experienced a minor merger (mass ratio 1/10) that induced an increase in star formation and also perturbed the morphology of its outer disc. In addition to these specific results for NGC 7025, we report different lessons learned for the ongoing exploitation of the MEGADES survey with the GTC, such as the need to obtain combined observations in the LR-B + LR-V setups and a signal-to-noise ratio of at least 20 per Å.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Close AGN Reference Survey (CARS)

Active galactic nuclei (AGN) are thought to be responsible for the suppression of star formation in massive ~10 10 M ⊙ galaxies. While this process is a key feature in numerical simulations of galaxy formation, it has not been unambiguously confirmed in observational studies yet. The characterization of the star formation rate (SFR) in AGN host galaxies is challenging as AGN light contaminates most SFR tracers. Furthermore, the various SFR tracers are sensitive to different timescales of star formation from approximately a few to 100 Myr. We aim to obtain and compare SFR estimates from different tracers for AGN host galaxies in the Close AGN Reference Survey (CARS) to provide new observational insights into the recent SFR history of those systems. We constructed integrated panchromatic spectral energy distributions to measure the far infrared (FIR) luminosity as a tracer for the recent (< 100 Myr) SFR. In addition we used the integral-field unit observation of the CARS targets to employ the Hα luminosity decontaminated by AGN excitation as a proxy for the current (< 5 Myr) SFR. We find that significant differences in specific SFR of the AGN host galaxies as compared with the larger galaxy population disappear once cold gas mass, in addition to stellar mass, is used to predict the SFR for a specific AGN host. Only a tentative trend with the inclination of the host galaxy remains, such that SFR appears slightly lower than expected when the galaxies of unobscured AGN appear more edge-on along our line-of-sight, particular for dust-insensitive FIR-based SFRs. We identify individual galaxies with a significant difference in their SFR which can be related to a recent enhancement or decline in their SFR history that might be related to various processes including interactions, gas consumption, outflows, and AGN feedback. AGN can be present in various stages of galaxy evolution which makes it difficult to relate the SFR solely to the impact of the AGN. Our study shows that stellar mass alone is an insufficient parameter to estimate the expected SFR of an AGN host galaxy compared to the underlying non-AGN galaxy population. We do not find any strong evidence for a global positive or negative AGN feedback in the CARS sample. However, there is tentative evidence that (1) the relative orientation of the AGN engine with respect to the host galaxies might alter the efficiency of AGN feedback and that (2) the recent SFH is an additional tool to identify rapid changes in galaxy growth driven by the AGN or other processes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Galaxy formation with wave/fuzzy dark matter: The core-halo structure and the solitonic imprint

Dark matter-dominated cores have long been claimed for the well-studied local group dwarf galaxies. More recently, extended stellar halos have been uncovered around several of these dwarfs through deeper imaging and spectroscopy. Such core-halo structures (inner flat core and a characteristic r −3 asymptotic outer halo profile) are not a feature of conventional cold dark matter (CDM). In contrast, smooth and prominent dark matter cores are predicted for wave/fuzzy dark matter (ψDM). The question arises as to what extent the visible stellar profiles should reflect this dark matter core structure. Here we compare cosmological hydrodynamical simulations of CDM, “WDM” (model used as a proxy for ψDM) & ψDM, aiming to predict the stellar profiles for these three DM scenarios. We show that cores surrounded by extended halos are distinguishable for ψDM, where the stellar density is enhanced in the core due to the presence of the relatively dense soliton. Our analysis demonstrates that, in our simulations, a distinctive core-halo structure does not appear in the case of CDM in the DM, gas, or stars. Whereas we do find a core-halo transition for DM, gas, and stars for ψDM, and the scale of this transition is in line with the predicted core radius set by the soliton scale anticipated for the adopted boson mass of 2.5×10 −22 eV. The presence of a core-halo structure in the stellar profile for Galaxy 1 for ψDM is visible for the most massive and the first galaxy to form in the simulation. Clearly, further simulations are needed to establish how strict this possible relationship is between the DM and stellar core-halo profile as a potential observational discriminator. Furthermore, we observe the anticipated asymmetry for ψDM due to the soliton's motion (jumping and random walk), a distinctive characteristic not found in the symmetric distributions of stars in the warm and CDM models.

dark matter↗