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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Satellite Metallicity Enhancement I: Suppressed Star Formation, Stellar Mass Loss, and Enriched Inflow of DESI and EAGLE Galaxies around Massive Clusters

Environmental effects are a primary driver of elevated gas-phase metallicities in galaxies around massive clusters, but the underlying physical mechanisms for this satellite metallicity enhancement (SME) are still unclear. Using the Dark Energy Spectroscopic Instrument (DESI) Data Release 1, we present the first measurement of the average SME as a function of projected cluster-centric distance. The resulting profile reveals three distinct regimes: a steep decline from the cluster center, a plateau near the cluster boundary, and an extended downturn across several cluster radii. Remarkably, the complex shape and amplitude of this observed SME profile are successfully reproduced in the EAGLE cosmological simulation. Drawing insights from EAGLE, we develop a novel satellite chemical evolution model to decompose the observed SME into physical contributions from suppressed star formation, stellar mass loss, and enriched gas inflow. Our analysis shows that continuous accretion of enriched intracluster medium dominates the SME plateau within the cluster virial radius, while mass loss and quenching jointly drive the rapid metallicity decline in the cluster core. Our method disentangles the impacts of three environmental processes on galactic chemical enrichment in the cosmic web, providing a powerful framework for understanding cluster galaxy evolution with current and future spectroscopic surveys.

Lin, Yuanye [Shanghai Jiao Tong U.; Shanghai Jiaot↗
DOE OSTI2024

The R -process Alliance: Fifth Data Release from the Search for R -process-enhanced Metal-poor Stars in the Galactic Halo with the GTC

Understanding the abundance pattern of metal-poor stars and the production of heavy elements through various nucleosynthesis processes offers crucial insights into the chemical evolution of the Milky Way, revealing primary sites and major sources of rapid neutron-capture process (r-process) material in the Universe. In this fifth data release from the R-Process Alliance (RPA), we present the detailed chemical abundances of 41 faint (down to V = 15.8) and extremely metal-poor (down to [Fe/H] = -3.3) halo stars selected from the RPA. We obtained high-resolution spectra for these objects with the HORuS spectrograph on the Gran Telescopio Canarias. We measure the abundances of light, α, Fe-peak, and neutron-capture elements. We report the discovery of five carbon-enhanced metal-poor, one limited-r, three r-I, and four r-II stars, and six Mg-poor stars. We also identify one star of a possible globular cluster origin at an extremely low metallicity at [Fe/H] = -3.0. This adds to the growing evidence of a lower-limit metallicity floor for globular cluster abundances. We use the abundances of Fe-peak elements and the α-elements to investigate the contributions from different nucleosynthesis channels in the progenitor supernovae. We find the distribution of [Mg/Eu] as a function of [Fe/H] to have different enrichment levels, indicating different possible pathways and sites of their production. We also reveal differences in the trends of the neutron-capture element abundances of Sr, Ba, and Eu of various r-I and r-II stars from the RPA data releases, which provide constraints on their nucleosynthesis sites and subsequent evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The aluminium-26 distribution in a cosmological simulation of a Milky Way-type Galaxy

Context . The 1.8 MeV γ -rays corresponding to the decay of the radioactive isotope 26 Al (with a half-life of 0.72 Myr ) have been observed by the SPI detector on the INTEGRAL spacecraft and extensively used as a tracer of star formation and current nucleosynthetic activity in the Milky Way Galaxy. Further information is encoded in the observation related to the higher 26 Al content found in regions of the Galaxy with the highest line-of-sight (LoS) velocity relative to an observer located in the Solar System. However, this feature remains unexplained. Aims . We ran a cosmological “zoom-in” chemodynamical simulation of a Milky Way-type galaxy, including the production and decays of radioactive nuclei in a fully self-consistent way. We then analyzed the results to follow the evolution of 26 Al throughout the lifetime of the simulated galaxy to provide a new method for interpreting the 26 Al observations. Methods . We included the massive star sources of 26 Al in the Galaxy and its radioactive decay into a state-of-the-art galactic chemical evolution model, coupled with cosmological growth and hydrodynamics. This approach allowed us to follow the spatial and temporal evolution of the 26 Al content in the simulated galaxy. Results . Our results are in agreement with the observations with respect to the fact that gas particles in the simulation with relatively higher 26 Al content also have the highest LoS velocities. On the other hand, gas particles with relatively lower 26 Al content (i.e., not bright enough to be observed) generally display the lowest LoS velocities. However, this result is not conclusive because the overall rotational velocity of our simulated galaxy is higher than that observed for cold CO gas in the Milky Way Galaxy. Furthermore, we found no significant correlation between gas temperature, rotational velocity, and 26 Al content at any given radius. We also found the presence of transient 26 Al-rich spots at low LoS velocities and we show that one such spot had been captured by the INTEGRAL/SPI data. Based on our model, we present a prediction for the detection of 1.8 MeV γ -rays by the future COSI mission. We find that according to our model, the new instrument will be able to observe similar 26 Al-emission patterns to those seen by INTEGRAL/SPI.

Wehmeyer, B. (ORCID:0009000254149292)↗
DOE OSTI2024

Elucidating the Transition of 3D Morphological Evolution of Binary Alloys in Molten Salts with Metal Ion Additives

Molten salts serve as effective high-temperature heat transfer fluids and thermal storage media used in a wide range of energy generation and storage facilities, including concentrated solar power plants, molten salt reactors and high-temperature batteries. However, at the salt–metal interfaces, a complex interplay of charge-transfer reactions involving various metal ions, generated either as fission products or through corrosion of structural materials, takes place. Simultaneously, there is a mass transport of ions or atoms within the molten salt and the parent alloys. The precise physical and chemical mechanisms leading to the diverse morphological changes in these materials remain unclear. Here, to address this knowledge gap, this work employed a combination of synchrotron X-ray nanotomography and electron microscopy to study the morphological and chemical evolution of Ni-20Cr in molten KCl-MgCl 2 , while considering the influence of metal ions (Ni 2+ , Ce 3+ , and Eu 3+ ) and variations in salt composition. Our research suggests that the interplay between interfacial diffusivity and reactivity determines the morphological evolution. The summary of the associated mass transport and reaction processes presented in this work is a step forward toward achieving a fundamental comprehension of the interactions between molten salts and alloys. Overall, the findings offer valuable insights for predicting the diverse chemical and structural alterations experienced by alloys in molten salt environments, thus aiding in the development of protective strategies for future applications involving molten salts.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

[C/N] Ages for Red Giants and Their Implications for Galactic Archaeology

Red giants undergo the first dredge-up, a mixing event that creates a connection between their surface [C/N] and their mass and age. We derive a [C/N]–age relationship for red giants calibrated on Apache Point Observatory Galactic Evolution Experiment (APOGEE) DR17 abundances and APOKASC-3 asteroseismic ages. We find that we can use [C/N] to reliably recover asteroseismic ages between 1 and 10 Gyr with average uncertainties of 1.64 Gyr. We find that [C/N] yields concordant ages, with modest offsets, for stars in different evolutionary states. We also find that the [C/N]–birth mass relationship is robust for luminous giants, and argue that this is an advantage over direct asteroseismology for these stars. We use our ages to infer Galactic birth abundance trends in [Fe/H] and [Mg/H] as a function of position in the Galactic disk. We filter out stars with kinematic or chemical properties consistent with migrators and find the number of migrators to be much lower than expected by standard radial migration prescriptions. The remaining population shows weak chemical evolution trends, on the order of 0.01 dex Gyr −1 , over the last 10 Gyr across a wide range of radii.

Roberts, John D. [The Ohio State Univ., Columbus, ↗
DOE OSTI2024

Exploring Cr and molten salt interfacial interactions for molten salt applications

Molten salts play an important role in various energy-related applications such as high-temperature heat transfer fluids and reaction media. However, the extreme molten salt environment causes the degradation of materials, raising safety and sustainability challenges. A fundamental understanding of material–molten salt interfacial evolution is needed. This work studies the transformation of metallic Cr in molten 50/50 mol% KCl–MgCl 2 via multi-modal in situ synchrotron X-ray nano-tomography, diffraction and spectroscopy combined with density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Notably, in addition to the dissolution of Cr in the molten salt to form porous structures, a δ-A15 Cr phase was found to gradually form as a result of the metal–salt interaction. This phase change of Cr is associated with a change in the coordination environment of Cr at the interface. DFT and AIMD simulations provide a basis for understanding the enhanced stability of δ-A15 Cr vs. bcc Cr, by revealing their competitive phase thermodynamics at elevated temperatures and probing the interfacial behavior of the molten salt at relevant facets. This study provides critical insights into the morphological and chemical evolution of metal–molten salt interfaces. Finally, the combination of multimodal synchrotron analysis and atomic simulation also offers an opportunity to explore a broader range of systems critical to energy applications.

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

An Unconventional Dark Radical Chemistry in Dense Molecular Clouds: Directed Gas-Phase Formation of Naphthyl Radicals

The synthetic pathways to aromatic molecules inside photon-shielded dense molecular clouds remain a fundamental, unsolved enigma in astrochemistry and astrophysics, with low-temperature molecular growth routes involving aromatic radicals, such as prototype bicyclic naphthyl (C 10 H 7 • ), implicated as key sources. Here, exploiting crossed molecular beam experiments augmented by electronic structure calculations, unexpected pathways are exposed leading to the gas-phase formation of 1- and 2-naphthyl via barrierless bimolecular reactions of atomic carbon (C) with indene (C 9 H 8 ) and of dicarbon (C 2 ) with styrene (C 8 H 8 ) accompanied by ring expansion and cyclization together with aromatization. These facile routes challenge conventional wisdom that aromatic radicals are formed in deep space solely via “bright” gas-phase photochemistry of their closed-shell polycyclic aromatic hydrocarbon (PAH) precursors. A hitherto disregarded “dark” aromatic radical chemistry with aromatic radicals synthesized via gas-phase reactions offers new concepts on the chemical evolution of the chemistry of dark molecular clouds eventually culminating in the rapid formation of aromatics, fullerenes, and carbonaceous nanostructures.

Aromatic compounds↗
DOE OSTI2024

Lithium Storage Mechanisms and Electrochemical Behavior of a Molybdenum Disulfide Nanoparticle Anode

This study investigates the electrochemical behavior of molybdenum disulfide (MoS 2 ) as an anode in Li-ion batteries, focusing on the extra capacity phenomenon. Employing advanced characterization methods such as in situ and ex situ X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy, the research unravels the complex structural and chemical evolution of MoS 2 throughout its cycling. A key discovery is the identification of a unique Li intercalation mechanism in MoS 2 , leading to the formation of reversible Li x MoS 2 phases that contribute to the extra capacity of the MoS 2 electrode. Density function theory calculations suggest the potential for overlithiation in MoS 2 , predicting Li 5 MoS 2 as the most energetically favorable phase within the lithiation–delithiation process. Additionally, the formation of a Li-rich phase on the surface of Li 4 MoS 2 is considered energetically advantageous. After the first discharge, the battery system engages in two main reactions. One involves operation as a Li-sulfur battery within the carbonate electrolyte, and the other is the reversible intercalation and deintercalation of Li in Li x MoS 2 . The latter reaction contributes to the extra capacity of the battery. The incorporation of reduced graphene oxide as a conductive additive in MoS 2 electrodes notably improves their rate capability and cycling stability.

Lithium Rich Phase↗
DOE OSTI2025

A machine learning framework for accurate and robust analysis of radiation detector pulses

The microscopic properties of atomic nuclei are used to study various scientific questions. They are essential for understanding the fundamental forces of nature and the chemical evolution of the universe. Detecting decay radiation from radioactive nuclei makes it possible to probe these fundamental nuclear properties. Detector waveform traces may contain additional information about the radiation. Generally, advanced signal processing techniques are needed to extract this additional information, often involving fitting the waveform with model response functions using non-linear least-squares optimization with second-order gradient methods. While this is a powerful technique, it is also computationally expensive, leading to slow processing time, which scales with the volume of data. To address this problem, we have developed a machine learning (ML) approach that infers the characteristics of traces from a model detector response function. In particular, we are interested in classifying whether a single recorded trace consists of one or two pulse constituents and estimating the pulse parameters. Furthermore, our proposed ML method can precisely extract the pulses’ parameters, such as energy and timing information, and accurately classify the pulse multiplicity of a trace. Unlike non-learning-based approaches, our ML approach uses neural networks that are significantly faster at inference, as they do not require any optimization during this stage.

Curve fitting↗
DOE OSTI2025

Influence of Gel Formation on the Heterogeneous Oxidation of Organic Aerosol

Recent work has shown that divalent cations can perturb the viscosity and phase state of oxygenated organic particles in unexpected ways, sometimes leading to the formation of gel states. Despite the prevalence of divalent cations and oxygenated organic molecules in atmospheric aerosol, particularly in marine environments, the influence of gel states on the reaction rates is not well established. Here, in this work, we measure and compare the impact of viscosity and gel formation on the ozonolysis chemistry of aerosol particles containing the unsaturated, oxygenated organic species ascorbic acid (AA). AA serves as an excellent proxy compound for highly oxidized molecules in the atmosphere. We measured the hygroscopic growth, phase state, viscosity, and water diffusion rate in binary particles containing AA and water and in ternary particles with an additional co-solute of either ammonium sulfate or CaCl 2 . These measurements reveal gel formation in particles mixed with CaCl 2 , as particles become rigid but allow for relatively rapid diffusion rates of water, consistent with previous observations of gel behavior. We measured the rate of ozonolysis of these particles under a range of relative humidity (RH) conditions, showing a clear decrease in the rate with decreasing RH, consistent with the increase in viscosity and slowed diffusion. Notably, we measured the rate of ozonolysis of particles existing in a gel state, showing that following an initial period of decay, the rate of reaction arrests, indicating that the organic material in the solid state is protected from the reaction. This work shows that viscous particles and gel particles exhibit different reactivity toward heterogeneous oxidants, with significant implications for how we understand the chemical evolution of aerosol particles in the atmosphere.

gels↗
DOE OSTI2025

Probing the Surface Chemistry of Lithium Nitridation

Chemical synthesis of Li 3 N through lithium nitridation has potential to advance rechargeable battery and nitrogen fixation technology. However, studies of the conditions for forming Li 3 N on the lithium surface via nitrogen gas exposure report contradictory findings, such as the spontaneous reaction of Li with pure N 2 , the impossibility of forming Li 3 N through pure Li and N 2 interaction, the requirement of trace H 2 O to catalyze the reaction, and evidence to the contrary. In this study, ambient pressure X-ray photoelectron spectroscopy (APXPS) was applied to evaluate the in situ chemical evolution of the lithium metal surface under nitrogen gas up to 800 mTorr. At pressures ≤10 mTorr, no Li 3 N was detected. At higher pressures, surface Li 3 N rapidly reacts with trace CO 2 . Additionally, because metallic lithium is readily oxidized by trace gases, the atomic nitrogen concentration of the lithium surface remains below 2%. When nitridation follows oxidation by O 2 gas, CO 2 gas, or H 2 O vapor, surface Li 3 N formation is inhibited. These results suggest that nitrogen gas can diffuse through the oxidized lithium metal surface to react with subsurface metallic lithium.

Binding energy↗
DOE OSTI2024

High-temperature 205 Tl decay clarifies 205 Pb dating in early Solar System

Radioactive nuclei with lifetimes on the order of millions of years can reveal the formation history of the Sun and active nucleosynthesis occurring at the time and place of its birth. Among such nuclei whose decay signatures are found in the oldest meteorites, 205 Pb is a powerful example, as it is produced exclusively by slow neutron captures (the s process), with most being synthesized in asymptotic giant branch (AGB) stars. However, making accurate abundance predictions for 205 Pb has so far been impossible because the weak decay rates of 205 Pb and 205 Tl are very uncertain at stellar temperatures. To constrain these decay rates, we measured for the first time the bound-state β - decay of fully ionized 205 Tl 81+ , an exotic decay mode that only occurs in highly charged ions. The measured half-life is 4.7 times longer than the previous theoretical estimate and our 10% experimental uncertainty has eliminated the main nuclear-physics limitation. With new, experimentally backed decay rates, we used AGB stellar models to calculate 205 Pb yields. Propagating those yields with basic galactic chemical evolution (GCE) and comparing with the 205 Pb/ 204 Pb ratio from meteorites, we determined the isolation time of solar material inside its parent molecular cloud. We find positive isolation times that are consistent with the other s-process short-lived radioactive nuclei found in the early Solar System. Our results reaffirm the site of the Sun’s birth as a long-lived, giant molecular cloud and support the use of the 205 Pb– 205 Tl decay system as a chronometer in the early Solar System.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Decoupling first-cycle capacity loss mechanisms in sulfide solid-state batteries

Solid-state batteries (SSBs) promise more energy-dense storage than liquid electrolyte lithium-ion batteries (LIBs). However, first-cycle capacity loss is higher in SSBs than in LIBs due to interfacial reactions. The chemical evolution of key interfaces in SSBs has been extensively characterized. Electrochemically, however, we lack a versatile strategy for quantifying the reversibility of solid electrolyte (SE) redox for established and next-generation SSB electrolytes. In this work, we perform tailored electrochemical tests and operando X-ray diffraction to disentangle reversible and irreversible sources of capacity loss in positive electrodes composed of Li 6 PS 5 Cl SE, Li(Ni 0.5 Mn 0.3 Co 0.2 )O 2 (NMC), and carbon conductive additives. We leverage an atypically low voltage cutoff (2.0 V vs. Li/Li + ) to quantify the reversibility of SE redox. Using slow (5.5 mA g NMC −1 ) cycling paired with >100 h low-voltage holds, our cells achieve a surprising 96.2% first-cycle coulombic efficiency, which is higher than previously reported (mean: 72%, maximum: 91.6% across surveyed literature). We clarify that sluggish NMC relithiation kinetics have been historically mistaken for permanently irreversible capacity loss. In conclusion, through systematic decoupling of loss mechanisms, we uncover the unexpected reversibility of SE redox and isolate the major contributors to capacity loss, outlining a strategy for accurate assessment of next-generation SE materials and interface modifications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Operando Freezing Cryogenic Electron Microscopy of Active Battery Materials

Abstract Understanding structural and chemical evolution of battery materials during operation is critical to achieving safe, efficient, and long-lasting energy storage. Cryogenic electron microscopy (cryo-EM) has become a valuable tool in battery characterization, leveraging low temperatures to improve stability of sensitive materials under electron beam irradiation. However, typical cryo-EM sample preparations leave extended time between the electrochemical point of interest and ex situ freezing of samples, during which active structures may relax, degrade, or otherwise evolve. Here, we detail a method for operando freezing cryo-EM to preserve and characterize native electrode and interfacial structures that arise during battery cycling, based on an operando plunge freezer and cold sample removal process. We validate the method on multiple electrode materials and quantify and discuss the freezing rate achieved. Operando freezing cryo-EM can be used to directly visualize transient features that arise at active electrochemical interfaces, to enable deeper understanding of structural evolution and interfacial chemistry in batteries and other electrochemical systems.

25 ENERGY STORAGE↗
DOE OSTI2025

QUOKKA-based understanding of outflows (QED) – III. Outflow loading and phase structure as a function of galactic environment

ABSTRACT We present results from a suite of 3D high-resolution hydrodynamic simulations of supernova-driven outflows from galactic disc regions with a range of gas surface density, metallicity, and supernova scale height. We use this suite to quantify how outflow properties – particularly the loading factors for mass, metallicity, and energy – vary with these parameters. We find that the winds fall into three broad categories: steady and hot, multiphase and moderately bursty, and cool and highly bursty. The first of these is characterized by efficient metal and energy loading but weak mass loading, the second by moderate loading of mass, metals, and energy, and the third by negligible metal and energy loading but substantial mass loading. The most important factor in determining the kind of wind a galaxy will produce is the ratio of supernova to gas scale heights, with the latter set by a combination of supernova rate, metallicity-dependent cooling rate, and the gravitational potential. These often combine in counterintuitive ways – for example increased cooling causes cold clouds to sink into the galactic midplane more rapidly, lowering the volume-filling factor of dense gas and making the environment more favourable for strong winds. Our findings suggest that the nature of galactic winds is likely highly sensitive to phenomena such as runaway stars occurring at a large height and dense gas and are poorly captured in most simulations, and that metal loading factors for type Ia supernovae may be substantially larger than those for type II, with important implications for galactic chemical evolution.

Vijayan, Aditi (ORCID:0000000277142379)↗
DOE OSTI2025

Protracted core formation and impact disruptions shaped the earliest outer Solar System planetesimals

The distinct compositions of metallic cores from noncarbonaceous (NC) and carbonaceous (CC) iron meteorite parent bodies (IMPBs) reflect differences in accretion and differentiation histories of earliest inner and outer Solar System planetesimals. Compared to NC IMPBs, CC IMPBs have smaller, sulfur (S)–poor, highly siderophile element (HSE)–enriched cores and younger core formation ages. However, the origins of these differences remain debated. Using equilibrium partitioning models between the S-poor solid and the S-rich liquid metal, we argue that HSE enrichment in IID, IIF, IIIF, and IVB cores resulted from a multistage evolutionary sequence: (i) segregation of S-rich, HSE-depleted protocores during initial planetesimal heating; (ii) collisional disruption before S-poor metal segregation; (iii) reaccretion of mantle fragments into daughter planetesimals; and (iv) further 26 Al-driven heating producing HSE-enriched, S-poor cores. We suggest that iron meteorites from these CC IMPBs originate from such second-generation cores. Accounting for “missing” S-rich protocores helps reconcile several NC-CC IMPB differences and highlights the role of early collisional processing in shaping planetesimal chemical evolution.

Geosciences↗
DOE OSTI2025

Elucidating Sodium-Sulfur Battery Chemistry using Operando Transmission X-ray Microscopy and X-ray Absorption Spectroscopy

Room-temperature sodium-sulfur (Na-S) batteries offer a beneficial and cost-effective solution for powering modern electric grids and devices. However, Na-S batteries suffer from performance decay during battery cycling due to the sluggish kinetics and polysulfide shuttling. Revealing the conversion mechanism of the Na-S chemistry is critical to designing high-capacity and stable Na-S batteries. In this study, we employed operando X-ray microscopy and operando X-ray absorption spectroscopy to elucidate the sulfur conversion in a carbon host using an ether-based electrolyte. We reveal the structural and chemical evolution of the sulfur cathode during cycling, which results in volume expansion and the dissolution of active material, ultimately affecting the battery performance. Our work provides fundamental insight into the sulfur reaction scheme, addressing the lingering challenges before establishing inexpensive Na-S batteries for broad applications, including portable electronics and large-scale energy storage.

Jagadeesan, Sathya Narayanan [SLAC National Accele↗
DOE OSTI2025

Steady state radiolysis–polyhalide accumulation products [Poster]

The study of steady-state radiolysis of polyhalides is crucial as it simulates the prolonged radiation exposure that materials (e.g., alloys, molten salts) experience in reactor environments. This research provides valuable insights into the long-term effects on material properties, chemical stability, and structural integrity. It is closely linked with fundamental radiation chemistry, which aids in predicting the chemical behavior of accumulation products. Understanding the initial speciation, yield, and chemical evolution of radiolysis products is essential for managing material degradation, controlling corrosion, and ensuring reactor safety.

36 - MATERIALS SCIENCE↗