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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Identification of Suitable Vacuum Gas Oils as Plasticizers Using HT-GC × GC-HRMS

Vacuum gas oils (VGOs) have long been heralded as effective plasticizers due to their high boiling-points and lubricating properties. One of these VGOs, HyVac Oil 93050, is a paraffinic plasticizer that is currently utilized in polymer–plasticizer explosive formulations, while this oil effectively increases the elasticity and decreases the sensitivity for current formulations. We seek to identify alternative VGOs with similar density, viscosity, molecular composition, and impurities for future formulations. In this study, 18 VGOs, including HyVac Oil 93050, were initially evaluated for their density and viscosity. The oils were then ranked based on physical characteristics and analyzed for molecular composition using high-temperature comprehensive two-dimensional gas chromatography with high-resolution time-of-flight mass spectrometry (HT-GC × GC-HRMS). Further, the HT-GC × GC-HRMS chromatograms of the top 10 most similar VGOs to HyVac Oil 93050, according to density, were compared utilizing the Pearson correlation coefficient. Three of the oils with densities similar to those of HyVac Oil 93050 had a Pearson correlation within the lot-to-lot variation of HyVac Oil 93050. For the top 3 candidates, Pearson correlation was then utilized as a feature selection technique to discover significant chemical differences. Positive chemical ionization (PCI) and negative chemical ionization (NCI) HT-GC × GC-HRMS chromatograms were also evaluated and aided in the discovery and identification of several key compounds including additives that acted as stabilizers for the VGOs. After this further chemical analysis, two of the original 17 potential VGOs were determined to be physically and chemically similar to HyVac Oil 93050.

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

Review on Preprocessing Strategies, Deactivation, Thermal Safety, and Future Perspectives in Lithium-Ion Battery Recycling

The rapid growth in the use of lithium-ion batteries (LIBs) in electric vehicles, consumer electronics, and renewable energy storage has made effective end-of-life management essential. Recycling LIBs is critical not only for resource recovery and environmental protection but also for ensuring safety and economic viability. This review focuses on the preprocessing technologies that precede typical recovery processes, including disassembly, sorting, discharging, electrolyte removal, dismantling, thermal treatment, separation, and flotation. These steps play a foundational role in determining the efficiency, safety, and environmental impact of LIB recycling. LIBs pose substantial fire and explosion risks due to residual charge, flammable electrolytes, and reactive materials. The conditions and successive progression of the exothermic reactions which lead to thermal runaway has been discussed. It also explores secure deactivation techniques such as external circuit discharge, saline immersion, and thermomechanical methods, alongside fire prevention strategies including the use of flame retardants, elimination of oxidants, and reduction of heat generation and accumulation. Challenges and future directions are outlined, highlighting the need for standardized designs, automation, and safer, more sustainable recycling infrastructure. Furthermore, this review is distinguished by its focused analysis of preprocessing and deactivation steps, with particular attention to the thermal safety engineering aspects of LIB recycling.

Battery deactivation↗
DOE OSTI2026

Electron–Ion Covariance Reveals Geometry-Resolved Inner-Shell Spectra in CS 2 Photodissociation

The chemical shifts of inner-shell atomic orbitals are highly sensitive to chemical bonding and molecular structure. In evolving systems, however, the spectra of distinct molecular species and geometries overlap, obscuring the underlying chemical dynamics. Here we demonstrate the use of electron–ion covariance analysis to combine the structural sensitivity of Coulomb explosion imaging with inner-shell spectroscopy, yielding geometry-specific spectra of transient and product species. We apply this approach to the excited state dynamics of CS 2 probed by ionization above the S 2p edge. Electron–ion covariance with time- and momentum-selected S + and S 2+ ions isolates distinct S 2p photoelectron spectra for ground-state CS 2 , bent photoexcited CS 2 , the CS photoproduct, and bare atomic sulfur ─ species whose spectra overlap strongly in the channel-averaged measurement. Clear chemical shifts are observed in the covariance photoelectron spectrum for each of these species, all of which are consistent with high-level calculations. Here, by extracting the atomic S contribution to the photoelectron spectrum in a finely time-resolved manner we can disentangle this contribution to the overall time-resolved photoelectron spectrum as the photodissociation proceeds. These results demonstrate the promise of electron–ion covariance as a general approach to geometry-resolved inner-shell spectroscopy, opening a route to tracking structural evolution through chemical shifts in complex photoexcited molecules.

Ionization↗
DOE OSTI2025

Investigation into the Synthesis of Several TATB-Inspired Energetic Materials

The synthesis and characterization of several TATB-inspired energetic materials was explored. Despite their structural similarity to TATB, their behavior toward traditional synthetic pathways deviates significantly from that of the parent material. This change in expected reactivity is discussed and an efficient alternative synthesis is reported. The development of a simple and effective route to these TATB-type compounds opens the door to a potential new class of insensitive high explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Influence of Carbon-Nitride Dot-Emitting Species and Evolution on Fluorescence-Based Sensing and Differentiation

Carbon dots have attracted widespread interest for sensing applications based on their low cost, ease of synthesis, and robust optical properties. We investigate structure–function evolution on multiemitter fluorescence patterns for model carbon-nitride dots (CNDs) and their implications on trace-level sensing. Hydrothermally synthesized CNDs with different reaction times were used to determine how specific functionalities and their corresponding fluorescence signatures respond upon the addition of trace-level analytes. Archetype explosives molecules were chosen as a testbed due to similarities in substituent groups or inductive properties (i.e., electron withdrawing), and solution-based assays were performed using ratiometric fluorescence excitation–emission mapping (EEM). Analyte-specific quenching and enhancement responses were observed in EEM landscapes that varied with the CND reaction time. We then used self-organizing map models to examine EEM feature clustering with specific analytes. Finally, the results reveal that interactions between carbon-nitride frameworks and molecular-like species dictate response characteristics that may be harnessed to tailor sensor development for specific applications.

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

Learning Physically Interpretable Atmospheric Models From Data With WSINDy

The multiscale and turbulent nature of Earth's atmosphere has historically rendered accurate weather modeling a hard problem. Recently, there has been an explosion of interest surrounding data-driven approaches to weather modeling, which in many cases show improved forecasting accuracy and computational efficiency when compared to traditional methods. However, many of the current data-driven approaches employ highly parameterized neural networks, often resulting in uninterpretable models and limited gains in scientific understanding. In this work, we address the interpretability problem by explicitly discovering partial differential equations governing atmospheric phenomena, identifying symbolic mathematical models with direct physical interpretations. The purpose of this paper is to demonstrate that, in particular, the weak-form sparse identification of nonlinear dynamics (WSINDy) algorithm can learn effective atmospheric models from both simulated and assimilated data. Our approach adapts the standard WSINDy algorithm to work with high-dimensional fluid data of arbitrary spatial dimension.

58 GEOSCIENCES↗
DOE OSTI2024

Enhanced production of 60 Fe in massive stars

Massive stars are a major source of chemical elements in the cosmos, ejecting freshly produced nuclei through winds and core-collapse supernova explosions into the interstellar medium. Among the material ejected, long-lived radioisotopes, such as 60 Fe (iron) and 26 Al (aluminum), offer unique signs of active nucleosynthesis in our galaxy. There is a long-standing discrepancy between the observed 60 Fe/ 26 Al ratio by γ-ray telescopes and predictions from supernova models. This discrepancy has been attributed to uncertainties in the nuclear reaction networks producing 60 Fe, and one reaction in particular, the neutron-capture on 59 Fe. Here we present experimental results that provide a strong constraint on this reaction. We use these results to show that the production of 60 Fe in massive stars is higher than previously thought, further increasing the discrepancy between observed and predicted 60 Fe/ 26 Al ratios. The persisting discrepancy can therefore not be attributed to nuclear uncertainties, and points to issues in massive-star models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Group IV topological quantum alloy and the role of short-range order: the case of Ge-rich Ge 1– x Pb x

Despite the explosion of interest in topological materials over the last decades, their applications remain limited due to challenges in growth and incorporation with today’s microelectronics. As a potential bridge to close this gap, we investigate the group-IV alloy Ge 1–x Pb x , in the Ge-rich condition using density functional theory and show that relatively low concentrations of Pb (~9.4%) can lead to a topological phase transition. Furthermore, the calculation of the Z 2 invariant for both the random alloy and the alloy with short-range order (SRO) indicate that the topological phase of the material can be directly modified by the degree of SRO. These findings are understood in terms of local structural relaxation, which decreases the bandgap in the random alloy. However, in the SRO case, the mutual avoidance of Pb leads to minimal structural relaxation, alleviating strain. Our findings not only highlight the emerging importance of SRO in alloy properties but also indicate the possibility of constructing topological interfaces between materials of identical composition (and nominally identical structure). Moreover, they uncover a viable avenue toward the monolithic integration of quantum materials with today’s semiconductor industry.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High pressure suppression of plasticity due to an overabundance of shear embryo formation

Abstract High pressure shear band formation is a critical phenomenon in energetic materials due to its influence on both mechanical strength and mechanochemical activation. While shear banding is known to occur in a variety of these materials, the governing dynamics of the mechanisms are not well defined for molecular crystals. We conduct molecular dynamics simulations of shock wave induced shear band formation in the energetic material 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) to assess shear band nucleation processes. We find, that at high pressures, the initial formation sites for shear bands, “embryos”, form in excess and rapidly lower deviatoric stresses prior to shear band formation and growth. This results in the suppression of plastic deformation. A local cluster analysis is used to quantify and contrast this mechanism with a more typical shear banding seen at lower pressures. These results demonstrate a mechanism that is reversible in nature and that supersedes shear band formation at increased pressures. We anticipate that these results will have a broad impact on the modeling and development of high-strain rate application materials such as those for high explosives and hypersonic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Demonstration of active neutron interrogation of special nuclear materials using a high-intensity short-pulse-laser-driven neutron source

Detecting shielded special nuclear material, such as nuclear explosives, is a difficult challenge pursued by non-proliferation, anti-terrorism, and nuclear security programs worldwide. Interrogation with intense fast-neutron pulses is a promising method to characterize concealed nuclear material rapidly but is limited by suitable source availability and proven instrumentation. In this study we have pioneered a demonstration of such an interrogation method using a high-intensity, short-pulse, laser-driven neutron source that offers potential benefits compared to conventional neutron sources. The measurement results reported here represent the first experimental demonstration of this interrogation approach on enriched uranium items and demonstrate the feasibility of a precise measurement using realistic nuclear materials, representative of field scenarios, even with just a single laser-driven neutron pulse. Bright pulsed sources can overcome the nuisance background of items with strong internal neutron sources, improving analytical power, while single-shot assay is attractive in high-throughput situations where time is at a premium. The science and technology of this type of neutron production is developing rapidly, and we anticipate that practical mobile interrogation systems will become available based on the detection concepts demonstrated here to meet the growing measurement needs.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2026

Characterization of volcanic tuff pores pre- and post-underground nuclear detonation using ultra-small and small angle neutron scattering

The ability to accurately model the subsurface transport of radionuclides is fundamental to the remote detection and characterization of underground nuclear explosion (UNE) events. Developing more sophisticated transport models presents a significant opportunity to enhance monitoring capabilities, particularly in the reliable prediction of signature migration. Experimentally determined characterization of geologic materials associated with transport properties is the pertinent base information for such robust model development and calibration. Here, we report results from an unprecedented study demonstrating changes to the pore and fracture network structures in geological materials in response to UNEs over nanometer to micrometer length scales. Volcanic tuffs of five different lithological formations from pre- and post-UNE environments were collected from the Nevada National Security Site. Combined ultra-small and small-angle neutron scattering techniques were used to characterize the tuff pore structure. The results demonstrate measurable differences in the specific surface area and porosity of samples pre- and post-shot from texturally similar lithological formations, indicating that pore properties can serve as a direct physical signature of a UNE. The results also provide experimentally determined transport parameters in support of advanced model development through the integration of gas migration, hydrodynamic simulations, and geologic framework models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Multiscale drivers of extreme southern California flooding: ENSO, MJO, North Pacific jet, and atmospheric rivers

Extreme rainfall and flooding, driven by a powerful atmospheric river (AR) and a persistent Madden-Julian Oscillation (MJO), hit Southern California in February 2024 during the 2023–2024 El Niño, affecting over 10 million people. ARs are key contributors to extreme rainfall and flooding along the U.S. West Coast. Although the AR-MJO link has been documented, its spatio-temporal variability remains a major forecasting and risk-management challenge. Combining precipitation, stream gauge and demographic data, we quantify the physical drivers and population exposure to this extreme event. Leveraging a Lagrangian MJO precipitation tracking algorithm, we unravel the multiscale interactions responsible for the AR’s development. El Niño favored a large, long-lived MJO that interacted with the North Pacific Jet (NPJ) over more than three weeks. The MJO convective outflow modulated the NPJ by inducing negative potential vorticity advection along the tropopause. The ensuing NPJ extension and acceleration induced explosive cyclogenesis, whose AR-driven moisture transport resulted in extreme rainfall.

Atmospheric dynamics↗
DOE OSTI2026

Single-particle chemical analysis reveals organic-rich detonation soot products

The detonation of high explosives produces a wide variety of particulate matter (PM) with distinct properties, not all of which are traditionally studied for chemical composition, formation processes, and forensic applications. We report particle-resolved measurements of Composition B detonation soot using soot particle aerosol mass spectrometry (SP-AMS), identifying carbonaceous species and metals not previously characterized on a single-particle basis. Results are combined with scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) to enhance source-dependent signatures. Black carbon, including graphitic carbon and detonation nanodiamonds, contributed 50.5-71.4% of PM 2.5 mass, while 22.5-43.4% was non-refractory organic carbon, a previously overlooked component that exhibited a complex and varying composition. Detonations were performed with and without PMMA confinement and under steady and overdriven conditions. Distinct particles enriched with polycyclic aromatic hydrocarbons (PAHs) were observed in experiments utilizing confinement, with quantities dependent on manufacturing method. SEM-EDS validated SP-AMS findings of metals internally mixed with carbonaceous species and extended the particle size range to 100 µm. This work makes detecting non-refractory organics using single-particle techniques more feasible for detonation forensics and understanding high-energy soot formation. While this analysis uses offline sample collection, SP-AMS could be deployed for in-situ measurements of detonation PM 2.5 transported in the atmosphere.

36 MATERIALS SCIENCE↗
DOE OSTI2024

SN 2021adxl: A luminous nearby interacting supernova in an extremely low-metallicity environment

SN 2021adxl is a slowly evolving, luminous, Type IIn supernova with asymmetric emission line profiles, similar to the well-studied SN 2010jl. We present extensive optical, near-ultraviolet, and near-infrared photometry and spectroscopy covering ∼1.5 years post discovery. SN 2021adxl occurred in an unusual environment, atop a vigorously star-forming region that is offset from its host galaxy core. The appearance of Ly α and O II , as well as the compact core, would classify the host of SN 2021adxl as a “Blueberry” galaxy, analogous to higher redshift, low-metallicity, star-forming dwarf “Green Pea” galaxies. Using several abundance indicators, we find a metallicity of the explosion environment of only ∼0.1 Z ⊙ , the lowest reported metallicity for a Type IIn SN environment. SN 2021adxl reaches a peak magnitude of M r ≈ −20.2 mag and since discovery, SN 2021adxl has faded by only ∼4 magnitudes in the r band with a cumulative radiated energy of ∼1.5 × 10 50 erg over 18 months. SN 2021adxl shows strong signs of interaction with a complex circumstellar medium, seen by the detection of X-rays, revealed by the detection of coronal emission lines, and through multi-component hydrogen and helium profiles. In order to further understand this interaction, we model the H α profile using a Monte Carlo electron scattering code. The blueshifted high-velocity component is consistent with emission from a radially thin spherical shell resulting in the broad emission components due to electron scattering. Using the velocity evolution of this emitting shell, we find that the SN ejecta collide with circumstellar material of at least ∼5 M ⊙ assuming a steady-state mass-loss rate of ∼4 − 6 × 10 −3 M ⊙ yr −1 for the first ∼200 days of evolution. SN 2021adxl was last observed to be slowly declining at ∼0.01 mag d −1 , and if this trend continues, SN 2021adxl will remain observable after its current solar conjunction. Continuing the observations of SN 2021adxl may reveal signatures of dust formation or an infrared excess, similar to that seen for SN 2010jl.

Brennan, S. J. (ORCID:0000000313256235)↗
DOE OSTI2024

Early-time γ -ray constraints on cosmic-ray acceleration in the core-collapse SN 2023ixf with the Fermi Large Area Telescope

Context. While supernova remnants (SNRs) have been considered the most relevant Galactic cosmic ray (CR) accelerators for decades, core-collapse supernovae (CCSNe) could accelerate particles during the earliest stages of their evolution and hence contribute to the CR energy budget in the Galaxy. Some SNRs have indeed been associated with TeV γ -rays, yet proton acceleration efficiency during the early stages of an SN expansion remains mostly unconstrained. Aims. The multi-wavelength observation of SN 2023ixf, a Type II supernova (SN) in the nearby galaxy M 101 (at a distance of 6.85 Mpc), opens the possibility to constrain CR acceleration within a few days after the collapse of the red super-giant stellar progenitor. With this work, we intend to provide a phenomenological, quasi-model-independent constraint on the CR acceleration efficiency during this event at photon energies above 100 MeV. Methods. We performed a maximum-likelihood analysis of γ -ray data from the Fermi Large Area Telescope up to one month after the SN explosion. We searched for high-energy, non-thermal emission from its expanding shock, and estimated the underlying hadronic CR energy reservoir assuming a power-law proton distribution consistent with standard diffusive shock acceleration. Results. We do not find significant γ -ray emission from SN 2023ixf. Nonetheless, our non-detection provides the first limit on the energy transferred to the population of hadronic CRs during the very early expansion of a CCSN. Conclusions. Under reasonable assumptions, our limits would imply a maximum efficiency on the CR acceleration of as low as 1%, which is inconsistent with the common estimate of 10% in generic SNe. However, this result is highly dependent on the assumed geometry of the circumstellar medium, and could be relaxed back to 10% by challenging spherical symmetry. Consequently, a more sophisticated, inhomogeneous characterisation of the shock and the progenitor’s environment is required before establishing whether or not Type II SNe are indeed efficient CR accelerators at early times.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The occurrence and impact of carbon-oxygen shell mergers in massive stars

In their final stages before undergoing a core-collapse supernova, massive stars may experience mergers between internal shells where carbon (C) and oxygen (O) are consumed as fuels for nuclear burning. This interaction, known as a C-O shell merger, can dramatically alter the internal structure of the star, leading to peculiar nucleosynthesis and potentially influencing the supernova explosion and the propagation of the subsequent supernova shock. Our understanding of the frequency and consequences of C-O shell mergers remains limited. This study aims to identify, for the first time, early diagnostics in the stellar structure that lead to C-O shell mergers in more advanced stages. We also assess their role in shaping the chemical abundances in the most metal poor stars of the Galaxy. We analyzed a set of 209 stellar evolution models available in the literature, with different initial progenitor masses and metallicities. We then compared the nucleosynthetic yields from a subset of these models with the abundances of odd-Z elements in metal-poor stars. We find that the occurrence of C-O shell mergers in stellar models can be predicted with a good approximation based on the outcomes of the central He burning phase, specifically, from the CO core mass (M CO ) and the 12 C central mass fraction (X C12 ): 90% of models with a C-O merger have X C12 <0.277 and M CO <4.90 M ⊙ , with average values of M CO = 4.02 M ⊙ and X C12 = 0.176. The quantities X C12 and M CO are indirectly affected from several stellar properties, including the initial stellar mass and metallicity. Additionally, we confirm that the Sc-rich and K-rich yields from models with C-O mergers would solve the long-standing underproduction of these elements in massive stars. Our results emphasize the crucial role of C-O shell mergers in enriching the interstellar medium, particularly in the production of odd-Z elements. This highlights the necessity of further investigations to refine their influence on presupernova stellar properties and their broader impact on Galactic chemical evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Exploring the connection between compact object mergers and fast X-ray transients

Context. The connection between compact object mergers and some extragalactic fast X-ray transients (FXRTs) has long been hypothesised but never ultimately established. Aims. In this work, we investigate two FXRTs, the LEIA X-ray Transient LXT 240402A and the Einstein Probe EP 250207b, whose precise positions lie close to nearby (z ≲ 0.1) quiescent galaxies with a negligible probability of chance coincidence, identifying them as particularly promising cases of merger-driven explosions in the local Universe. Methods. We used Chandra to derive accurate localisations for both events and secure otherwise ambiguous associations with their optical counterparts. Deep optical and near-infrared observations with VLT, GTC, and LBT were performed to characterise the surrounding environment and search for kilonova emission, the hallmark of neutron star mergers. Complementary early-time X-ray monitoring with Swift and Einstein Probe was used to constrain the non-thermal afterglow. Results. We find that both FXRTs remain compatible with a compact binary merger progenitor, which produced low-mass ejecta and kilonova emission subdominant to the afterglow. However, alternative explanations such as a distant (z ≳ 1) core-collapse supernova cannot be conclusively ruled out.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

HOLISMOKES XIX

We present imaging and spectroscopic observations of supernova SN 2025wny, associated with the lens candidate PS1 J0716+3821. Photometric monitoring from the Lulin and Maidanak observatories confirms multiple point-like images, consistent with SN 2025wny being strongly lensed by two foreground galaxies. Optical spectroscopy of the brightest image with the Nordic Optical Telescope and the University of Hawaii 88-inch Telescope allowed us to determine the redshift to be z SN = 2.008 ± 0.001, based on narrow absorption lines originating in the interstellar medium of the supernova host galaxy. At this redshift, SN 2025wny shows a very high rest-frame UV flux and broad spectral features even weeks after the explosion, which is consistent with superluminous supernovae of Type I. We find a high ejecta temperature and depressed spectral lines compared to other similar objects. We also measured, for the first time, the redshift of the fainter of the two lens galaxies (the ‘perturber’) to be z p = 0.375 ± 0.001, which is fully consistent with the DESI spectroscopic redshift of the main deflector at z d = 0.3754. Thus, SN 2025wny represents the first confirmed galaxy-scale strongly lensed supernova with time delays likely in the range of days to weeks, as judged from the image separations. This makes SN 2025wny suitable for cosmography, offering a promising new system for independent measurements of the Hubble constant. Following a tradition in the field of strongly lensed supernovae, we give SN 2025wny the nickname SN Winny.

Taubenberger, Stefan↗