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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces

Experiments and theory are combined to search for catalyst activity and stability descriptors for the direct reactive capture and conversion (RCC) of CO 2 in ammonia capture solutions using Cu, Ag, Au, Sn, and Ti electrodes. Two major phenomena emerge in RCC that are not predominant in the electrochemical CO 2 reduction (CO 2 R) reaction, namely, the rapid corrosion and restructuring of the catalyst in the presence of the CO 2 -ammonia adducts and the promotion of the competing hydrogen evolution reaction (HER). The prevalence of HER in RCC is correlated to the electrostatic attraction of the protonated amine to the electrode and the repulsion of the captured CO 2 , using the potential of zero charge (PZC). The stability of catalysts under RCC conditions is a function of the applied potential and cannot be readily predicted using binding energy descriptors commonly used in the prediction of CO 2 R activity. Finally, a direct correlation between calculated binding energies of CO 2 R intermediates, atomic oxygen, hydrogen, and ammonia and the activity and stability of transition metals for RCC cannot be found, highlighting the need for descriptors beyond those known for CO 2 R.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Geochemical-hydromechanical couplings during water-serpentinized harzburgite interactions at 20° C and 30 bars

Interaction of groundwater with the serpentinized harzburgites of the upper mantle plays an important role in the geologic carbon cycle and serpentinization processes. Here, in this study, an intact serpentinized harzburgite with more than 60% lizardite from the Semail ophiolite in Oman was reacted with water at near neutral pH and low PCO 2 to observe its dissolution behavior and reaction path within the CaO-MgO-SiO 2 -CO 2 -H 2 O system at 20 °C and 30 bars. In the experiment, mass (i.e. H 2 O, ions) transfer is by diffusion and the selected temperature and pressure conditions mimic water-rock interactions at the shallow portions of most ultramafic rock hosted aquifers. Equilibrium activity-activity diagrams and thermodynamic data were used to compare the experimentally determined reaction path with the theoretical stability boundaries for minerals involved to investigate the evolution of bulk chemical composition, mineralogy, and water composition. The experiments demonstrated that (i) the water-rock interactions increased the pH of the aqueous phase from 5.9 to 7.5 over a period of 18 weeks; (ii) the dissolution of lizardite, orthopyroxene (enstatite), and clinopyroxene (diopside and augite) increased the concentration of Mg, Ca, and Si in the aqueous phase; (iii) the dissolution was incongruent with respect to Mg and Si, favoring Si release at pH > 6 due to (a) breaking of more reactive cation‑oxygen bonds that is consistent with the stoichiometry of magnesium for proton exchange reaction which favors a surface that is enriched in Mg at basic conditions, and (b) preferential dissolution of clinopyroxene Mg 1.30 Ca 0.52 Fe 0.06 Si 2 O 6 ; (iv) the aqueous phase was undersaturated with respect to carbonate (e.g. calcite, magnesite, and hydromagnesite) and hydrous (e.g. lizardite, chrysotile, brucite, and talc) minerals; (v) the bulk chemical composition and mineralogy of the intact serpentinized harzburgite matrix did not change; (vi) the thermodynamic data can successfully predict water-intact serpentinized harzburgite behavior if the water chemical composition can be constrained; and (vii) no detectable macroscopic form of damage (e.g. microcracks forming as a result of differential stress fields due to changes in volume during chemical reaction) was observed.

Carbonation↗
DOE OSTI2024

Viral niche-partitioning: comparative genomics of giant viruses across environmental gradients in a high Arctic freshwater-saltwater lake

Giant viruses (GVs; Nucleocytoviricota) impact the biology and ecology of a wide range of eukaryotic hosts, with implications for global biogeochemical cycles. Here, we investigated GV niche separation in highly stratified Lake A at the northern coast of Ellesmere Island, Nunavut, Canada. This lake is composed of a layer of ice-covered freshwater that overlies saltwater derived from the ancient Arctic Ocean, and it therefore provides a broad gradient of environmental conditions and ecological habitats, each with a distinct protist community and rich assemblages of associated GVs. The upper layer (mixolimnion) had measurable light and oxygen, and contained diverse GVs linked to photosynthetic protists, indicating adaptation to surface biotic and abiotic conditions. In contrast, the saline lower layer (monimolimnion), lacking oxygen and light, hosted GVs associated with predicted heterotrophic protists, some of which are known for a predatory lifestyle, and with several viral genes suggesting adaptation to deep-water anaerobic conditions. Our observations underscore the coupling between physical and chemical gradients, microeukaryotes and their associated GVs in Lake A, and provide insight into the potential for GVs to directly and indirectly impact host metabolism. There were similarities between the genetic composition of GVs and the metabolic processes of their potential hosts, implying co-evolution and niche-adaptation within the lake habitats. Notably, we found a greater presence of viral rhodopsins in deeper water layers, suggesting an evolutionary relationship with potential hosts capable of supplementing their energetic needs to thrive in low energy, anoxic conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

ALD-Derived WO 3– x Leads to Nearly Wake-Up-Free Ferroelectric Hf 0.5 Zr 0.5 O 2 at Elevated Temperatures

Breaking the memory wall in advanced computing architectures will require complex 3D integration of emerging memory materials such as ferroelectrics─either within the back-end-of-line (BEOL) of CMOS front-end processes or through advanced 3D packaging technologies. Achieving this integration demands that memory materials exhibit high thermal resilience, with the capability to operate reliably at elevated temperatures, such as 125°C, due to the substantial heat generated by front-end transistors. However, silicon-compatible HfO 2 -based ferroelectrics tend to exhibit antiferroelectric-like behavior in this temperature range, accompanied by a more pronounced wake-up effect, posing significant challenges to their thermal reliability. Here, we report that by introducing a thin tungsten oxide (WO 3–x ) layer─known as an oxygen reservoir─and carefully tuning its oxygen content, ultrathin Hf 0.5 Zr 0.5 O 2 (5 nm) films can be made robust against the ferroelectric-to-antiferroelectric transition at elevated temperatures. This approach not only minimizes polarization loss in the pristine state but also effectively suppresses the wake-up effect, reducing the required wake-up cycles from 10 5 to only 10 at 125°C, a qualifying temperature for back-end memory integrated with front-end logic, as defined by the JEDEC standard. First-principles density functional theory (DFT) calculations reveal that WO 3 enhances the stability of the ferroelectric orthorhombic phase (o-phase) at elevated temperatures by increasing the tetragonal-to-orthorhombic phase energy gap and promoting favorable phonon mode evolution, thereby supporting o-phase formation under both thermodynamic and kinetic constraints.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Results of a Geant4 benchmarking study for bio‐medical applications, performed with the G4‐Med system

Geant4, a Monte Carlo Simulation Toolkit extensively used in bio-medical physics, is in continuous evolution to include newest research findings to improve its accuracy and to respond to the evolving needs of a very diverse user community. In 2014, the G4-Med benchmarking system was born from the effort of the Geant4 Medical Simulation Benchmarking Group, to benchmark and monitor the evolution of Geant4 for medical physics applications. The G4-Med system was first described in our Medical Physics Special Report published in 2021. Results of the tests were reported for Geant4 10.5. Purpose In this work, we describe the evolution of the G4-Med benchmarking system. Methods The G4-Med benchmarking suite currently includes 23 tests, which benchmark Geant4 from the calculation of basic physical quantities to the simulation of more clinically relevant set-ups. New tests concern the benchmarking of Geant4-DNA physics and chemistry components for regression testing purposes, dosimetry for brachytherapy with a 125 I source, dosimetry for external x-ray and electron FLASH radiotherapy, experimental microdosimetry for proton therapy, and in vivo PET for carbon and oxygen beams. Regression testing has been performed between Geant4 10.5 and 11.1. Finally, a simple Geant4 simulation has been developed and used to compare Geant4 EM physics constructors and physics lists in terms of execution times. Results In summary, our EM tests show that the parameters of the multiple scattering in the Geant4 EM constructor G4EmStandardPhysics_option3 in Geant4 11.1, while improving the modeling of the electron backscattering in high atomic number targets, are not adequate for dosimetry for clinical x-ray and electron beams. Therefore, these parameters have been reverted back to those of Geant4 10.5 in Geant4 11.2.1. The x-ray radiotherapy test shows significant differences in the modeling of the bremsstrahlung process, especially between G4EmPenelopePhysics and the other constructors under study (G4EmLivermorePhysics, G4EmStandardPhysics_option3, and G4EmStandardPhysics_option4). These differences will be studied in an in-depth investigation within our Group. Improvement in Geant4 11.1 has been observed for the modeling of the proton and carbon ion Bragg peak with energies of clinical interest, thanks to the adoption of ICRU90 to calculate the low energy proton stopping powers in water and of the Linhard–Sorensen ion model, available in Geant4 since version 11.0. Nuclear fragmentation tests of interest for carbon ion therapy show differences between Geant4 10.5 and 11.1 in terms of fragment yields. In particular, a higher production of boron fragments is observed with Geant4 11.1, leading to a better agreement with reference data for this fragment. Conclusions Based on the overall results of our tests, we recommend to use G4EmStandardPhysics_option4 as EM constructor and QGSP_BIC_HP with G4EmStandardPhysics_option4, for hadrontherapy applications. The Geant4-DNA physics lists report differences in modeling electron interactions in water, however, the tests have a pure regression testing purpose so no recommendation can be formulated.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Evidence for Evolved Stellar Binary Mergers in Observed B-type Blue Supergiants

Blue supergiants are the brightest stars in their host galaxies, and yet their evolutionary status has been a long-standing problem in stellar astrophysics. In this pioneering work, we present a large sample of 59 early B-type supergiants in the Large Magellanic Cloud with newly derived stellar parameters and identify the signatures of stars born from binary mergers among them. We simulate novel 1D merger models of binaries consisting of post main-sequence giants with helium-rich cores (primaries) and main-sequence companions (secondaries), and consider the effects of interaction of the secondary with the core of the primary along with the mixing induced by the merger in the envelope. Thereafter, the evolution of the newborn 17–43 M ⊙ stars is followed until core-carbon depletion, close to their final pre-explosion stage. Unlike stars born alone with comparable masses, stars born from mergers of evolved binaries are blue throughout their core helium-burning phase and replicate the surface gravities and Hertzsprung–Russell diagram positions of most of our sample, thus indicating that B-type supergiants structurally resemble stars born from such mergers. Moreover, the large nitrogen-to-carbon and nitrogen-to-oxygen number ratios, coupled with helium enhancements exhibited by at least half our data sample, is uniquely reproduced by our merger models. Collectively, these findings provide compelling evidence toward the important role of binary mergers in producing the currently observed population of blue supergiants in our Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Influence of elevated temperature and oxygen on the capture of radioactive iodine by silver functionalized silica aerogel

Reprocessing is considered a competent strategy for spent nuclear fuel management, yet radioiodine ( 129 I) is emitted in reprocessing off-gas as a hazardous byproduct. Silver functionalized silica aerogel (Ag 0 -aerogel), a promising iodine capture material, experiences a reduction in its capacity after prolonged exposure to off-gas components at elevated temperatures, a phenomenon termed as aging. To fully understand this process, we isolated the contribution of each aging factor, exposing Ag 0 -aerogel samples to N 2 and dry air gas streams, respectively, at 150 °C for different time periods. Aged samples were loaded with I 2 to examine the capacity change and comprehensively characterized to investigate the evolution of their properties. Results show that temperature alone did not alter Ag 0 -aerogel's capacity but triggered Ag 0 nanoparticles sintering and generated organic sulfur species. The presence of O 2 reduced the capacity by ~20 %, causing (i) formation of silver sulfide (Ag 2 S) crystals and (ii) oxidation of Ag-thiolate (Ag-S-r) to Ag sulfonate (Ag-SO 3 -r). Given that Ag 2 S readily adsorbs I 2 , the formation of Ag-SO 3 -r is the major inhibitor for iodine adsorption. This hypothesis was supported by density functional theory (DFT) simulations. These findings unraveled key mechanisms of Ag 0 -aerogel aging, which are useful in the development of materials that withstand realistic spent-nuclear-fuel-reprocessing off-gas conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Synthetic Access to a Framework-Stabilized and Fully Sulfided Analogue of an Anderson Polyoxometalate that is Catalytically Competent for Reduction Reactions

Polyoxometalates (POMs) featuring 7, 12, 18, or more redox-accessible transition metal ions are ubiquitous as selective catalysts, especially for oxidation reactions. The corresponding synthetic and catalytic chemistry of stable, discrete, capping-ligand-free polythiometalates (PTMs), which could be especially attractive for reduction reactions, is much less well developed. Among the challenges are the propensity of PTMs to agglomerate and the tendency for agglomeration to block reactant access of catalyst active sites. Nevertheless, the pervasive presence of transition metal sulfur clusters metalloenzymes or cofactors that catalyze reduction reactions and the justifiable proliferation of studies of two-dimensional (2D) metal-chalcogenides as reduction catalysts point to the promise of well-defined and controllable PTMs as reduction catalysts. Here, we report the fabrication of agglomeration-immune, reactant-accessible, capping-ligand-free Co II Mo 6 IV S 24 n– clusters as periodic arrays in a water-stable, hierarchically porous Zr-metal–organic framework (MOF; NU1K) by first installing a disk-like Anderson polyoxometalate, Co III Mo 6 VI O 24 m– , in size-matched micropores where the siting is established via difference electron density (DED) X-ray diffraction (XRD) experiments. Flowing H 2 S, while heating, reduces molybdenum(VI) ions to Mo(IV) and quantitatively replaces oxygen anions with sulfur anions (S 2– , HS – , S 2 2– ). DED maps show that MOF-templated POM-to-PTM conversion leaves clusters individually isolated in open-channel-connected micropores. Importantly, the structure of the immobilized cluster as determined, in part, by X-ray photoelectron spectroscopy (XPS), X-ray absorption fine structure (XAFS) analysis, and pair distribution function (PDF) analysis of total X-ray scattering agrees well with the theoretically simulated structure. PTM@MOF displays both electrocatalytic and photocatalytic competency for hydrogen evolution. Nevertheless, the initially installed PTM appears to be a precatalyst, gaining competency only after the loss of ~3 to 6 sulfurs and exposure to hydride-forming metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Simulations of ocean deoxygenation in the historical era: insights from forced and coupled models

Ocean deoxygenation due to anthropogenic warming represents a major threat to marine ecosystems and fisheries. Challenges remain in simulating the modern observed changes in the dissolved oxygen (O 2 ). Here, we present an analysis of upper ocean (0-700m) deoxygenation in recent decades from a suite of the Coupled Model Intercomparison Project phase 6 (CMIP6) ocean biogeochemical simulations. The physics and biogeochemical simulations include both ocean-only (the Ocean Model Intercomparison Project Phase 1 and 2, OMIP1 and OMIP2) and coupled Earth system (CMIP6 Historical) configurations. We examine simulated changes in the O 2 inventory and ocean heat content (OHC) over the past 5 decades across models. The models simulate spatially divergent evolution of O 2 trends over the past 5 decades. The trend (multi-model mean and spread) for upper ocean global O 2 inventory for each of the MIP simulations over the past 5 decades is 0.03 ± 0.39×10 14 [mol/decade] for OMIP1, -0.37 ± 0.15×10 14 [mol/decade] for OMIP2, and -1.06 ± 0.68×10 14 [mol/decade] for CMIP6 Historical, respectively. The trend in the upper ocean global O2 inventory for the latest observations based on the World Ocean Database 2018 is -0.98×10 14 [mol/decade], in line with the CMIP6 Historical multi-model mean, though this recent observations-based trend estimate is weaker than previously reported trends. A comparison across ocean-only simulations from OMIP1 and OMIP2 suggests that differences in atmospheric forcing such as surface wind explain the simulated divergence across configurations in O 2 inventory changes. Additionally, a comparison of coupled model simulations from the CMIP6 Historical configuration indicates that differences in background mean states due to differences in spin-up duration and equilibrium states result in substantial differences in the climate change response of O 2 . Finally, we discuss gaps and uncertainties in both ocean biogeochemical simulations and observations and explore possible future coordinated ocean biogeochemistry simulations to fill in gaps and unravel the mechanisms controlling the O 2 changes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Going around the Kok cycle of the water oxidation reaction with femtosecond X-ray crystallography

The water oxidation reaction in photosystem II (PS II) produces most of the molecular oxygen in the atmosphere, which sustains life on Earth, and in this process releases four electrons and four protons that drive the downstream process of CO 2 fixation in the photosynthetic apparatus. The catalytic center of PS II is an oxygen-bridged Mn 4 Ca complex (Mn 4 CaO 5 ) which is progressively oxidized upon the absorption of light by the chlorophyll of the PS II reaction center, and the accumulation of four oxidative equivalents in the catalytic center results in the oxidation of two waters to dioxygen in the last step. The recent emergence of X-ray free-electron lasers (XFELs) with intense femtosecond X-ray pulses has opened up opportunities to visualize this reaction in PS II as it proceeds through the catalytic cycle. In this review, we summarize our recent studies of the catalytic reaction in PS II by following the structural changes along the reaction pathway via room-temperature X-ray crystallography using XFELs. The evolution of the electron density changes at the Mn complex reveals notable structural changes, including the insertion of O X from a new water molecule, which disappears on completion of the reaction, implicating it in the O—O bond formation reaction. We were also able to follow the structural dynamics of the protein coordinating with the catalytic complex and of channels within the protein that are important for substrate and product transport, revealing well orchestrated conformational changes in response to the electronic changes at the Mn 4 Ca cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Multi-scale investigation of heterogeneous swift heavy ion tracks in stannate pyrochlore

Er 2 Sn 2 O 7 pyrochlore was irradiated with swift heavy Au ions (2.2 GeV), and the induced structural modifications were systematically examined using complementary characterization techniques including transmission electron microscopy (TEM), X-ray diffraction (XRD), and neutron total scattering with pair distribution function (PDF) analysis. Each technique probes different aspects and length scales of the transformed material regions. TEM revealed a core–shell ion track structure—an amorphous core surrounded by a disordered, anion-deficient fluorite shell—which was confirmed by XRD. Neutron total scattering, with sensitivity to the oxygen sublattice, provided relative fractions of amorphous and disordered fluorite phases and confirmed the presence of a defective pyrochlore phase, which largely maintains its structural ordering but is clearly distinct from the pristine pyrochlore matrix. This defect-rich pyrochlore phase forms a halo extending radially beyond the well-characterized core–shell track morphology observed in electron micrographs. Despite their differing long-range periodicity, the short-range structures of the amorphous, disordered, and defective pyrochlore phases are all modeled well with a weberite-type configuration. Evolution of the phase fractions with increasing ion fluence was examined to ascertain the phase-to-phase pathways that occur during primary and secondary ion impact. Furthermore, this approach extends knowledge about the multi-scale response of stannate pyrochlores to swift heavy ion irradiation in the electronic energy loss regime and improves existing track-overlap models.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An Atomic-Scale Understanding of UO 2 Surface Evolution during Anoxic Dissolution

Our present understanding of surface dissolution of nuclear fuels such as uranium dioxide (UO 2 ) is limited by the use of non-local characterization techniques. In this paper, we discuss the use of state-of-the-art scanning transmission electron microscopy (STEM) to reveal atomic–scale changes occurring to UO 2 thin films subjected to anoxic dissolution in deionised water. No amorphisation of the UO 2 film surface during dissolution is observed, and dissolution occurs preferentially at surface reactive sites that present as surface pits which increase in size as the dissolution proceeds. Using a combination of STEM imaging modes, energy-dispersive X-ray spectroscopy (STEM-EDS), and electron energy loss spectroscopy (STEM-EELS), we investigate structural defects and oxygen passivation of the surface that originates from the filling of the octahedral interstitial site in the centre of the unit cells and its associated lattice contraction. Taken together, our results reveal complex pathways for both the dissolution and infiltration of solutions into UO 2 surfaces.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Arp 58 and Arp 68: two M 51-type systems

ABSTRACT We study two M 51-type systems Arp 68 and Arp 58, which strongly differ by their stellar masses, gas content, and environment. Long-slit spectral observations obtained at the Russian 6-m telescope were used to trace the distributions of a line-of-sight (LOS) velocity and a gas-phase oxygen abundance along the spectral cuts. Two systems are compared by their observed properties. We found a very strong large-scale non-circular motion of gas in both systems and a kpc-size saw-edged velocity profile along the tidal spiral arm of Arp 68, probably caused by the gas outflow due to the stellar feedback. A deep decrease of LOS velocity is also found in the ‘hinge’ region in Arp 58, where the inner spiral arm transforms into the tidal spiral arm, which was predicted earlier for M 51-type galaxies. Local sites of star formation and the satellites are compared with the evolutionary models at the colour–colour diagrams. Unlike the spiral galaxy Arp 58, the main galaxy in Arp 68 system is experiencing an ongoing burst of star formation. Gas-phase metallicity estimates show that Arp 58 has a higher metal abundance and reveals a shallow negative radial gradient of the gas-phase oxygen abundance. The emission gas in Arp 68 has noticeably lower metallicity than it is expected for a given luminosity of this galaxy, which may be connected with its space position in the local void.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Structurally Driven Environmental Degradation of Friction in MoS2 Films

Abstract We report an investigation of the friction mechanisms of MoS 2 thin films under changing environments and contact conditions using a variety of computational and experimental techniques. Molecular dynamics simulations were used to study the effects of water and molecular oxygen on friction and bonding of MoS 2 lamellae during initial sliding. Characterization via photoelectron emission microscopy (PEEM) and Kelvin probe force microscopy (KPFM) were used to determine work function changes in shear modified material within the top few nanometers of MoS 2 wear scars. The work function was shown to change with contact conditions and environment, and shown by density functional theory (DFT) calculations and literature reports to be correlated with lamellae size and thickness of the basally oriented surface layer. Results from nanoscale simulations and macroscale experiments suggest that the evolution of the friction behavior of MoS 2 is linked primarily to the formation or inhibition of a basally oriented, molecularly thin surface film with long-range order.

Curry, John F.↗
DOE OSTI2023

Unfaulting mechanisms of interstitial Frank loops in fluorite-structured ThO 2

Unfaulting of Frank loops in irradiated fluorite-structured oxides is of significance for understanding microstructural evolution. However, the mechanisms have not yet been directly observed. To this end, we utilize molecular dynamics to reveal the atomistic details related to the unfaulting process of interstitial Frank loops in ThO 2 , which involve a single pair or multiple pairs of co-propagating Shockley partials to annihilate the stacking faults. Here, we find that the unfaulting is achieved via a synchronous shear of the partial pairs to remove the extrinsic stacking fault in the cation sublattice and the intrinsic stacking fault in the anion sublattice. The high mobility of oxygen at the dislocation core may reduce the activation barriers of dislocation nucleation and migration. These findings provide a fundamental understanding of the transformation of faulted loops in irradiated ThO 2 , and could be transferable to other fluorite-structured oxides.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Strontium-84 Enrichments in Presolar Grains Provide First Evidence of p -process Nucleosynthesis in Core-collapse Supernovae

This study reports detection of rare p-process isotopes within presolar grains. Presolar grains are relic dust grains from dying stars. These microscopic dust particles are found in primitive solar system materials. Their distinct isotopic compositions record the nucleosynthetic processes in their parent stars and the Galactic chemical environment in which these stars formed. We studied presolar graphite grains of high-density type from the Murchison meteorite and found five grains with subgrains that show enrichments in 84 Sr compared to the solar abundance. 84 Sr is the neutron-deficient isotope of strontium that can be produced in the deep oxygen-rich interior of high-mass stars that end their lives as core-collapse supernovae. The observed 84 Sr excesses cannot be produced in low-mass asymptotic giant branch stars, the source of most high-density presolar graphites found in meteorites. High-density graphites with embedded 84 Sr excesses are, instead, compatible with a core-collapse supernovae origin. The graphite subgrains condensed from carbon-rich materials in the outer layers of core-collapse supernovae, where 84 Sr was destroyed by neutron captures during hydrostatic evolution of the stars and their final explosion. Based on current theoretical stellar models, a few percent of contribution from the inner regions of core-collapse supernovae, which are enriched in p-process nuclides, to the outer carbon-rich regions is the most likely explanation for the observed enrichment of 84 Sr in the subgrains of the high-density graphites. In this study, we present the first observational evidence that core-collapse supernovae produce and eject isotopes made by the p-process.

Astronomy and AstroPhysics↗
DOE OSTI2025

Porous CeO 2 /CuO Heterostructure for Efficient Hydrogen Evolution Reaction in an Acidic Medium

A composite electrocatalyst CeO 2 /CuO is fabricated for the hydrogen evolution reaction (HER) via a simple, facile, one‐step hydrothermal method, using F‐127 as a template and structure directing agent. The prepared composite CeO 2 /CuO shows top‐notch HER activities with a small overpotential of 98 mV at 10 mA cm −2 and just 160 mV overpotential to attain a current density of 50 mA cm −2 with good stability for 20 h in an acidic medium. The enhanced catalytic activities of CeO 2 /CuO nanocomposite are attributed to their synergetic interface interaction, which lead to improved conductivity, reactive sites, and oxygen vacancies in their lattices. This study aims to advance the development of earth‐abundant transition metal oxides–based electrocatalysts as economical, durable, and efficient HER electrocatalysts to replace noble metal–based materials in the future.

Chemistry↗
DOE OSTI2021

Different to the core: The pre-supernova structures of massive single and binary-stripped stars

The majority of massive stars live in binary or multiple systems and will interact with a companion during their lifetimes, which helps to explain the observed diversity of core-collapse supernovae. Donor stars in binary systems can lose most of their hydrogen-rich envelopes through mass transfer. As a result, not only are the surface properties affected, but so is the core structure. However, most calculations of the core-collapse properties of massive stars rely on single-star models. We present a systematic study of the difference between the pre-supernova structures of single stars and stars of the same initial mass (11–21 M ⊙ ) that have been stripped due to stable post-main-sequence mass transfer at solar metallicity. We present the pre-supernova core composition with novel diagrams that give an intuitive representation of the isotope distribution. As shown in previous studies, at the edge of the carbon-oxygen core, the binary-stripped star models contain an extended gradient of carbon, oxygen, and neon. This layer remains until core collapse and is more extended in mass for higher initial stellar masses. It originates from the receding of the convective helium core during core helium burning in binary-stripped stars, which does not occur in single-star models. We find that this same evolutionary phase leads to systematic differences in the final density and nuclear energy generation profiles. Binary-stripped star models have systematically higher total masses of carbon at the moment of core collapse compared to single-star models, which likely results in systematically different supernova yields. In about half of our models, the silicon-burning and oxygen-rich layers merge after core silicon burning. We discuss the implications of our findings for the “explodability”, supernova observations, and nucleosynthesis of these stars. Our models are publicly available and can be readily used as input for detailed supernova simulations.

79 ASTRONOMY AND ASTROPHYSICS↗