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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Atomic oxygen interaction with solar array blankets at protective coating defect sites

Atomic oxygen in the low-Earth-orbital environment oxidizes SiOx protected polyimide Kapton solar array blankets at sites which are not protected such as pin windows or scratches in the protective coatings. The magnitude and shape of the atomic oxygen undercutting which occurs at these sites is dependent upon the exposure environment details such as arrival direction and reaction probability. The geometry of atomic oxygen undercutting at defect sites exposed to atomic oxygen in plasma asher was used to develop a Monte Carlo model to simulate atomic oxygen erosion processes at defect sites in protected Kapton. Comparisons of Monte Carlo predictions and experimental results are presented for plasma asher atomic oxygen exposures for large and small defects as well as for protective coatings on one or both sides of Kapton. The model is used to predict in-space exposure results at defect sites for both directed and sweeping atomic oxygen exposure. A comparison of surface textures predicted by the Monte Carlo model and those experimentally observed from both directed space ram and laboratory plasma asher atomic oxygen exposure indicate substantial agreement.

Banks, Bruce A.↗
DOE OSTI2026

Low-energy 17 O(𝑛,𝛾)⁢ 18 O reaction within the microscopic potential model and its role for the weak 𝑟 process

The neutron radiative capture reaction 17 O ⁡(𝑛,𝛾) ⁢18 O plays a pivotal role in both nuclear structure studies and astrophysical nucleosynthesis, particularly in the formation of elements during hydrostatic and explosive stellar environments. We calculated the 17 O ⁡(𝑛,𝛾) ⁢18 O cross section within the Skyrme Hartree-Fock potential model and analyzed electric dipole 𝐸⁢1 transitions to both positive- and negative-parity states below the α-decay threshold in 18 O. Our cross sections are significantly different from the data available in commonly used libraries. We further investigate the impact of the new calculated cross section on weak 𝑟-process nucleosynthesis using large-scale reaction network calculations across a wide range of electron fractions and entropies. Our results show that the 17 O ⁡(𝑛,𝛾) ⁢18 O reaction rate significantly influences the production of first 𝑟-process peak elements, such as strontium, under specific astrophysical conditions. This study highlights the importance of accurate nuclear data for light isotopes in modeling heavy-element synthesis and provides updated reaction rates for future nucleosynthesis simulations.

6 ≤ A ≤ 19↗
DOE OSTI2024

Experimental Determination of 𝛼 Widths of 21 Ne Levels in the Region of Astrophysical Interest: New 17 O +𝛼 Reaction Rates and Impact on the Weak 𝑠 Process

The efficiency of the weak 𝑠 process in low-metallicity rotating massive stars depends strongly on the rates of the competing 17 O ⁡(𝛼,𝑛)⁢ 20 Ne and 17 O ⁡(𝛼,𝛾)⁢ 21 Ne reactions that determine the potency of the 16 O neutron poison. Their reaction rates are poorly known in the astrophysical energy range of interest for core helium burning in massive stars because of the lack of spectroscopic information (partial widths, spin parities) for the relevant states in the compound nucleus 21 Ne . In this Letter, we report on the first experimental determination of the 𝛼-particle spectroscopic factors and partial widths of these states using the 17 O ⁡( 7 Li, 𝑡)⁢ 21 Ne 𝛼-transfer reaction. With these the 17 O ⁡(𝛼, 𝑛)⁢ 20 Ne and 17 O ⁡(𝛼, 𝛾)⁢ 21 Ne reaction rates were evaluated with uncertainties reduced by a factor more than 3 with respect to previous evaluations and the present 17 O ⁡(𝛼, 𝑛)⁢ 20 Ne reaction rate is more than 20 times larger. Finally, the present (𝛼, 𝑛)/(𝛼, 𝛾) rate ratio favors neutron recycling and suggests an enhancement of the weak 𝑠 process in the Zr-Nd region by more than 1.5 dex in metal-poor rotating massive stars.

direct reactions↗
DOE OSTI2024

New constraint on the Np 237 ( n , γ ) Np 238 integral cross section using the Godiva-IV critical assembly

Accurate knowledge of the 237 Np(n, γ) 238 Np cross section at fast neutron energies is important for applied nuclear science. The presently available experimental data has large disagreements in the fast neutron region. Perform a model-independent measurement of the 237 Np(n, γ) 238 Np integral cross section using a well characterized fast neutron source and compare the result with previous measurements and current nuclear data evaluations. Provide an integral measurement that can be used as a benchmark for current evaluations. Multiple samples of 237 Np were irradiated in the Godiva-IV critical assembly. Following the irradiation, the samples placed in a γ-ray counting setup and the γ-rays emitted from the decay of 238 Np were measured over a time period of approximately 7 days. Multiple γ-ray decay branches of 238 Np were observed. The observed activity of 238 Np was used to calculate the amount of 238 Np produced during the irradiation via the 237 Np(n, γ) 238 Np reaction and an integral cross section of 342(11) mb was measured for the Godiva-IV neutron spectrum. Further, the 238 Np half-life has been measured with a result of 50.31(5) hours. The 237 Np(n, γ) 238 Np integral cross section measured in this work is in agreement with overlapping 1σ error bands to ENDF/B-VIII.0. However, the measured value is 3σ away from the calculated integral cross section using JENDL-5. This measurement offers a reliable benchmark for future 237 Np(n, γ) 238 Np cross section evaluations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Systematic study of the validity of the eikonal model including uncertainties

Nuclear reactions at intermediate beam energies are often interpreted using the eikonal model. In the analysis of complex reaction probes, where few-body reaction methods are needed, the eikonal method may be used as an efficient way for describing the fragment-target reaction process. In this work, we perform a systematic study to test the validity of the eikonal approximation for nucleon-nucleus reactions. We also quantify uncertainties due to the nucleon optical potential on reaction observables. We inspect the validity of the eikonal model and its semiclassical correction by comparing it to exact solutions (obtained from solving the optical-model equation with a finite-differences method) for a wide range of reactions. We also study the effect of relativistic corrections, both kinematic and dynamic, by effectively incorporating the relativistic effects at intermediate energies. The uncertainties from a Bayesian global optical potential (KDUQ) are propagated to the observables of interest. Our study includes neutron and proton reactions on 27 Al , 40 Ca , 90 Zr , and 208 Pb , for a wide range of energies 𝐸 lab = 0–400 MeV. We calculate neutron-total cross sections (elastic and reactions) as well as proton-absorption cross sections as a function of beam energy, using the eikonal model, the eikonal model with a semiclassical correction, and the exact solution. Here, we also compute angular distributions for the methods above. Our results show that for the proton-absorption cross section, the eikonal model can be used down to around 60 MeV and the semiclassical correction extends its use to 30 MeV. However, the validity of the eikonal model for the neutron-total cross section only goes down to ≈120 MeV, a range extended to ≈ 50 MeV when using the semiclassical correction. We find the semiclassical correction to the eikonal model to be less effective in describing the angular distributions. The 1⁢𝜎 uncertainty intervals on the observables we studied is less than 5% for most of the energies considered, but increases rapidly for higher energies, namely energies outside the range of KDUQ (𝐸 lab > 200MeV).

Cluster models↗
DOE OSTI2025

Microscopic optical potentials from a Green's function approach

Optical potentials are a standard tool in the study of nuclear reactions, as they describe the interaction between a target nucleus and a projectile. The use of phenomenological optical potentials built using experimental data on stable isotopes is widespread. Although successful in their dedicated domain, it is unclear whether these phenomenological potentials can provide reliable predictions for unstable isotopes. To address this problem, optical potentials based on microscopic nuclear structure input calculations prove to be crucial and are an important current line of research. In this work we present an explicit implementation of the Feshbach formalism for the systematic derivation of optical potentials using input from nuclear structure models. Numerical tools for the derivation of Green's functions associated with nonlocal potentials are presented. In conclusion, the new optical potential, based on the valence shell model, is applied to the calculations of 𝑛 + 24 Mg elastic scattering and yields a close agreement with the experimental data.

Direct reactions↗
DOE OSTI2025

A Cocatalytic System for Electrooxidation of Primary, Secondary, and Benzyl Alcohols Based on a Triruthenium Oxo-Centered Cluster and NHPI

Increasing interest in alternative methods for fuel generation and chemical synthesis has resulted in an increased focus on the development of electrocatalysts for energy relevant small molecule transformations, such as the oxidation of methanol. Partial methanol oxidation is a crucial step in the generation of the commodity chemical formaldehyde, and its complete oxidation to carbon dioxide can also serve as the anodic reaction in direct methanol fuel cells. We report a coelectrocatalytic system comprised of an oxo-centered triruthenium cluster (Ru 3 O) as the catalyst, with the electro-generated N-phthalimido-N-oxyl (PINO) radical species acting as a redox mediator. Only a mild Brønsted base, 2,6-lutidine, is required to achieve an electrocatalytic response. The cocatalytic system demonstrates remarkable cooperativity, shifting the oxidation potential of MeOH (Ep) less positive by ca. 0.5 V compared to the intrinsic response of the Ru 3 O complex. Controlled potential electrolysis on a model substrate, 4-trifluoromethylbenzyl alcohol, demonstrates selective production of the two-electron, two-proton aldehyde product with a Faradaic efficiency of 79 ± 11% at a rate of 3.14 s –1 . The rate of cocatalysis is 50-fold greater than the intrinsic activity of Ru3O and 26-fold greater than that of PINO alone under otherwise identical conditions. Mechanistic studies reveal the oxidation of a Ru 3 O–alkoxide species as the potential-determining step, while two possible rate-determining steps are identified depending on the substrate. A preference for sterically uninhibited electron-rich benzyl alcohol substrates suggests that a H atom transfer from the Ru 3 O–alkoxide adduct to PINO is rate-determining, while the lack of an observed kinetic isotope effect using deuterated MeOH suggests the oxidation of the Ru 3 O–alkoxide species is both rate- and potential-determining for cocatalysis.

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

Atomic dynamics of gas-dependent oxide reducibility

Understanding oxide reduction is critical for advancing metal production, catalysis and energy technologies. Although carbon monoxide (CO) and hydrogen (H 2 ) are widely used reductants, the mechanisms by which they work are often presumed to be similar, both involving lattice oxygen removal. However, because of growing interest in replacing CO with H 2 to lower CO 2 emissions, distinguishing gas-specific reduction pathways is critical. Yet, capturing these atomic-scale processes under reactive gas and high-temperature conditions remains challenging. Here we use environmental transmission electron microscopy, which is capable of real-time, atomic-resolution imaging of gas–solid redox reactions to directly visualize the gas-dependent oxide reduction dynamics in NiO. We show that CO drives surface nucleation and the growth of metallic Ni islands, leading to self-limiting surface metallization. Conversely, H 2 activates a coupled surface-to-bulk transformation, where protons from dissociated H 2 infiltrate the oxide lattice to promote the inward migration of surface-generated oxygen vacancies and enabling bulk metallization. By contrast, oxygen vacancies formed by CO remain confined near the surface, where they rapidly form a metallic Ni layer that inhibits further reduction. Furthermore, these results reveal distinct atomistic pathways for CO and H 2 and provide insights that may guide metallurgical processes and catalyst design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Inverse kinematics study of the energy levels of 21 Ne populated with the 20 Ne +𝑑 reaction

In recent years there has been significant experimental effort aimed at studying the impact of 16 O neutron poisoning on the weak 𝑠 process in rotating massive stars. Improving the understanding of energy levels in 21 Ne is crucial to reducing uncertainties in the rates of the 𝛼-induced reactions on 17 O that determine the overall efficiency of the weak 𝑠 process. This paper reports on one such experiment: a study of the 20 Ne (𝑑,𝑝)⁢ 21 Ne reaction in inverse kinematics. Deduced spin-parity assignments were made based on adiabatic distorted-wave approximation analysis and neutron partial widths were estimated by comparison with a previous experiment. Of particular significance for nuclear astrophysics is the resulting neutron partial width for the 7820-keV energy level, estimated to be 12 200 ⁢(2900)⁢ eV, and an upper limit of ≤ 9300 eV for that of the 7749-keV energy level. These results are in tension with previous studies and therefore this paper also discusses the current state of the research into the astrophysically relevant energy levels and highlights both areas of agreement and areas of disagreement between this and various other studies that have investigated this nucleus.

direct reactions↗
DOE OSTI2026

𝑙-forbidden 𝑀⁢1 strengths near 100 Sn from knockout reactions in Cd and Sn

Neutron knockout reactions on beams of 104,102 Cd and 104 Sn are presented. States in the residual 103,101 Cd and 103 Sn nuclei are populated, including low-lying 7/2 + states of 𝜈⁢𝑔 7/2 character. These states have half-lives ≈ 400 ps due to their low energy and hindered 𝐵⁡(𝑀⁢1;7/2 + →5/2 + ) strengths. The excited-state half-lives were measured using their Doppler-shifted line shapes, and the resulting 𝐵⁡(𝑀⁢1) strengths are compared to valence space in medium similarity renormalization group (VS-IMSRG) calculations. Lastly, the VS-IMSRG calculations underpredict the 𝑙-forbidden 𝑀⁢1 strengths in the 100 Sn region, as well as in other regions of the nuclear chart near 40 Ca and 208 Pb.

90 ≤ A ≤ 149↗
DOE OSTI2025

Near-Threshold Dipole Strength in 10 Be with Isoscalar Character

Isoscalar dipole transitions are a distinctive fingerprint of cluster structures. A 1 − resonance at 7.27(10) MeV, located just below the 𝛼-emission threshold, has been observed in the deuteron inelastic scattering reactions off 10 Be. The deformation lengths of the excited states in 10 Be below 9 MeV have been inferred from the differential cross sections using coupled channel calculations. This observed 1 − resonance has isoscalar characteristics and exhausts approximately 5%–15% of the isoscalar dipole energy-weighted sum rule, providing evidence for pronounced 𝛼 cluster structure in 10 Be. The Gamow coupled channel approach supports this interpretation and suggests the near-threshold effect might be playing an important role in this excitation energy domain. Here, the 𝛼 +𝛼 +𝑛 +𝑛 four-body calculation reproduces the observed enhanced dipole strength, implying that the four-body cluster structure is essential to describe the 1 − states in 10 Be.

Cluster models↗
DOE OSTI2025

Experimental study of 53 Cr via the (𝑑, 𝑝⁢𝛾) reaction

Excited states in 53 Cr were studied via the 52 Cr ⁢(𝑑, 𝑝⁢𝛾) reaction up to the neutron-separation threshold. Proton-𝛾 angular correlations and 𝛾 decay branching ratios were measured in particle-𝛾 coincidences between the Super-Enge Split-Pole Spectrograph (SE-SPS) and CeBr 3 Array (CeBrA) demonstrator of the John D. Fox Accelerator Laboratory at Florida State University. Previous spin-parity assignments from a (𝑑,𝑝) singles experiment at the SE-SPS are supported and 𝛾-ray transitions in 53 Cr are reported. We firmly assign higher-lying excited states to 53 Cr because overlapping excited states and contaminants could be identified better due to the complementary 𝛾-decay information. We also correct some of the previously reported excitation energies and present a reanalysis of previously measured 52 Cr (𝑑, 𝑝)⁢ 53 Cr angular distributions guided by the complementary 𝛾-ray information. Based on this reanalysis, the fragmentation of the neutron 2⁢𝑝 3/2 , 2⁢𝑝 1/2 , 1⁢𝑓 5/2 , 1⁢𝑔 9/2 , and 2⁢𝑑 5/2 single-particle strengths is reassessed for 53 Cr. Here, a comparison to the corresponding strengths in 55 Fe is presented.

39 ≤ A ≤ 58↗
DOE OSTI2026

Single-Nucleon Transfer on Unstable 59 Cu Probes the NiCu Cycle in Astrophysical X-Ray Bursts

Recent models of the rapid proton (𝑟⁢𝑝) capture process indicate that a competition between the 59 Cu⁢(𝑝,𝛾) ⁢60 Zn and 59 Cu⁢(𝑝,𝛼) ⁢56 Ni reactions may result in the formation of a nickel-copper (NiCu) cycle that traps the flux of material between 56 Ni and 60 Zn . Here, in this work, we report the identification of 15 proton-unbound levels in 60 Zn , populated via 59 Cu⁢(𝑑,𝑛) transfer, which govern the rate of the 59 Cu⁢(𝑝,𝛾)⁢ 60 Zn reaction in XRBs. Precise excitation energies for levels in 60 Zn were obtained from observed 𝛾 decays, and spectroscopic factors were determined from angle-integrated cross sections. Incorporating these results into stellar-model calculations, we find that with experimentally constrained uncertainties a NiCu cycle in XRBs is indeed possible, though we limit its branching strength to less than 38%. While modest, such a branching has significant impact on the light curve, motivating further studies of the relevant rates. Our calculations also indicate that a significant NiCu cycle leads to an increase in the amount of odd-𝐴 nuclei in the burst ashes, which may affect Urca cooling processes in neutron star crusts.

direct reactions↗
DOE OSTI2026

Migration of Al within dealuminated beta extruded catalysts influences olefin distribution during ethanol upgrading

Zeolites serve as essential catalytic platforms for many industrial processes, including emerging ethanol-to-olefins (ETO) upgrading technologies. Although metal-loaded (Cu, Zn, Y) dealuminated beta (deAlBeta) zeolite powders are promising catalysts for direct ETO conversion with high selectivity to butene-rich C3+ olefins necessary for production of sustainable aviation fuels (SAF), development of these materials as shaped technical bodies through the incorporation of binders is required for scale-up and commercial viability. Here, we report the ethanol upgrading performance of Cu-Zn-Y/deAlBeta extruded catalysts formulated with either alumina or kaolin clay binders. Both extrudates exhibit high ethanol dehydration reactivity which competes with the initial ethanol dehydrogenation step in the direct ETO reaction network. Consequently, elevated selectivity to dehydration side products (ethylene, diethyl ether) at ∼100% ethanol conversion is observed on Cu-Zn-Y/deAlBeta extrudates compared to the powder catalyst, which inhibits production of desired C3+ olefins. Utilizing microscopy and spectroscopic characterizations, we attribute this to Al migration from binder to zeolite particles within the extrudates, thus re-aluminating the zeolite and generating Brønsted acid sites active for dehydration reactions. This work elucidates the effects of binder incorporation on ETO product distributions and emphasizes that binder selection must be carefully considered during design of extruded zeolite catalysts.

Jacobs, Hunter [ORNL] (ORCID:000000016190874X)↗
DOE OSTI2025

Ensemble cure kinetics network (ECK-Net): A method to derive cure kinetics of thermosetting resin

This paper introduces an Ensemble Cure Kinetics Network (ECK-Net), a neural network (NN)–based framework for modeling the cure kinetics of thermosetting resins within a phenomenological context. ECK-Net replaces traditional analytic models, which require extensive chemical insight and multiple isothermal/non-isothermal experiments, with a data-driven surrogate that maps nonlinear relationships between temperature, degree of cure, and reaction rate from differential scanning calorimetry data. The proposed approach predicts input-dependent kinetic coefficients of a generalized nth-order reaction equation rather than reaction rates directly, enabling a single unified model to represent various epoxy systems without relying on iso-conversional analysis or predefined functional forms. To ensure robustness, multiple independently trained networks under different random initializations are blended through an ensemble strategy, effectively mitigating the stochastic variability inherent to neural networks. The framework is validated using experimental datasets from multiple resin systems, including aerospace-grade materials (Toray 3900-2, Cycom 5320-1, and Hexcel 8552) and a windmill-grade resin (RIMR 035c). The model accurately reproduces the temporal evolution of the degree of cure under manufacturers’ recommended cure cycles across all tested resins systems, yielding Pearson’s correlation coefficients of 0.992, 0.994, 0.993, 0.997, respectively. To demonstrate process-level applicability, the trained network was implemented within the Abaqus environment to simulate out-of-autoclave (OOA) curing process of the CFRP panel composed of Toray T830H-6K/3900-2D prepreg. The simulation results showed excellent agreement with experimental temperature response (maximum peak temperature, simulation: 189.6 °C, experiment: 188.5 °C) and the final degree of cure (simulation: 0.948, experiment: 0.960 ± 0.013), confirming ECK-Net’s capability as a reliable alternative to conventional cure kinetics modeling methods.

Composite curing↗
DOE OSTI2025

Understanding X-ray bursts via direct measurements of ( α , p ) reactions

X-ray bursts, which are thermonuclear explosions on neutron stars accreting mass from companion stars, are the most frequent stellar explosions. To understand the mechanisms behind these bursts, astrophysical models need to incorporate the reaction rates of key nuclear reactions occurring in these stellar environments. This, however, presents significant challenges due to the typically small cross sections of these reactions and the experimental complexities associated with the use of low-intensity radioactive beams. Consequently, most of these reaction rates remain unknown. However, recent advancements in radioactive ion beam facilities and experimental techniques have opened new opportunities to measure these crucial astrophysical reactions. Furthermore, this work explores these advances and highlights recent measurements relevant to X-ray bursts.

Avila, M. L. [Argonne National Laboratory (ANL), A↗
DOE OSTI2025

ATR-SEIRAS Reveals Potential Inversion and Associated Electron Transfer Kinetics in the Reduction of Surface-Confined Anthraquinone

The detection of stable semiquinone radicals on an anthraquinone (AQ) layer chemically grafted to an electrode surface in aqueous electrolytes has been elucidated by using attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). In very alkaline conditions (pH 13), the reduction of the AQ involves no proton transfer, but surface sensitive infrared spectroscopy reveals that the anthraquinone dianion forms a strong hydrogen bonding network with coadsorbed water, leading to irreversible features in the voltammetry. The potential dependence of the IR band assigned to the AQ radical is consistent with the enhanced hydrogen bonding network causing increased stabilization of the quinone radical and supports the predicted response of a system under mild potential inversion, whereby the formal potential for the reduction of the anthraquinone radical is positive of the reduction potential of the neutral AQ molecule. Time-resolved ATR-SEIRAS is used to measure the transient formation of the AQ •– radical, from which rate constant information can be extracted using the Butler–Volmer model involving two one-electron transfers without a direct disproportionation reaction. The potential dependence of the rate constants is consistent with the potential inversion and can be used to qualitatively simulate the measured cyclic voltammograms. In conclusion, the thermodynamic and kinetic analyses re-emphasize long established deficiencies associated with using one-electron reaction formalisms to characterize multi-electron systems.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2025

Mechanistic study of a CO-free pathway in the methanol oxidation reaction over oxygen vacancies in NiOOH

The methanol oxidation reaction is a key reaction in direct methanol fuel cells. Prior research indicates that if oxygen vacancies in NiOOH serve as the active sites, the methanol oxidation mainly proceeds through the formate-involving pathway, which is a CO-free pathway, distinct from the conventional path over transition metal catalysts, though the fundamental reason for this suppressed CO formation is unclear. Herein, we report density functional theory calculations, through which we uncover the underlying reasons for this alternate path of methanol oxidation over the oxygen vacancies in NiOOH. We find that the existence of oxygen vacancies in NiOOH affects the adsorption configuration of adsorbates and that the interfacial charge transfer is minimal for CHO and CO intermediates. In addition, CHO, a key intermediate to form CO, adsorbs at the oxygen vacancy through the oxygen atom, leading to low stability due to the incomplete valence saturation of the carbon atom. This weak electronic interaction and instability effectively inhibit CHO formation and, consequently, CO formation. These insights provide valuable guidance for the development of efficient and CO-tolerant catalysts for methanol oxidation.

Ho, Thy [University of Oklahoma, Norman, OK (Unite↗