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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
DOE OSTI2021

Proton capture on 34 S in the astrophysical energy regime of O-Ne novae

Nuclear reaction sensitivity studies have shown that the final isotopic abundance of O-Ne nova nucleosynthesis is dependent on the 34 S(p,γ) 35 Cl reaction at astrophysical energies corresponding to peak nova burning temperatures of 0.1–0.4 GK. Isotopic ratios of the S, Cl, and Ar products are all used in various methods of cosmochemical analysis of presolar meteoritic grains. Due to the lack of direct experimental data, the 34 S+p reaction rate has been estimated using statistical modeling or information from indirect nucleon transfer experiments. In order to provide direct reaction information, here the resonance strengths of several low energy resonances, E c.m. = 272–495 keV, in the 34 S(p,γ) 35 Cl reaction were measured for the first time in inverse kinematics using the DRAGON recoil separator located at TRIUMF, Canada’s Particle Accelerator Centre in Vancouver.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Activation and surface reactions of CO and H 2 on ZnO powders and nanoplates under CO hydrogenation reaction conditions

Here, activation and surface reactions of CO and H 2 on ZnO powders and nanoplates under CO hydrogenation reaction conditions were (quasi) in situ studied using temperature programmed surface reaction spectra, diffuse reflectance Fourier transform infrared spectroscopy, inelastic neutron scattering spectroscopy and electron paramagnetic resonance. CO undergoes disproportion reaction to produce gaseous CO 2 and surface carbon adatoms, and adsorbs to form surface formate species. H 2 adsorption forms dominant irreversibly-adsorbed surface hydroxyl groups and interstitial H species and very minor surface Zn-H species. Surface formate species and hydroxyl groups react to produce CO 2 and H 2 , while surface carbon adatoms are hydrogenated by surface Zn-H species sequentially to produce CH(a), CH 2 (a), CH 3 (a) and eventually gaseous CH 4 . The ZnO nanoplates, exposing a higher fraction of Zn-ZnO(0001) and O-ZnO(000–1) polar facets, are more active than the ZnO powders to catalyze CO hydrogenation to CH 4 . These results provide fundamental understanding of the reaction mechanisms and structural effects of CO hydrogenation reaction catalyzed by ZnO-based catalysts.

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

Spin-parities of subthreshold resonances in the 18 F(p, α) 15 reaction

The 18 F(p,α) 15 O reaction is key to determining the 18 F abundance in classical novae. However, the cross section for this reaction has large uncertainties at low energies largely caused by interference effects. In this work, we resolve a longstanding issue with unknown spin-parities of subthreshold states in 19 Ne that reduces these uncertainties. The 20 Ne( 3 He, 4 He) 19 Ne neutron pick-up reaction was used to populate 19 Ne excited states, focusing on the energy region of astrophysical interest (≈ 6 – 7 MeV). The experiment was performed at the Triangle Universities Nuclear Laboratory using the high resolution Enge split-pole magnetic spectrograph. Spins and parities were found for states in the astrophysical energy range. In particular, the state at 6.133 MeV ($E^{cm}_{r}$ = –277 keV) was found to have spin and parity of 3/2 + and we confirm the existence of an unresolved doublet close to 6.288 MeV ($E^{cm}_{r}$ = –120 keV) with J π = 1/2 + and a high-spin state. Using these results, we demonstrate a significant factor of two decrease in the reaction rate uncertainties at nova temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Resolved Resonance Evaluation for Neutron Interactions with 103 Rh up to 8 keV

A neutron cross-section evaluation for the n + 103 Rh reaction in the resolved resonance region was carried out in the energy range 10−5 eV to 8 keV encompassing thermal energy at 0.0253 eV. The scope of this work is to generate resonance parameters and resonance parameter covariances based on the Reich-Moore reduced R-matrix formalism using the code SAMMY. Some features of the new evaluation are the inclusion of high-resolution capture data in the SAMMY evaluation process and the extension of the resolved resonance range from 4 to 8 keV. Furthermore, the evaluation employs more accurate resonance parameter representation by exploring the use of the LRF = 7 ENDF feature and also the use of the LCOMP = 2 compact format for resonance parameter covariance representation. Included in the SAMMY evaluation are transmission data, capture cross-section data, and neutron scattering length information. Thermal cross-section values listed in the literature, as well as capture resonance integrals, were also incorporated into the evaluation process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Spectroscopic study of a possible $Λnn$ resonance and a pair of $ΣNN$ states using the $(e,e'K^+)$ reaction with a tritium target

Here, a mass spectroscopy experiment with a pair of nearly identical high resolution spectrometers and a tritium target was performed in Hall A at Jefferson Lab. Utilizing the (e,e'K + ) reaction, enhancements, which may correspond to a possible $\Lambda$nn resonance and a pair of ΣNN states, were observed with an energy resolution of about 1.21 MeV (σ), although greater statistics are needed to make definitive identifications. An experimentally measured Λnn state may provide a unique constraint in determining the Λn interaction, for which no scattering data exist. In addition, although bound A = 3 and 4 Σ hypernuclei have been predicted, only an A = 4 Σ hypernucleus ($^4_Σ$He) was found, utilizing the (K - ,π - ) reaction on a 4 He target. The possible bound ΣNN state is likely a Σ 0 nn state, although this has to be confirmed by future experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Molecular Mass Growth Processes to Polycyclic Aromatic Hydrocarbons through Radical–Radical Reactions Exploiting Photoionization Reflectron Time-of-Flight Mass Spectrometry

Polycyclic aromatic hydrocarbons (PAHs) represent critical building blocks in molecular mass growth processes to carbonaceous nanoparticles, referred to as interstellar and circumstellar grains along with soot particles in astrophysical environments and combustion systems, respectively. Recent advancements on elucidating elementary steps to PAHs have utilized reactions of aromatic radicals, resonantly stabilized free radicals, and aliphatic radicals with closed shell hydrocarbons. However, the role of radical–radical reactions (RRRs) leading to PAHs has remained largely unexplored on the molecular level due to preceding experimental challenges in producing sufficiently high number densities of radical reactants for isomer-selective detection of products from bimolecular and termolecular reactions. This Account offers the latest developments in our knowledge on the mechanisms and pathways to PAHs via RRRs probed in a chemical microreactor at temperatures as high as 1600 K. Product preservation in a molecular beam coupled with synchrotron vacuum ultraviolet photoionization reflectron time-of-flight mass spectrometry and photoelectron photoion coincidence spectroscopy enabled isomer-selective detection of PAHs of up to three rings by their photoionization efficiency curves, which were fit with a linear combination of reference curves for identification. Experiments were combined with computational fluid dynamics modeling of the physicochemical processes in the microreactor, as well as high-level electronic structure calculations to reveal the reaction pathways of each system. Six distinct reaction mechanisms were discovered in this work: propargyl addition─benzannulation (PABA), methyl addition─ring expansion (MARE), cyclopentadienyl addition─naphthylization (CPAN), fulvenallenyl addition─cyclization─aromatization (FACA), benzyl addition─aromatization (BAA), and phenyl addition─pentacyclization (PAP). By systematically varying the number of carbon atoms in the radical reactants, molecular mass growth processes involving reactions between radicals with odd numbers of carbon atoms access aromatics carrying one, two, or three six-membered rings, whereas reactions between even- and odd-carbon-numbered radicals produce aromatics combining five- and six-membered rings. Our investigations reveal unconventional cycloadditions on excited state triplet surfaces, additions of radicals to low spin density carbon-centered radicals, spiroaromatic and fulvene-type intermediates, and highly strained bicyclic reaction intermediates, challenging current perceptions of PAH molecular mass growth processes. All of the listed mechanisms, except for FACA, feature endoergic reactions or barriers which lie above the separated reactants and therefore might be central to circumstellar environments of carbon-rich stars and planetary nebulae as their descendants, but they play no role in the gas phase of cold molecular clouds where temperatures as low as 10 K dominate. Altogether, this work provides detailed reaction mechanisms of PAH growth processes, advancing our knowledge of the chemistry of carbonaceous matter in the universe.

Addition reactions↗
DOE OSTI2021

Controlling Infrared Plasmon Resonances in Inverse-Spinel Cadmium Stannate Nanocrystals via Site-Selective Cation-Exchange Reactions

Doped metal oxide nanocrystals (NCs) exhibit tunable localized surface plasmon resonances (LSPRs) in the infrared spectral region. Compared to the binary oxides commonly studied, plasmonic NCs derived from ternary oxides remain far less explored primarily due to the difficulty of controlling NC phase-purity and stoichiometry. Here, we report the synthesis of inverse spinel-type cadmium stannate (Cd 2 SnO 4 ) NCs, for which cation-exchange reactions were developed to tailor their composition and LSPR properties. X-ray absorption spectroscopy studies revealed that the inequivalent tetrahedrally and octahedrally coordinated Cd 2+ can be selectively exchanged for Cu + and In 3+ ions, respectively, enabling broadband tunable LSPR and Cu-mediated cation-exchange with lanthanide ions that are otherwise difficult to incorporate. Here, our work paves the way for systematic compositional engineering to accelerate the design of complex metal oxide NCs with emerging plasmonic, electronic, and magnetic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fine structure of the isovector giant dipole resonance in Nd 142 – 150 and Sm 152

Inelastic proton scattering at energies of a few hundred MeV and very-forward scattering angles including 0° has been established as a tool for the study of electric-dipole strength distributions in nuclei. The present work reports a systematic investigation of the chain of stable even-mass Nd isotopes representing a transition from spherical to quadrupole-deformed nuclei. Extraction of the equivalent photo-absorption cross sections and analysis of their fine structure in the energy region of the isovector giant dipole resonance (IVGDR). Method: Proton inelastic scattering reactions of 200 MeV protons were measured at the iThemba Laboratory for Accelerator Based Sciences in Cape Town, South Africa. The scattering products were momentum-analyzed by the K600 magnetic spectrometer positioned at θ Lab = 0°. Using dispersion-matching techniques, energy resolutions of ΔE ≈ 40–50 keV (full width at half maximum) were obtained. After subtraction of background and contributions from other multipoles, the spectra were converted to photoabsorption cross sections using the equivalent virtual-photon method. Wavelet-analysis techniques are used to extract characteristic energy scales of the fine structure of the IVGDR from the experimental data. Fine structure of the IVGDR is observed even for the most deformed nuclei studied. Comparisons between the extracted experimental energy scales and those energy scales obtained from the quasiparticle-phonon model (QPM) and Skyrme separable random phase approximation (SSRPA) predictions provide insight into the role of different giant-resonance damping mechanisms. It can be seen that the scales in the spherical and most likely also in the deformed nuclei mainly result from the fragmentation of the one-particle-one-hole (1p1h) strength into several dominant transitions serving as doorway states. In cases where calculations beyond the 1p1h level are available, some impact of the spreading due to coupling of the two-particle-two-hole (2p2h) states to the 1p1h doorway states is observed. New virtual-photon absorption data for the chain of stable Nd isotopes and 152 Sm are presented, with a focus on the phenomenon of nonstatistical cross-section fluctuations, referred to as fine structure, in the energy region of the IVGDR. The wavelet-analysis techniques used allowed for the features of the fine structure to be quantified in the form of characteristic scales. Finally, comparisons between experimental results and model predictions indicate that Landau damping seems to be the main source of the fine structure in both the spherical and deformed nuclei, but calculations including 2p2h degrees of freedom would be beneficial to confirm this for the deformed cases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Quantum Sensing of Electron Transfer Pathways in Natural Photosynthesis Using Time-Resolved High-Field Electron Paramagnetic Resonance/Electron–Nuclear Double Resonance Spectroscopy

Photosynthetic integral membrane reaction center (RC) proteins capture and convert sunlight into chemical energy via efficient charge separation achieved through a series of rapid, photoinitiated electron transfer steps. These fast electron transfers create an entangled spin qubit (radical) pair that contains detailed information about the weak magnetic interactions, structure, and dynamics of localized protein environments involved in charge separation events. In this work, we investigate how these entangled electron spin qubits interact with nuclear spins of the protein environment using the high spectral resolution of 130 GHz electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR). Spectroscopic interrogation enabled the observation and probing of protons located in the electron transfer pathway between the membrane-spanning electron pair P + Q A - (where P + is the primary donor, a special pair of bacteriochlorophylls, and Q A is the primary quinone acceptor) in the bacterial RC. Spectroscopic analysis reveals hydrogen-bonding interactions involved in regulating the route that light-induced electrons travel through the RC protein during charge separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Polarized Structure Function {sigma}LT from {pi}0 p Electroproduction Data in the Resonance Region at 0.4 GeV2 < Q2 < 1.0 GeV2

The first results on the sigma(LT') structure function in exclusive pi(0)p electroproduction at invariant masses of the final state of 1.5 GeV < W < 1.8 GeV and in the range of photon virtualities 0.4 GeV2 < Q(2) < 1.0 GeV2 were obtained from data on beam spin asymmetries and differential cross sections measured with the CLAS detector at Jefferson Lab. The Legendre moments determined from the sigma(LT') structure function have demonstrated sensitivity to the contributions from the nucleon resonances in the second and third resonance regions. These new data on the beam spin asymmetries in pi(0)p electroproduction extend the opportunities for the extraction of the nucleon resonance electro-excitation amplitudes in the mass range above 1.6 GeV.

Isupov, E. L.↗
DOE OSTI2020

19 Ne level structure for explosive nucleosynthesis

Ne 19 is an important isotope in nuclear astrophysics due to its role in both the F 18 ( p , α ) O 15 and O 15 ( α , γ ) Ne 19 reactions in novae and Type I x-ray bursts, respectively. The energy levels of Ne 19 near the α and proton thresholds ( S α = 3529 keV, S p = 6410 keV) correspond to resonances in both of these reactions. Previous measurements to study the structure of Ne 19 have focused on both regions in an effort to constrain these reaction rates. Discrepancies in the energies, spins, and parities for levels in Ne 19 from previous measurements contribute to the reaction-rate uncertainties. Gamma rays from the depopulation of excited states in Ne 19 were measured to reduce the level-energy uncertainties and inconsistencies in previous spin-parity assignments.The F 19 ( He 3 , t ) Ne 19 reaction was used to elucidate the structure of Ne 19 levels up to E x = 6.9 MeV. The reaction products were measured using Gammasphere ORRUBA: Dual Detectors for Experimental Structure Studies—a coupling of the Oak Ridge Rutgers University Barrel Array and Gammasphere at Argonne National Laboratory. Tritons produced in the reaction were measured in coincidence with γ rays from the deexcitation of Ne 19 energy levels. Previously unobserved transitions allowed for discrepancies in the resonance properties relevant to these two reactions to be resolved. In total, 41 transitions from 21 energy levels were measured in Ne 19 , with 21 of those transitions being previously unobserved. Of particular importance, transitions from two 3 / 2 + states with energies of 6423(3) and 6441(3) keV, crucial for accurate estimations of the F 18 ( p , α ) O 15 reaction rate, were found. Energies and spin-parities of important energy levels near the proton and α thresholds were measured and some of the discrepancies in previous measurements were resolved. Overall, measurement of the two near-threshold 3 / 2 + states reduced the calculated upper limit of the F 18 ( p , α ) O 15 reaction rate by factors of 1.5–17 in the nova temperature range.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

Strong light–matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mechanism that distinguishes between steering, accelerating, or decelerating a chemical reaction has, however, remained unclear, hampering progress in this frontier area of research. We leverage quantum-electrodynamical density-functional theory to unveil the microscopic mechanism behind the experimentally observed reduced reaction rate under cavity induced resonant vibrational strong light-matter coupling. We observe multiple resonances and obtain the thus far theoretically elusive but experimentally critical resonant feature for a single strongly coupled molecule undergoing the reaction. While we describe only a single mode and do not explicitly account for collective coupling or intermolecular interactions, the qualitative agreement with experimental measurements suggests that our conclusions can be largely abstracted towards the experimental realization. Specifically, we find that the cavity mode acts as mediator between different vibrational modes. In effect, vibrational energy localized in single bonds that are critical for the reaction is redistributed differently which ultimately inhibits the reaction.

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

Differential cross sections of the 16 O (𝑛,𝛼) reaction at neutron energies from 3.8 to 15 MeV

The importance of studying the 16 O (𝑛,𝛼) reaction is motivated by multiple nuclear applications which rely on an accurate nuclear reaction data library for oxygen. Discrepancies between past experimental data on the 16 O (𝑛,𝛼) 13 C reaction and its time-reverse 13 C ⁡(𝛼,𝑛) 16 O reaction have led to various different nuclear data evaluations. Here, we have measured 16 O (𝑛,𝛼) reaction cross sections using the LENZ instrument with the unmoderated white neutron source at LANSCE. Results from 2016/2017 data are discussed and used to benchmark the mcnp and geant simulations of the LENZ experimental setup. We report partial differential cross sections of 16 O (𝑛,𝛼 0 ) at 𝐸 𝑛 = 3.8–15 MeV and 16 O ⁡(𝑛,𝛼 1 +𝛼 2 +𝛼 3 ) at 𝐸 𝑛 =9–15 MeV, based on the new measurement in 2021. The resonances that we observed are in good agreement with the levels in 17 O that were previously measured. The LENZ cross sections are in better agreement with the ENDF/B-VIII.0 evaluation than the with reduced cross section found in ENDF/B-VII.1 up to 6 MeV. However, the current results for 16 O ⁡(𝑛,𝛼 0 ) 13 C g.s. appear to be in the best agreement over the entire energy range with that of JENDL/AN-2005 (ENDF/B-VI.0).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Self-consistent description of the halo nature of 31 Ne with continuum and pairing correlations

Here a relativistic structure model has previously been used to predict a halo structure for 31 Ne, consistent with halo signatures from measured reaction cross sections of Ne isotopes bombarding Carbon targets. However, previous attempts to calculate those cross sections with reaction models were missing contributions from resonances and pairing correlations in their structure input. Use a reaction model with our relativistic fully microscopic structure model input to predict these cross sections and momentum distributions and analyze for possible halo signatures. Structure input for exotic Ne isotopes were obtained via the analytical continuation of the coupling constant (ACCC) method based on the relativistic mean field (RMF) theory with Bardeen - Cooper - Schrieffer (BCS) pairing approximation, the RAB approach. Total reaction cross sections, one-neutron removal cross sections, and momentum distributions of breakup reaction products were calculated with a Glauber model using our relativistic structure input. Our predictions of total reaction and one-neutron removal cross sections of 31 Ne on a Carbon target were significantly enhanced compared with those of neighboring Neon isotopes, agreeing with measurements at 240 MeV/nucleon and consistent with a single neutron halo. Furthermore, our calculations of the inclusive longitudinal momentum distribution of the 30 Ne and valence neutron residues from the 31 Ne breakup reaction indicate a dilute density distribution in coordinate space, another halo signature. We give a full description of the halo nature of 31 Ne that includes a self-consistent use of pairing and continuum contributions that makes predictions consistent with reaction cross section measurements. This approach can be utilized to determine the halo structure of other exotic nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Chemically Fueled Transient Geometry Changes in Diphenic Acids

Transient changes in molecular geometry are key to the function of many important biochemical systems. Here, we show that diphenic acids undergo out-of-equilibrium changes in dihedral angle when reacted with a carbodiimide chemical fuel. Treatment of appropriately functionalized diphenic acids with EDC (N-(3-(dimethylamino)propyl)-N'-ethylcarbodiimide hydrochloride) yields the corresponding diphenic anhydrides, reducing the torsional angle about the biaryl bond by ~45°, regardless of substitution. In the absence of steric resistance, the reaction is well-described by a simple mechanism; the resulting kinetic parameters can be used to derive important properties of the system, such as yields and lifetimes. In conclusion, the reaction tolerates steric hindrance ortho to the biaryl bond, although the competing formation of (transient) byproducts complicates quantitative analysis.

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

Wave-driven torques to drive current and rotation

In the classic Landau damping initial value problem, where a planar electrostatic wave transfers energy and momentum to resonant electrons, a recoil reaction occurs in the nonresonant particles to ensure momentum conservation. To explain how net current can be driven in spite of this conservation, the literature often appeals to mechanisms that transfer this nonresonant recoil momentum to ions, which carry negligible current. However, this explanation does not allow the transport of net charge across magnetic field lines, precluding E X B rotation drive. In this study, we show that in steady state, this picture of current drive is incomplete. Using a simple Fresnel model of the plasma, we show that for lower hybrid waves, the electromagnetic energy flux (Poynting vector) and momentum flux (Maxwell stress tensor) associated with the evanescent vacuum wave become the Minkowski energy flux and momentum flux in the plasma and are ultimately transferred to resonant particles. Thus, the torque delivered to the resonant particles is ultimately supplied by the electromagnetic torque from the antenna, allowing the nonresonant recoil response to vanish and rotation to be driven. We present a warm fluid model that explains how this momentum conservation works out locally, via a Reynolds stress that does not appear in the one-dimensional initial value problem. This model is the simplest that can capture both the nonresonant recoil reaction in the initial-value problem, and the absence of a nonresonant recoil in the steady-state boundary value problem, thus forbidding rotation drive in the former while allowing it in the latter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗