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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Functionalized Polymer Thin Films for Plutonium Capture and Isotopic Screening from Aqueous Sources

The rapid screening of plutonium from aqueous sources remains a critical challenge for nuclear nonproliferation efforts. The determination of trace-level Pu isotopes in water requires offsite sample preparation and analysis; therefore, new methods that combine plutonium purification, concentration, and isotopic screening in a fieldable detection system will provide an invaluable tool for nuclear safeguards. This contribution describes the development and characterization of thin polymer-ligand films for the isolation and concentration of waterborne Pu for direct spectroscopic analyses. Submicron thin films were prepared through spin coating onto Si wafers and consisted of combinations of polystyrene (PS) with dibenzoylmethane, thenoyltrifluoroacetone, and di(2-ethylhexyl)phosphoric acid (HDEHP). Pu uptake studies from solutions at pH from 2.3 to 6.3 indicated that only films containing HDEHP exhibited significant recovery of Pu. High alpha spectroscopy peak energy resolutions were achieved for PS-HDEHP films over a range of film thicknesses from 30 to 250 nm. Furthermore, a separate study was performed to evaluate uptake from a primarily Pu(V) solution where it was observed that doubling the HDEHP loading in the film increased uptake of Pu by an order of magnitude. X-ray photoelectron spectroscopy (XPS) analysis revealed that HDEHP was highly concentrated within the first few nanometers of the film at the higher loading. XPS analysis also revealed that, in the presence of water, HDEHP was stripped from the surface layer of the film at circumneutral pH. While significant losses of ligand were seen in all samples, higher loadings of HDEHP resulted in measurable amounts of ligand retained after a 12-h soak in water. Findings of this study are being used to guide the development of thin-film composite membrane-based detection methods for the rapid, fieldable analysis of Pu in water.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Problem with gradual absorption in MSD/MSC calculations

Replacing classical exciton model with the better founded Multistep Direct (MSD) and Multistep Compound (MSC) mechanisms has been impeded by incapability of the latter models to describe central part of the neutron emission spectra at incident neutron energies of about 14 MeV and above. We have ascribed this deficiency to the decrease of absorption to the MSC mechanism resulting from the concept of gradual absorption. We were able to obtain very good reproduction of experimentally measured neutron spectra using MSD/MSC calculations when this option was turned off. Such treatment is, however, at odds with the fundamental distinction between MSD and MSC mechanisms that should proceed through the chain of open (P-space) and closed (Q-space) configurations respectively. By blocking gradual absorption we allow the first stage of MSC to be fully populated from the incident channel that at higher incident energies is impossible. We discuss various attempts of addressing the problem that, so far, remains open. In addition, we present an evidence for much tighter spin distribution of particle-hole states than normally assumed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Filtering states with total spin on a quantum computer

Starting from a general wave-function described on a set of spins or qubits, we propose several quantum algorithms to extract the components of this state on eigenstates of total spin S 2 and its z component S z . The method plays the role of total spin projection and gives access to the amplitudes of the initial state on a total spin basis. Here, the different algorithms have various degrees of sophistication depending on the requested tasks. They can either solely project onto the subspace with good total spin or completely uplift the degeneracy in this subspace. In the former case, when the projection on the total spin j is made, we show that the number of operations for the projection can be reduced from a quadratic to a linear dependence in j. After each measurement, the state collapses to one of the spin eigenstates that could be used for postprocessing. For this reason, we call the method total quantum spin filtering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Development of Operando Nuclear Magnetic Resonance Capabilities for Solid-State Battery Research

Mechanistic information regarding solid-solid interfaces in solid-state batteries remains elusive as its observation requires a non-destructive operando technique. Such a technique does not currently exist. Solid-state nuclear magnetic resonance (NMR) is uniquely suited to address this challenge as it is sensitive to chemistry, structure, and dynamics and can measure buried interfaces. However solid-state NMR requires high speed spinning of the sample at the ‘magic angle’ (MAS) to obtain adequate resolution. The metallic current collectors in a battery are detrimental to spinning in magnetic fields as they generate eddy currents which prevent spinning and dampen the NMR signal. Furthermore, the spinning nature of the MAS NMR experiment requires a wireless means of charging for operando capabilities. These challenges were addressed in this research and operando MAS NMR enabled by optical wireless charging was demonstrated. By limiting the size of the metallic components, we were able to spin a sample holder with electrical leads and a solid-state battery up to a few kilohertz, fast enough for high-resolution NMR. We achieved wireless charging by attaching a photovoltaic cell to the head of the NMR rotor and used a laser to transmit power to the photovoltaic cell. Demonstration of the optical wireless charging was performed by polarizing a liquid electrolyte during an operando MAS NMR measurement. This novel capability is a transformative technique for investigating the mechanistic electrochemical processes in solid-state samples.

25 ENERGY STORAGE↗
DOE OSTI2025

Synthesis of nanodiamonds encapsulated by zeolitic imidazole framework-8 for quantum sensing applications

Nitrogen vacancy (NV)-containing nanodiamonds are widely used in quantum sensing applications due to their high sensitivity to magnetic fields, relatively low cost, and ability to be initialized, manipulated, and read out at room temperature. Quantum sensing techniques such as optically detected magnetic resonance (ODMR) and spin relaxometry have exploited the sensitivity of the NV nanodiamonds to magnetic fields to detect a range of analytes, such as pH, metal ions, and biomolecules. However, diversifying the sensing targets accessible by NV diamond quantum sensors typically requires careful engineering of the diamond surface chemistry with stimuli-responsive functional groups. Here, a simple protocol for coating NV nanodiamonds with the zeolitic imidazole framework 8 (ZIF-8), a widely used metal-organic framework, is presented. ZIF-8 is a highly porous material that has been used as a selective sensor for gasses, metal ions, and other analytes. The material is well-characterized by x-ray diffraction, transmission electron microscopy, scanning electron microscopy, x-ray photoelectron spectroscopy, and luminescence spectroscopy. Encapsulation of NV nanodiamonds with a porous scaffold such as ZIF-8 provides a promising method for improving the selectivity for the quantum sensing of various analytes. Importantly, the ZIF-8 coating does not impact the luminescence properties of the NV diamond, which is a key readout in ODMR and spin relaxometry sensing approaches. Indeed, the ODMR spectra with and without the ZIF-8 shell is nearly identical. Moreover, the ZIF-8 coating increases the longitudinal spin relaxation time of the NV nanodiamond by a factor of 4 relative to aggregated diamond, a desirable outcome for spin relaxation-based quantum sensing. Metal-organic framework composites with nanodiamonds thus are an exciting strategy for enhancing NV nanodiamond performance in applications such as quantum sensing and quantum-enhanced nuclear magnetic resonance spectroscopy.

nitrogen vacancy nanodiamond↗
NASA NTRS1984

The study of the physics of cometary nuclei

The observations of comet P/Holmes 1892III, exhibiting two 8 to 10 magnitude bursts, were carefully analyzed. The phenomena are consistent with the grazing encounter of a small satellite with the nucleus. The grazing encounter produced, besides the first great burst, an active area on the nucleus, which was rotating retrograde with a period of 16.3 hr and inclination nearly 180 deg. After the final encounter, the spin period was essentially unchanged, but two areas became active, separated some 164 deg in longitude on the nucleus. After the first burst the total magnitude fell less than two magnitudes, while the nuclear region remained diffuse or complex, rarely if ever showing a stellar appearance. The fading was much more rapid after the second burst (barely naked eye at maximum) while the nucleus frequently stellar after the first day. It seems reasonable to conclude that the grazing encounter distributed a volume of large chunks in the neighborhood of the nucleus, maintaining activity for weeks.

Whipple, F. L.↗
NASA NTRS2003

Journey to the Center of a Neutron Star

A neutron star is not a place most would want to visit. This dense remnant of a collapsed star has a magnetic field billions of times stronger than Earth's, enough to shuffle your body's molecules long before you even land. The featureless surface is no fun either. Crushing gravity ensures that the star is a near perfect sphere, compressing all matter so that a sand-grain-sized scoop of neutron star material would weigh as much as a battleship on Earth. At least black holes offer the promise of funky singularity, time warps, and the Odyssean temptation to venture beyond a point of no return. What s a journey to a neutron star good for, one might ask? Well, for starters, it offers the possibility of confirming a theorized state of matter called quark-gluon plasma, which likely existed for a moment after the Big Bang and now might only exist in the superdense interiors of neutron stars. Beneath the neutron star crust, a kilometer-thick plate of crystalline matter, lies the great unknown. The popular theory is that the neutron star interior is made up of a neutron superfluid - a fluid without friction. With the help of two NASA satellites - the Rossi X-Ray Timing Explorer and the Chandra X-Ray Observatory - scientists are journeying to the center of a neutron star. Matter might be so compressed there that it breaks down into quarks, the building blocks of protons and neutrons, and gluons, the carrier of the strong nuclear force. To dig inside a neutron star, no simple drill bit will do. Scientists gain insight into the interior through events called glitches, a sudden change in the neutron star s precise spin rate. 'Glitches are one of the few ways we have to study the neutron star interior,' says Frank Marshall of NASA s Goddard Space Flight Center, who has used the Rossi Explorer to follow the escapades of the glitchiest of all neutron stars, dubbed the Big Glitcher and known scientifically as PSR J0537-6910.

Wanjek, Christopher↗
DOE OSTI2022

The Transverse Structure of the Deuteron with Drell-Yan

We propose to measure neutron and deuteron transversity TMDs. The quark transversity distributions of the nucleon are decoupled from the deuteron gluon transversity in the $Q^2$ evolution due to the chiral-odd property in the transversely-polarized target. The gluon transversity TMD only exists for targets of spin greater or equal to 1 and does not mix with quark distributions at leading twist, thereby providing a particularly clean probe of gluonic degrees of freedom. This experiment would be the first of its kind and would probe the gluonic structure of the deuteron, investigating exotic glue contributions in the nucleus not associated with individual nucleons. This experiment can be performed with the SpinQuest polarized target recently assembled for experiment E1039 and the spectrometer already in place in NM4. This new experimental setup would require very minimal modification to the target system and no modification to the detector package. An additional RF-circuit and target coil are necessary to RF-modulate across the domain of the Larmor frequency to manipulate the solid-state target spin population densities. Dedicated beam-time with this novel target system is required to achieve our physics goals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Microscopic investigation of the 8 Li(n,γ)Li 9 reaction

Background: The 8 Li (n, γ) 9 Li reaction plays an important role in several astrophysics scenarios. It cannot be measured directly and indirect experiments have so far provided only cross section limits. Theoretical predictions differ by an order of magnitude. Purpose: In this work we study the properties of 9 Li bound states and low-lying resonances and calculate the 8 Li(n, γ) 9 Li cross section within the no-core shell model with continuum (NCSMC) with chiral nucleon-nucleon and three-nucleon interactions as input. Methods: Here, the NCSMC is an ab initio method applicable to light nuclei that provides a unified description of bound and scattering states well suited to calculate low-energy nuclear scattering and reactions. For the capture cross section calculation, we adjust calculated thresholds to experimental values. Results: Our calculations reproduce the experimentally known bound states as well as the lowest 5/2 – resonance of 9 Li. We predict a 3/2 – spin-parity assignment for the resonance observed at 5.38 MeV. In addition to the very narrow 7/2 – resonance corresponding presumably to the experimental 6.43 MeV state, we find several other broad low-lying resonances. Conclusions: Our calculated 8 Li(n, γ) 9 Li cross section is within the limits derived from the 1998 National Superconducting Cyclotron Laboratory Coulomb-dissociation experiment. However, it is higher than cross sections obtained in recent phenomenological studies. It is dominated by a direct E1 capture to the ground state with a resonant contribution at ≈ 0.2 MeV due to E2/M1 radiation enhanced by the 5/2 – resonance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

The electron affinity of the uranium atom

The results of a combined experimental and computational study of the uranium atom are presented with the aim of determining its electron affinity. Experimentally, the electron affinity of uranium was measured via negative ion photoelectron spectroscopy of the uranium atomic anion, U – . Computationally, the electron affinities of both thorium and uranium were calculated by conducting relativistic coupled-cluster and multi-reference configuration interaction calculations. The experimentally determined value of the electron affinity of the uranium atom was determined to be 0.309 ± 0.025 eV. The computationally predicted electron affinity of uranium based on composite coupled cluster calculations and full four-component spin–orbit coupling was found to be 0.232 eV. Predominately due to a better convergence of the coupled cluster sequence for Th and Th – , the final calculated electron affinity of Th, 0.565 eV, was in much better agreement with the accurate experimental value of 0.608 eV. In both scenarios, the ground state of the anion corresponds to electron attachment to the 6d orbital.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Microscopic calculation of fission product yields for odd-mass nuclei

Fission data are essential inputs to reaction networks involved in nucleosynthesis simulations and nuclear forensics. In such applications as well as in the description of multichance fission, the characteristics of fission for odd-mass nuclei are just as important as those for even-even nuclei. The fission theories that aim at explicitly describing fission dynamics are typically based on some variant of the nuclear mean-field theory. In such cases, the treatment of systems with an odd number of particles is markedly more involved, both formally and computationally. In this article, we use the blocking prescription of the Hartree-Fock-Bogoliubov theory with Skyrme energy functionals to compute the deformation properties of odd-mass uranium isotopes. We show that the resulting fission fragment distributions depend quite significantly on the spin of the odd neutron. By direct calculation of the spin distribution of the fissioning nucleus, we propose a methodology to rigorously predict the charge and mass distributions in odd-mass nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Nuclear Structure and Decay Data for A=76 Isobars

The experimental nuclear spectroscopic data for known nuclides of mass number 76 (Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y) have been evaluated and presented together with Adopted properties for levels and γ rays. With the exception of structure data for 76 Ga nucleus, significant new data have been incorporated for all the other nuclides of A=76 since the previous 1995 update in ENSDF database and NDS publication 1995Si03. No data are yet available for excited states in 76 Fe, 76 Cu and 76 Y. Decay scheme characteristics for the decay of 76 Co, 76 Ni, and 76 Y are unknown while those for decays of 76 Cu and 76 Sr seem incomplete. For 76 Ni, very little structure data are available, and for 76 Ga and 76 As, only low-spin ( or so) information is available. Furthermore, this work supersedes the data presented in the previous (1995Si03) NDS evaluation of A=76.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Nuclear Structure and Decay Data for A=35 Isobars

Here, this work presents a comprehensive and critical evaluation of experimental nuclear spectroscopic data from reactions and decays for all 11 known nuclides with mass number 35 (Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca). Recommended values are produced for level energies, spins and parities, half-lives, and radiation properties including energies, branching ratios, and multipolarities of γ rays, as well as characteristics of β radiation decays, based on a rigorous assessment of all available experimental data. Discrepancies among existing results are carefully addressed. This work supersedes earlier full evaluations of A=35 published by 2011Ch48, 1990En08 (also 1998En04 update) and 1978En02.

Sun, Lijie [Michigan State University, East Lansin↗
DOE OSTI2023

Splitting photons: Singlet fission in nanocrystal-molecule hybrid structures

The goal of this research is to enable all the energy contained in sunlight to be harvested by making full use of the energy contained in the blue and green wavelengths of light. Current systems are unable to extract all of the energy available from photons in this wavelength range due to rapid relaxation processes that dissipate a fraction of the energy as heat. In this work, inexpensive, earth-abundant components capable of supporting multi-excitonic processes involving more than one tightly bound excited state are investigated as a way to exceed the Shockley-Queisser limit. This research will examine hybrid organic-inorganic nanostructures capable of singlet fission, a process by which one high-energy spin-singlet state is converted into two lower-energy spin-triplet states, and subsequent triplet exciton transfer. Specifically, the organic molecules diphenylhexatriene and tetracene that maximally absorb blue light and are known to exhibit singlet fission will be bound to lead chalcogenide nanocrystals. A variety of steady-state and time-resolved spectroscopic techniques will be used to study the transfer of energy from spin-triplet excitons that are created in the organic molecules to the nanoparticle acceptors. The hybrid nanostructures here will be fully characterized both in solution or thin film via electronic absorption and photoluminescence spectroscopy, nuclear magnetic resonance spectroscopy, high-resolution mass spectrometry, transmission electron microscopy, photoelectron spectroscopy, time correlated single photon counting and transient absorption experiments. The effect of molecular and nanocrystal structure on the electronic coupling between the hybrid components will be examined to establish fundamental relationships between structure and triplet energy transfer efficiency. The findings will be directly applicable to a potential tetracene-silicon platform that may ultimately enhance the power conversion efficiency of silicon solar cells.

30 DIRECT ENERGY CONVERSION↗