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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A measurement of the proton’s spin structure function g2 at low Q2

JLab E08-027, a measurement of g2p and the longitudinal-transverse (LT) spin polarizability, successfully collected data from March to May, 2012. Nucleon spin structure study has been an active research area, which has attracted a very large effort from both experimentalists and theorists. The spin structure study for the last 2 decades has provided us with many exciting and often surprising results. Recently, new precision results in the low-to-intermediate momentum transfer Q2 region from JLab have provided extensive information on the nucleon structure in the confinement region and the transition region between asymptotic free to confinement. In particular, the extensive comparisons of experimental results with Chiral Perturbation Theory (the effective theory of QCD at low energy) calculations show general good agreements, but strong disagreement in the case of the neutron LT spin polarizability. This experiment completed the measurements of gp2 and the LT spin polarizability on the proton in the low-to-intermediate Q2 region. The experiment used a polarized proton (NH3) target for the first time in Hall A. Scattered electrons were detected by a pair of Hall A high resolution spectrometer (HRS) with a pair of septum magnets. To avoid too much depolarization of the target, beam current was limited to 50-100 nA during the experiment. Since the existing beam current monitors (BCMs), beam position monitors (BPMs) and calibration methods did not work at such a low current range, new BPM and BCM receivers were designed and used for current condition. A pair of super-harps and a tungsten calorimeter were installed to calibrate the BPMs and BCMs. To compensate for the effect of the 2.5/5T transverse magnet field, two chicane dipole magnets were installed. A pair of slow rasters were installed for the first time in Hall A, combining with a pair of fast raster. The standard Hall A DAQ system and the improved high resolution DAQ system were used to record the detector information and the helicity dependent beam information, respectively. In order to achieve the required accuracy of the beam position and angle and reconstruct them event by event at the target location, the data of the BPMs and harps were carefully analyzed. The final uncertainty of BCM after the calibration using the tungsten calorimeter is below 1%, which is important for the asymmetry extraction. Before the acceptance and the dilution factor are available, the models from fitting to the world data were used instead to extract the unpolarized cross section and the dilution factor. The longitudinal and transverse physics asymmetries were extracted and compared with the model, with the study of the radiative correction. The preliminary g1 and g2 results were then extracted using the measured asymmetry and the model.

Zhu, Pengjia↗
DOE OSTI2026

Non-Equilibrium Actinide Radiation Chemistry and the Nuclear Fuel Cycle

Actinides are inherently unstable elements that frequently coexist with other radioisotopes, generating intense ionizing radiation fields that drive the formation of non equilibrium oxidation states. These transient species exert a profound mechanistic influence on the radiation response of actinide containing systems due to their unique redox chemistry. Despite their importance, they remain poorly understood, yet such insight is essential for advancing actinide science and accurately predicting radiation driven behavior. Actinide separations—critical for nuclear energy technologies, strategic deterrence, space exploration, and nuclear medicine—depend on precise control of actinide oxidation states to recover targeted elements from complex matrices such as used nuclear fuel. However, during these processes, actinides, their coordination complexes, and the separation media are all exposed to intense, multicomponent (alpha, beta, gamma, etc.) radiation fields that can alter process efficiency, selectivity, and chemical stability. Understanding, controlling, and mitigating radiation induced reactions is therefore key to innovating and optimizing next generation separation technologies. This seminar will provide an overview of the nuclear fuel cycle and non equilibrium actinide radiation chemistry in the context of recovering actinides from used nuclear fuel, with a particular emphasis on direct dissolution–based reprocessing strategies. We will explore time resolved electron pulse radiolysis and alpha and gamma dose accumulation studies, integrated with multiscale computational modeling, to elucidate the molecular level roles of radiation driven, non equilibrium actinide species in process performance and in the radiolytic stability of organic ligands used for actinide recovery. These insights offer new pathways for designing advanced separation methods and next generation solvent systems, with broad implications for the future of the nuclear fuel cycle.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2017

Probing the Impact of Solvation on Photoexcited Spin Crossover Complexes with High-Precision X-ray Transient Absorption Spectroscopy

Investigating the photoinduced electronic and structural response of bistable molecular building blocks incorporating transition metals in solution phase constitutes a necessary stepping stone for steering their properties towards applications and perfomance optimizations. Here, this paper presents a detailed X-ray transient absorption (XTA) spectroscopy study of a prototypical spin crossover (SCO) complex [Fe II (mbpy) 3 ] 2+ (where mbpy=4,4’-dimethyl-2,2’-bipyridine) with a [Fe II N 6 ] first coordination shell in water (H 2 O) and acetonitrile (CH 3 CN). The unprecedented data quality of the XTA spectra together with the direct fitting of the difference spectra in k space using a large number of scattering paths enables resolving the subtle difference in the photoexcited structures of an Fe II complex in two solvents for the first time. Also, compared to the low spin (LS) 1 A 1 state, the average Fe-N bond elongations for the photoinduced high spin (HS) 5 T 2 state are found to be 0.181 ± 0.003 Å in H 2 O and 0.199 ± 0.003 Å in CH 3 CN. This difference in structural response is attributed to ligand-solvent interactions that are stronger in H 2 O than in CH 3 CN for the HS excited state. Our studies demonstrate that, although the metal center of [Fe II (mbpy) 3 ] 2+ could have been expected to be rather shielded by the three bidentate ligands with quasi-octahedral-coordination, the ligand field strength in the HS excited state is nevertheless indirectly affected by solvation that modifies the charge distribution within the Fe-N covalent bonds. More generally, this work highlights the importance of including solvation effects in order to develop a generalized understanding of the spin-state switching at the atomic level.

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

Improving qubit coherence time through detailed materials analysis

This study investigates the defects, imperfections, and variations in superconducting Nb thin films deposited on sapphire substrates. Two samples, W114 and W118, were fabricated using DC Magnetron Sputtering and Electron Cyclotron Resonance (ECR), respectively. Each sample was analyzed at five distinct spots to compare elemental homogeneity and thickness variations. Scanning Electron Microscopy (SEM) was employed to examine surface morphology, while Energy Dispersive X-ray Spectroscopy (EDS) and X-ray Photoelectron Spectroscopy (XPS) provided elemental and chemical state analyses. SEM revealed distinct structures in W114 and a uniform surface in W118. EDS showed higher aluminum and oxygen signals in W118, indicating a thicker film. XPS detected a higher Nb₂O₅ signal in W118, attributed to a thicker oxygen layer. These findings highlight the critical role of precise material characterization in advancing quantum computing technologies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Study of the effect of external heating and internal temperature build-up during polymerization on the morphology of porous polymethacrylate adsorbent

Modern day synthesis protocols of methacrylate monolithic polymer adsorbent are based on existing polymerization blueprint without a thorough understanding of the dynamics of pore structure and formation. This has resulted in unproductiveness of polymer adsorbent consequently affecting purity and recovery of final product, productivity, retention time and cost effectiveness of the whole process. The problems magnified in monolith scaling-up where internal heat buildup resulting from external heating and high exothermic polymerization reaction was reflected in cracking of the adsorbent. We believe that through careful and precise control of the polymerization kinetics and parameters, it is possible to prepare macroporous methacrylate monolithic adsorbents with controlled pore structures despite being carried out in an unstirred mould. This research involved the study of the effect of scaling-up on pore morphology of monolith, in other words, porous polymethacrylate adsorbents that were prepared via bulk free radical polymerization process by imaging the porous morphology of polymethacrylate with scanning electron microscope.

36 MATERIALS SCIENCE↗
DOE OSTI2014

REVISED BIG BANG NUCLEOSYNTHESIS WITH LONG-LIVED, NEGATIVELY CHARGED MASSIVE PARTICLES: UPDATED RECOMBINATION RATES, PRIMORDIAL {sup 9}Be NUCLEOSYNTHESIS, AND IMPACT OF NEW {sup 6}Li LIMITS

We extensively reanalyze the effects of a long-lived, negatively charged massive particle, X {sup –}, on big bang nucleosynthesis (BBN). The BBN model with an X {sup –} particle was originally motivated by the discrepancy between the {sup 6,} {sup 7}Li abundances predicted in the standard BBN model and those inferred from observations of metal-poor stars. In this model, {sup 7}Be is destroyed via the recombination with an X {sup –} particle followed by radiative proton capture. We calculate precise rates for the radiative recombinations of {sup 7}Be, {sup 7}Li, {sup 9}Be, and {sup 4}He with X {sup –}. In nonresonant rates, we take into account respective partial waves of scattering states and respective bound states. The finite sizes of nuclear charge distributions cause deviations in wave functions from those of point-charge nuclei. For a heavy X {sup –} mass, m{sub X} ≳ 100 GeV, the d-wave → 2P transition is most important for {sup 7}Li and {sup 7,} {sup 9}Be, unlike recombination with electrons. Our new nonresonant rate of the {sup 7}Be recombination for m{sub X} = 1000 GeV is more than six times larger than the existing rate. Moreover, we suggest a new important reaction for {sup 9}Be production: the recombination of {sup 7}Li and X {sup –} followed by deuteron capture. We derive binding energies of X nuclei along with reaction rates and Q values. We then calculate BBN and find that the amount of {sup 7}Be destruction depends significantly on the charge distribution of {sup 7}Be. Finally, updated constraints on the initial abundance and the lifetime of the X {sup –} are derived in the context of revised upper limits to the primordial {sup 6}Li abundance. Parameter regions for the solution to the {sup 7}Li problem and the primordial {sup 9}Be abundances are revised.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

PRODUCTION OF ALL THE r-PROCESS NUCLIDES IN THE DYNAMICAL EJECTA OF NEUTRON STAR MERGERS

Recent studies suggest that binary neutron star (NS-NS) mergers robustly produce heavy r-process nuclei above the atomic mass number A ∼ 130 because their ejecta consist of almost pure neutrons (electron fraction of Y {sub e} < 0.1). However, the production of a small amount of the lighter r-process nuclei (A ≈ 90-120) conflicts with the spectroscopic results of r-process-enhanced Galactic halo stars. We present, for the first time, the result of nucleosynthesis calculations based on the fully general relativistic simulation of a NS-NS merger with approximate neutrino transport. It is found that the bulk of the dynamical ejecta are appreciably shock-heated and neutrino processed, resulting in a wide range of Y {sub e} (≈0.09-0.45). The mass-averaged abundance distribution of calculated nucleosynthesis yields is in reasonable agreement with the full-mass range (A ≈ 90-240) of the solar r-process curve. This implies, if our model is representative of such events, that the dynamical ejecta of NS-NS mergers could be the origin of the Galactic r-process nuclei. Our result also shows that radioactive heating after ∼1 day from the merging, which gives rise to r-process-powered transient emission, is dominated by the β-decays of several species close to stability with precisely measured half-lives. This implies that the total radioactive heating rate for such an event can be well constrained within about a factor of two if the ejected material has a solar-like r-process pattern.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Deep Learning of Atomically Resolved Scanning Transmission Electron Microscopy Images: Chemical Identification and Tracking Local Transformations

Recent advances in scanning transmission electron and scanning probe microscopies have opened unprecedented opportunities in probing the materials structural parameters and various functional properties in real space with an angstrom-level precision. This progress has been accompanied by exponential increase in the size and quality of datasets produced by microscopic and spectroscopic experimental techniques. These developments necessitate adequate methods for extracting relevant physical and chemical information from the large datasets, for which a priori information on the structures of various atomic configurations and lattice defects is limited or absent. Here we demonstrate an application of deep neural networks to extracting information from atomically resolved images including location of the atomic species and type of defects. We develop a “weakly-supervised” approach that uses information on the coordinates of all atomic species in the image, extracted via a deep neural network, to identify a rich variety of defects that are not part of an initial training set. We further apply our approach to interpret complex atomic and defect transformation, including switching between different coordination of silicon dopants in graphene as a function of time, formation of peculiar silicon dimer with mixed 3-fold and 4-fold coordination, and the motion of molecular “rotor”. In conclusion, this deep learning based approach resembles logic of a human operator, but can be scaled leading to significant shift in the way of extracting and analyzing information from raw experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spectral Addressability in a Modular Two Qubit System

The combination of structural precision and reproducibility of synthetic chemistry is perfectly suited for the creation of chemical qubits, the core units of a quantum information science (QIS) system. By exploiting the atomistic control inherent to synthetic chemistry, we address a fundamental question of how the spin–spin distance between two qubits impacts electronic spin coherence. To achieve this goal, in this study we designed a series of molecules featuring two spectrally distinct qubits, an early transition metal, Ti 3+ , and a late transition metal, Cu 2+ with increasing separation between the two metals. The spectral separation between the two metals enables us to probe each metal individually in the bimetallic species and compare it with monometallic control samples. Coherence times found to be governed by the distance to nuclear spins on the other qubit’s ligand framework. This finding offers guidance for the design of spectrally addressable molecular qubits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Non-Equilibrium Actinide Radiation Chemistry and the Nuclear Fuel Cycle

Invited John and Naomi Fackler Lectureship in Chemistry and English seminar at Valparaiso University, IN, USA. Actinides are inherently unstable elements that frequently coexist with other radioisotopes, generating intense ionizing radiation fields that drive the formation of non-equilibrium oxidation states. These transient species exert a profound mechanistic influence on the radiation response of actinide-containing systems due to their unique redox chemistry. Despite their importance, they remain poorly understood, yet such insight is essential for advancing actinide science and accurately predicting radiation-driven behavior. Actinide separations—critical for nuclear energy technologies, strategic deterrence, space exploration, and nuclear medicine—depend on precise control of actinide oxidation states to recover targeted elements from complex matrices such as used nuclear fuel. However, during these processes, actinides, their coordination complexes, and the separation media are all exposed to intense, multicomponent (alpha, beta, gamma, etc.) radiation fields that can alter process efficiency, selectivity, and chemical stability. Understanding, controlling, and mitigating radiation-induced reactions is therefore key to innovating and optimizing next-generation separation technologies. This seminar will provide an overview of the nuclear fuel cycle and non-equilibrium actinide radiation chemistry in the context of recovering actinides from used nuclear fuel, with a particular emphasis on direct-dissolution–based reprocessing strategies. We will explore time-resolved electron pulse radiolysis and gamma dose accumulation studies to elucidate the molecular-level roles of radiation-driven, non-equilibrium actinide species in process performance and in the radiolytic stability of organic ligands used for actinide recovery. These insights offer new pathways for designing advanced separation methods and next-generation solvent systems, with broad implications for the future of the nuclear fuel cycle.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2020

Performance of a Front End prototype ASIC for picosecond precision time measurements with LGAD sensors

For the High-Luminosity phase of LHC, the ATLAS experiment is proposing the addition of a High Granularity Timing Detector (HGTD) in the forward region, to mitigate the effects of the increased pile-up. The chosen detection technology is Low Gain Avalanche Detector (LGAD) silicon sensors that can provide an excellent timing resolution below 50 ps. The front-end read-out ASIC must exploit the large signal derivative and small noise provided by the sensor, while keeping low power consumption. This paper presents the results on the first prototype of a front-end ASIC, named ALTIROC0, which contains the analog stages (preamplifier and discriminator) of the read-out chip. The ASIC was characterised both alone and as part of a module with a 2×2 LGAD array of 1.1×1.1 mm 2 pads bump-bonded to it. The various contributions of the electronics to the time resolution were investigated in test-bench measurements with a calibration setup. Both when the ASIC is alone or with a bump-bonded sensor, the jitter of the ASIC is better than 20 ps for an injected charge of 10 fC. The time walk effect, which arises from the different preamplifier response for various injected charges, can be corrected up to 10 ps using a Time Over Threshold measurement. The combined performance of the ASIC and the LGAD sensor, which was measured during a beam test campaign in October 2018 with pions of 120 GeV energy at the CERN SPS, is around 40 ps for all measured modules. All tested modules show good efficiency and time resolution uniformity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Exploring the Connection between Coherent Acoustic Phonons and Bright-Field Contrast in Ultrafast Electron Microscopy

Intense ultrafast photoexcitation of archetypal semiconducting materials, such as Ge and GaAs, ends in the rapid generation of large charge-carrier densities that propagate outward from the high-fluence region at initially hypersonic velocities. This produces a number of interesting effects that become interwoven with the underlying lattice; including the development of acoustic-type propagating oscillatory modes, excitation of coherent propagating strain waves, and coalescence of phase behaviors of the acoustic phonons and charge carriers via wave-particle drag. Using bright-field imaging in an ultrafast electron microscope, we directly imaged the behavior of photoexcited, nanoscale coherent strain waves in single-crystal Ge. In addition to single preferential wavevectors and initially hypersonic phase velocities (up to 35 nm/ps), we were able to directly resolve single-phonon constant velocities and an overall time-varying phase-velocity dispersion to the bulk speed of sound over approximately one nanosecond. Comparison to dispersion behaviors expected for symmetric and asymmetric Lamb-type modes showed good agreement with experiments, suggesting the preferential excitation of a single, symmetric first-order mode. Yet, quantitative comparison to the expected and measured contrast strengths associated with the coherent dynamics is needed in order to further elucidate the precise microscopic mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Nanoscale ultrafast lattice modulation with a free-electron laser

Ultrafast optical laser-based techniques have enabled the probing of atomistic processes at their intrinsic temporal scales with femto- and attosecond resolution. However, the long wavelengths of optical lasers have prevented their interrogation and manipulation with nanoscale spatial specificity. Advances in hard X-ray free-electron lasers have enabled progress in developing X-ray transient-grating spectroscopy, a technique that aims to coherently control elementary excitations with nanoscale X-ray standing waves. Thus far, the realization of this technique at the nanoscale has been a challenge. Here we demonstrate X-ray transient-grating spectroscopy with spatial periods of the order of 10 nm via the subfemtosecond synchronization of two hard X-ray pump pulses at a precisely controlled crossing angle. This creates a thermal grating and preferentially excites coherent longitudinal acoustic phonon modes with the transient-grating wavevector. On probing with a third, variably delayed, X-ray pulse with the same photon energy, time-and-wavevector-resolved measurements of the modulation of the induced scattering intensity provide evidence of ballistic thermal transport at nanometre scales. Finally, these results highlight the potential of X-ray transient gratings as a powerful platform for studying nanoscale transport in condensed matter and the coherent control of nanoscale dynamics.

nonlinear optics↗
DOE OSTI2014

Tunability of conduction at the LaAlO{sub 3}/SrTiO{sub 3} heterointerface: Thickness and compositional studies

The role of chemistry, film thickness, and oxygen pressure in influencing the electrical and thermal transport properties of LaAlO{sub 3}/SrTiO{sub 3} heterointerfaces is explored. Unit-cell precise growth was accomplished for films between 3 and 160 unit cells thick using reflection high-energy electron diffraction-assisted pulsed-laser deposition. Subsequent temperature-dependent studies of electrical resistivity reveal three important observations: (1) by tuning the laser fluence, we can systematically tune the interfacial conductance in a step-wise manner in this system, (2) all films exhibit a critical thickness of 3–4 unit cells for the onset of conduction, and (3) the nature of the conductance is highly influenced by the stoichiometry of the LaAlO{sub 3} film with La-deficient samples showing dramatic changes with thickness, while stoichiometric and La-excess films show little dependence. Time-domain thermoreflectance studies show a diminished interfacial thermal conductance for the La-deficient films when compared to La-excess and stoichiometric films, suggesting that the interfacial conductance is more influenced by extrinsic factors such as oxygen deficiency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Systematic error analysis in the absolute hydrogen gas jet polarimeter at RHIC

The Polarized Atomic Hydrogen Gas Jet Target polarimeter (HJET) is operated at the Relativistic Heavy Ion Collider (RHIC) since 2004 to measure the absolute polarization of each colliding proton beam. Polarimeter detectors and data acquisition were upgraded in 2015 to increase the solid angle, energy range, and to improve the energy and time resolution. These upgrades along with an improved beam intensity and polarization allowed us to greatly reduce the statistical and systematic errors for the proton polarization measurements in RHIC Runs 15 (E beam = 100 GeV) and 17 (255 GeV). For a typical 8 hour RHIC store, the measured proton beam average polarization was about P beam ~ 55 ± 2.0 stat ± 0.3 syst %. The elastic pp analyzing power, AN(t)~0.04, was determined with a precision of about |δA N (t)|~0.0002 in the momentum transfer squared range 0.001<-t<0.020 GeV 2 . In this paper we present a detailed systematic error analysis of the polarization measurements at HJET. Perspectives of using the HJET based absolute polarimeters in the future Electron Ion Collider (EIC) will be also discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Formation of the oxyl’s potential energy surface by the spectral kinetics of a vibrational mode

One of the most reactive intermediates for oxidative reactions is the oxyl radical, an electron-deficient oxygen atom. The discovery of a new vibration upon photoexcitation of the oxygen evolution catalysis detected the oxyl radical at the SrTiO3 surface. The vibration was assigned to a motion of the sub-surface oxygen underneath the titanium oxyl (Ti–O●−) created upon hole transfer to (or electron extraction from) a hydroxylated surface site. Evidence for such an interfacial mode is derived from its spectral shape, which exhibited a Fano resonance—a coupling of a sharp normal mode to continuum excitations. Here, this Fano resonance is utilized to derive precise formation kinetics of the oxyl radical and its associated potential energy surface (PES). From the Fano lineshape, the formation kinetics are obtained from the anti-resonance (the kinetics of the coupling factor), the resonance (the kinetics of the coupled continuum excitations), and the frequency integrated spectrum (the kinetics of the normal mode’s cross-section). All three perspectives yield logistic function growth with a half-rise of 2.3 ± 0.3 ps and a time constant of 0.48 ± 0.09 ps. A non-equilibrium transient associated with photoexcitation is separated from the rise of the equilibrated PES. The logistic function characterizes the oxyl coverage at the very initial stages (t ∼ 0) to have an exponential growth rate that quickly decreases toward zero as a limiting coverage is reached. Such time-dependent reaction kinetics identify a dynamic activation barrier associated with the formation of a PES and quantify it for oxyl radical coverage.

Chemistry↗
DOE OSTI2024

New MeV-Scale Capabilities in Large Neutrino LArTPCs Using Ambient Radiogenic and Cosmogenic Activity in MicroBooNE

Large neutrino liquid argon time projection chamber (LArTPC) experiments can broaden their physics reach by reconstructing and interpreting MeV-scale energy depositions present in their data. We use data from MicroBooNE, an 85 tonnes LArTPC exposed to Fermilab neutrino beams from 2015 until 2021, to demonstrate new calorimetric and particle discrimination capabilities for isolated $\sim \mathrm{O}(1 \mathrm{MeV})$ energy depositions referred to as blips. We observe a concentration of low energy ( $<3$ MeV ) blips around fiberglass mechanical support struts along the TPC edges with energy spectrum features consistent with the Compton edge of 2.614 MeV Tl-208 decay gamma rays. These features are used to verify proper calibration of electron energy scales in MicroBooNE's data to few percent precision and to measure the specific activity of Tl-208 in the fiberglass composing these struts. Cosmogenicallyproduced blips above 3 MeV in reconstructed energy are used to showcase the ability of large LArTPCs to distinguish between low-energy proton and electron energy depositions.

Andrade Aldana, Diego Armando↗