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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 OSTI2025

Production and Purification of Terbium-155 Using Natural Gadolinium Targets

Terbium-155 (t 1/2 = 5.32 days) is one of four medically relevant radioisotopes of terbium. It is of interest to the field as a suitable diagnostic counterpart for therapeutic radiolanthanides, as its decay scheme includes γ-rays that are suitable for single photon emission computed tomography (SPECT) imaging. Additionally, 155 Tb has an Auger electron (AE) yield that is viable for AE therapy. There are several direct and indirect production routes that can produce 155 Tb. Two possible direct routes include proton irradiation on gadolinium targets via 155 Gd(p,n) 155 Tb and 156 Gd(p,2n) 155 Tb. The 155 Gd(p,n) 155 Tb reaction is accessible at incident proton beam energies of ∼10 MeV, whereas the 156 Gd(p,2n) 155 Tb nuclear reaction requires ∼18 MeV. This study aims to investigate the production of 155 Tb from natGd through the nat Gd(p,x) nuclear reaction, wherein both (p,n) and (p,2n) reactions were leveraged, and the purification using a three-column ion chromatography method. Using this system, recoveries of radioterbium of up to 97% were achieved in addition to high recoveries of the Gd target material, illustrating the suitability of this technique for enriched targets.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Light-Promoted C(sp 3 )–C(sp 3 ) Reductive Elimination from Dialkyl NiII Complexes

Ni-catalyzed cross-coupling is a powerful strategy to forge C(sp 3 )–C(sp 3 ) bonds. Typically, to do so requires overcoming a challenging C–C bond-forming reductive elimination, often enabled by the intermediacy of highly oxidized Ni species or outer-sphere processes. While direct C(sp 3 )–C(sp 3 ) reductive elimination from the Ni II base oxidation state is normally thermally inaccessible, light-activation provides an avenue to affect such transformations. Here, we investigate the mechanism of light-induced C(sp 3 )–C(sp 3 ) bond formation from dialkyl bipyridine Ni II complexes through a variety of organometallic, spectroscopic, and computational studies. Wavelength-dependent quantum yields, ligand electronics–reactivity relationships, excited-state lifetimes, computed barriers, and product distributions from crossover studies support a photolysis/radical rebound mechanism. Furthermore, this reactivity paradigm complements existing strategies in the literature to promote reductive elimination from Ni II , such as the use of destabilizing, sterically hindered ligands and reduction of electron density at Ni through the binding of electron-deficient olefins. Hence, we envision that light-induced reductive elimination may enable the development of challenging C(sp 3 )–C(sp 3 ) couplings.

Alkyls↗
DOE OSTI2023

Every-other-layer dipolar excitons in a spin-valley locked superlattice

Monolayer semiconducting transition metal dichalcogenides possess broken inversion symmetry and strong spin-orbit coupling, leading to a unique spin-valley locking effect. In 2H stacked pristine multilayers, spin-valley locking yields an electronic superlattice structure, where alternating layers correspond to barriers and quantum wells depending on the spin-valley indices. Here, in this work, we show that the spin-valley locked superlattice hosts a kind of dipolar exciton with the electron and hole constituents separated in an every-other-layer configuration: that is, either in two even or two odd layers. Such excitons become optically bright via hybridization with intralayer excitons. This effect is also manifested by the presence of multiple anti-crossing patterns in the reflectance spectra, as the dipolar exciton is tuned through the intralayer resonance by an electric field. The reflectance spectra further reveal an excited state orbital of the every-other-layer exciton, pointing to a sizable binding energy in the same order of magnitude as the intralayer exciton. As layer thickness increases, the dipolar exciton can form a one-dimensional Bose–Hubbard chain displaying layer number-dependent fine spectroscopy structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Multi-microscopy characterization of threading dislocations in CVD-grown diamond films

We present site-coincident imaging of a high dislocation density boron-doped chemical vapor deposition-grown homoepitaxial (001) diamond film using electron channeling contrast imaging (ECCI), cathodoluminescence, transmission electron microscopy (TEM), and scanning secondary ion mass spectroscopy (SIMS). With growing interest in large area heteroepitaxial substrates, we show that ECCI is a promising technique to accurately evaluate dislocations in diamond films. We find the electron backscatter yield is sufficient to distinguish individual threading dislocations in ECCI despite the low atomic number of carbon, and we have generally good agreement between dislocations observed in ECCI and TEM of the same region. Importantly, relying on luminescence in the 430 nm dislocation-related A-band alone results in an underestimation of the defect density as we find only 20%–40% of the threading dislocations luminesce. Here, we further show that dislocations do not perturb the spatial uniformity of boron doping measured by SIMS, even when the dislocations are clustered with high density, and we can tentatively rule out strong segregation effects at the dislocations. Our results establish the complementary use of microscopy and microanalysis methods to rapidly characterize and understand the impact of dislocations in diamond thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On the importance of excited state species in low pressure capacitively coupled plasma argon discharges

In the past three decades, first principles-based fully kinetic particle-in-cell Monte Carlo collision (PIC/MCC) simulations have been proven to be an important tool for the understanding of the physics of low pressure capacitive discharges. However, there is a long-standing issue that the plasma density determined by PIC/MCC simulations shows quantitative deviations from experimental measurements, even in argon discharges, indicating that certain physics may be missing in previous modeling of the low pressure radio frequency (rf) driven capacitive discharges. In this work, we report that the energetic electron-induced secondary electron emission (SEE) and excited state atoms play an important role in low pressure rf capacitive argon plasma discharges. The ion-induced secondary electrons are accelerated by the high sheath field to strike the opposite electrode and produce a considerable number of secondary electrons that lead to additional ionizing impacts and further increase of the plasma density. Importantly, the presence of excited state species even further enhances the plasma density via excited state neutral and resonant state photon-induced SEE on the electrode surface. The PIC/MCC simulation results show good agreement with the recent experimental measurements in the low pressure range (1–10 Pa) that is commonly used for etching in the semiconductor industry. At the highest pressure (20 Pa) and driving voltage amplitudes 250 and 350 V explored here, the plasma densities from PIC/MCC simulations considering excited state neutrals and resonant photon-induced SEE are quantitatively higher than observed in the experiments, requiring further investigation on high pressure discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Serial crystallography with multi-stage merging of thousands of images

KAMO and BLEND provide particularly effective tools to automatically manage the merging of large numbers of data sets from serial crystallography. The requirement for manual intervention in the process can be reduced by extending BLEND to support additional clustering options such as the use of more accurate cell distance metrics and the use of reflection-intensity correlation coefficients to infer `distances' among sets of reflections. This increases the sensitivity to differences in unit-cell parameters and allows clustering to assemble nearly complete data sets on the basis of intensity or amplitude differences. If the data sets are already sufficiently complete to permit it, one applies KAMO once and clusters the data using intensities only. When starting from incomplete data sets, one applies KAMO twice, first using unit-cell parameters. In this step, either the simple cell vector distance of the original BLEND or the more sensitive NCDist is used. This step tends to find clusters of sufficient size such that, when merged, each cluster is sufficiently complete to allow reflection intensities or amplitudes to be compared. One then uses KAMO again using the correlation between reflections with a common hkl to merge clusters in a way that is sensitive to structural differences that may not have perturbed the unit-cell parameters sufficiently to make meaningful clusters. Many groups have developed effective clustering algorithms that use a measurable physical parameter from each diffraction still or wedge to cluster the data into categories which then can be merged, one hopes, to yield the electron density from a single protein form. Since these physical parameters are often largely independent of one another, it should be possible to greatly improve the efficacy of data-clustering software by using a multi-stage partitioning strategy. Here, one possible approach to multi-stage data clustering is demonstrated. The strategy is to use unit-cell clustering until the merged data are sufficiently complete and then to use intensity-based clustering. Using this strategy, it is demonstrated that it is possible to accurately cluster data sets from crystals that have subtle differences.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The primary gas phase hydration shell of hydroxide

The number of water molecules in hydroxide’s primary hydration shell has been long debated to be three from the interpretation of experimental data and four from theoretical studies. Here, we provide direct evidence for the presence of a fourth water molecule in hydroxide’s primary hydration shell from a combined study based on high-resolution cryogenic experimental photoelectron spectroscopy and high-level quantum chemical computations. Well-defined spectra of OH - (H 2 O) n clusters (n = 2 to 5) yield accurate electron binding energies, which are, in turn, used as key signatures of the underlying molecular conformations. Although the smaller OH - (H 2 O) 3 and OH - (H 2 O) 4 clusters adopt close-lying conformations with similar electron binding energies that are hard to distinguish, the OH - (H 2 O) 5 cluster clearly has a predominant conformation with a four-coordinated hydroxide binding motif, a finding that unambiguously determines the gas phase coordination number of hydroxide to be four.

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

Calibration and Performance of the ICARUS Detector at Fermilab

ICARUS is the largest Liquid Argon Time Projection Chamber (LArTPC) in operation and serves as the Far Detector of the Short Baseline Neutrino (SBN) program at Fermilab. Precise detector calibration is essential for reliable energy reconstruction and for maximizing the physics reach of the experiment. In this talk, I will describe the energy and timing calibration procedures developed at ICARUS. Thanks to the abundant flux of cosmic ray muons at the surface, the TPC response to ionization charge has been equalized across the detector, removing non-uniformities and in-transparency effects. A novel data-driven procedure has been used to tune the simulation of ionization signals and electronics noise yielding close agreement between Monte Carlo and data with minimal residual bias in reconstructed charge. In addition, the light detection system has been calibrated to sub-nanosecond timing resolution. This precision enables efficient cosmic background rejection and accurate synchronization of neutrino interactions with the time structure of both the Booster Neutrino Beam (BNB) and Neutrinos at the Main Injector (NuMI) beam. Together, these efforts demonstrate the robust performance of the detector and provide critical experience for future large LArTPCs, such as DUNE.

Vicenzi, Matteo [Brookhaven]↗
DOE OSTI2021

Plasmonically assisted channels of photoemission from metals

We analyze recently measured nonlinear photoemission spectra from Ag surfaces that reveal resonances whose energies do not scale with the applied photon energy but stay pinned to multiples of bulk plasmon energy $\hbar$ω p above the Fermi level. To elucidate these unexpected and peculiar features we investigate the spectra of plasmons generated in a solid by the optically pumped electronic polarization and their effect on photoemission. By combining quadratic response formalism for calculations of photoemission yield, a nonperturbative approach to inelastic electron scattering, and first-principles calculations for the electronic structure, we demonstrate the dependence of probability amplitude for single- and multiplasmon excitations on the basic parameters characterizing the photon pulse and the system. The resulting multiexcitation spectrum evolves towards a truncated plasmonic coherent state. Analogous concept is extrapolated to interpret plasmon generation by multiphoton excited electronic polarization. Based on this we elaborate a scenario that the thus created real plasmons act as supplementary frequency-locked pump field for non-Einsteinian plasmonically assisted channels of photoemission from metals. The established paradigm enables assignment and assessment of the observed linear $\hbar$ω p and nonlinear 2$\hbar$ω p electron yields from Ag. Such effects may be exploited for selective filtering of optical energy conversion in electronic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Ionization Yield in Silicon for eV-Scale Electron-Recoil Processes

The development of single charge resolving, macroscopic silicon detectors has opened a window into rare processes at the O(eV) scale. In order to reconstruct the energy of a given event, or model the charge signal obtained for a given amount of energy absorbed by the electrons in a detector, an accurate charge yield model is needed. In this paper we review existing measurements of charge yield in Silicon, focusing in particular on the region below 1 keV. We highlight a calibration gap between 12-50 eV (referred to as the "UV-gap") and employ a phenomenological model of impact ionization to explore the likely charge yield in this energy regime. Finally, we explore the impact of variations in this model on a test case, that of dark matter scattering off electrons, to illustrate the scientific impact of uncertainties in charge yield.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Secondary electron emission measurements from imidazolium-based ionic liquids

The electron-induced secondary electron emission (SEE) yields of imidazolium-based ionic liquids are presented for primary electron beam energies between 30 and 1000 eV. These results are important for understanding plasma synthesis of nanoparticles in plasma discharges with an ionic liquid electrode. Due to their low vapor pressure and high conductivity, ionic liquids can produce metal nanoparticles in low-pressure plasmas through reduction of dissolved metal salts. In this work, the low vapor pressure of ionic liquids is exploited to directly measure SEE yields by bombarding the liquid with electrons and measuring the resulting currents. The ionic liquids studied are [BMIM][Ac], [EMIM][Ac], and [BMIM][BF 4 ]. The SEE yields vary significantly over the energy range, with maximum yields of around 2 at 200 eV for [BMIM][Ac] and [EMIM][Ac], and 1.8 at 250 eV for [BMIM][BF 4 ]. Molecular orbital calculations indicate that the acetate anion is the likely electron donor for [BMIM][Ac] and [EMIM][Ac], while in [BMIM][BF 4 ], the electrons likely originate from the [BMIM] + cation. The differences in SEE yields are attributed to varying ionization potentials and molecular structures of the ionic liquids. These findings are essential for accurate modeling of plasma discharges and understanding SEE mechanisms in ionic liquids.

ionic liquids↗
DOE OSTI2021

Measurement of charge and light yields for 127 Xe L -shell electron captures in liquid xenon

Dark matter searches using dual-phase xenon time-projection chambers (LXe-TPCs) rely on their ability to reject background electron recoils (ERs) while searching for signal-like nuclear recoils (NRs). ER response is typically calibrated using β -decay sources, such as tritium, but these calibrations do not characterize events accompanied by an atomic vacancy, as in solar neutrino scatters off inner-shell electrons. Such events lead to emission of x rays and Auger electrons, resulting in higher electron-ion recombination and thus a more NR-like response than inferred from β -decay calibration. We present a cross-calibration of tritium β -decays and Xe 127 electron-capture decays (which produce inner-shell vacancies) in a small-scale LXe-TPC and give the most precise measurements to date of light and charge yields for the Xe 127 L -shell electron-capture in liquid xenon. We observe a 6.9 σ ( 9.2 σ ) discrepancy in the L -shell capture response relative to tritium β decays, measured at a drift field of 363 ± 14 V / cm ( 258 ± 13 V / cm ), when compared to simulations tuned to reproduce the correct β -decay response. In dark matter searches, use of a background model that neglects this effect leads to overcoverage (higher limits) for background-only multi-kiloton-year exposures, but at a level much less than the 1 - σ experiment-to-experiment variation of the 90% C.L. upper limit on the interaction rate of a 50 GeV / c 2 dark matter particle.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Measurements and models of enhanced recombination following inner-shell vacancies in liquid xenon

Electron-capture decays of 125 Xe and 127 Xe , and double-electron-capture decays of 124 Xe , are backgrounds in searches for weakly interacting massive particles (WIMPs) conducted by dual-phase xenon time projection chambers such as LUX-ZEPLIN (LZ). These decays produce signals with more light and less charge than equivalent-energy 𝛽 decays and correspondingly overlap more with WIMP signals. We measure three electron-capture charge yields in LZ: the 1.1 keV M-shell, 5.2 keV L-shell, and 33.2 keV K-shell at drift fields of 193 and 96.5 V/cm. The LL double-electron-capture decay of 124 Xe exhibits even more pronounced shifts in charge and light. We provide a first model of double-electron-capture charge yields using the link between ionization density and electron-ion recombination, and identify a need for more accurate calculations. Finally, we discuss the implications of the reduced charge yield of these decays and other interactions creating inner-shell vacancies for future dark matter searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Interferometric bunch length measurements of 3 MeV picocoulomb electron beams

We report picosecond bunch length measurements using an interferometric method for a 3 MeV electron beam having bunch charge ranging from 1 to 14 pC. The method senses the single-cycle sub-terahertz (THz) pulse emitted by each electron bunch as coherent transition radiation which, in turn, is analyzed using a Michelson-type interferometer, forming an interferogram that is then processed to yield the nominal electron bunch length. This sub-THz coherent radiation intensity was measured using a quasi-optical detector (QOD) operated at room temperature. This experiment was quite challenging since the divergence angle of the sub-THz pulse emitted by the low-energy electron bunch exceeds ±10°, and its pulse energy at the entrance to the detector was as low as 100 pJ. When compared to a conventional helium-cooled silicon composite bolometer designed for frequencies above 0.5 THz, the QOD provided much better signal-to-noise ratio in the ~80 GHz frequency range, which was critical for the successful measurement of the bunch length.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Muon Collider

Muons offer a unique opportunity to build a compact high-energy electroweak collider at the 10 TeV scale. A Muon Collider enables direct access to the underlying simplicity of the Standard Model and unparalleled reach beyond it. It will be a paradigm-shifting tool for particle physics representing the first collider to combine the high-energy reach of a proton collider and the high precision of an electron-positron collider, yielding a physics potential significantly greater than the sum of its individual parts. A high-energy muon collider is the natural next step in the exploration of fundamental physics after the HL-LHC and a natural complement to a future low-energy Higgs factory. Such a facility would significantly broaden the scope of particle colliders, engaging the many frontiers of the high energy community. The last European Strategy for Particle Physics Update and later the Particle Physics Project Prioritisation Panel in the US requested a study of the muon collider, which is being carried on by the International Muon Collider Collaboration. In this comprehensive document we present the physics case, the state of the work on accelerator design and technology, and propose an R\&D project that can make the muon collider a reality.

Accelerator Physics (physics.acc-ph)↗