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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Quantifying Uncertainties of Microscopic Nuclear Theories

The goal of this project was to produce modernized nuclear data libraries of light ion fusion reactions and actinide fission product yields. Such libraries are essential input in both stockpile science but also fundamental science (nucleosynthesis, superheavy nuclei). When such libraries are used to model complex processes involving exotic, very short-lived nuclei that have not been measured experimentally, the underlying nuclear data come from theoretical models, the predictive power of which needs to be quantified, together with its uncertainties. By teaming up nuclear theorists and statisticians, we built comprehensive theoretical frameworks based on the most fundamental theories of fusion and fission that we coupled for the first time with a Bayesian framework with machine learning techniques for uncertainty quantification. Our results include: (1) statistical emulators for neutron-alpha scattering, and the fission product mass yields of neutron-induced fission of 239 Pu, which will enable developers to generate random realizations of the corresponding data for uncertainty quantification (UQ) in applications; (2) the first complete and most accurate ab initio prediction of the S-factor for proton capture on 7 Be, which – combined with UQ – may become the recommended value at solar energies in the next review of solar fusion cross sections; (3) statistical emulators for fission mass yields in the neutron-induced fission of 239 Pu; (4) the first quantification of how uncertainties in nuclear forces impact fission properties that are relevant in nucleosynthesis simulations to explain how heavy elements are formed in the Cosmos.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measurement of electrons from beauty-hadron decays in $pp$ and Pb-Pb collisions at $\sqrt{s_{NN}}$ = $5.02$ TeV

The production of electrons from beauty-hadron decays was measured at midrapidity in proton-proton ($pp$) and central Pb-Pb collisions at center-of-mass energy per nucleon-nucleon pair $\sqrt{s_{NN}}$ = 5.02 TeV, using the ALICE detector at the LHC. The cross section measured in p p collisions in the transverse momentum interval $2$ < $p_T$ < $26$ $\mathrm{GeV}$ / $c$ was compared with models based on perturbative quantum chromodynamics calculations. The yield in the 10% most central Pb-Pb collisions, measured in the interval $2$ < $p_T$ < $26$ $\mathrm{GeV}$ / $c$, was used to compute the nuclear modification factor $R_{AA}$, extrapolating the $pp$ reference cross section to $p_T$ larger than 8 $\mathrm{GeV}$ / $c$. The measured $R_{AA}$ shows significant suppression of the yield of electrons from beauty-hadron decays at high $p_T$ and does not show a significant dependence above 8 $\mathrm{GeV}$ / $c$ within uncertainties. The results are described by several theoretical models based on different implementations of the interaction of heavy quarks with a quark-gluon plasma, which predict a smaller energy loss for beauty quarks compared to light and charm quarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Search for higgsinos decaying to two Higgs bosons and missing transverse momentum in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

Results are presented from a search for physics beyond the standard model in proton-proton collisions at $ \sqrt{s} $ = 13 TeV in channels with two Higgs bosons, each decaying via the process H → b$ \overline{\mathrm{b}} $, and large missing transverse momentum. The search uses a data sample corresponding to an integrated luminosity of 137 fb$^{−1}$ collected by the CMS experiment at the CERN LHC. The search is motivated by models of supersymmetry that predict the production of neutralinos, the neutral partners of the electroweak gauge and Higgs bosons. The observed event yields in the signal regions are found to be consistent with the standard model background expectations. The results are interpreted using simplified models of supersymmetry. For the electroweak production of nearly mass-degenerate higgsinos, each of whose decay chains yields a neutralino $ \left({\overset{\sim }{\upchi}}_1^0\right) $ that in turn decays to a massless goldstino and a Higgs boson, $ \left({\overset{\sim }{\upchi}}_1^0\right) $ masses in the range 175 to 1025 GeV are excluded at 95% confidence level. For the strong production of gluino pairs decaying via a slightly lighter $ \left({\overset{\sim }{\upchi}}_2^0\right) $ to H and a light $ \left({\overset{\sim }{\upchi}}_1^0\right) $, gluino masses below 2330 GeV are excluded.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Mass-asymmetric fission of 205,207,209 Bi at energies close to the fission barrier using proton bombardment of 204,206,208 Pb

Background: Recent observation of mass-asymmetric fission in neutron-deficient Hg and Pt nuclei has reignited interest in fission fragment mass distributions close to Pb. Investigations at energies close to the fission barrier, where mass-asymmetric fission is expected to be most obvious and the sensitivity to shell effects is maximized, are limited in this mass region. Purpose: To measure fission mass distributions for 205,207,209 Bi nuclei at the lowest possible excitation energies to determine how the mass distributions change with excitation energy and the neutron number of the compound nucleus. Method: Proton beams bombarding targets of 204,206,208 Pb were used to study the fission of 205,207,209 Bi at energies from just above to 10 MeV above their fission barriers. Fission fragments were measured using the CUBE fission spectrometer. Fission fragment mass distributions were determined using a newly developed time difference analysis method. Mass distributions were characterized by triple-Gaussian fits to determine the systematic trends across each isotope with excitation energy. Results: Measured mass distributions of all three Bi isotopes exhibit a component of mass-asymmetric fission at all energies studied. The probability of mass-asymmetric fission decreases significantly with increasing excitation energy, from ≈70 to ≈40% over a 10-MeV range. Comparisons between the three Bi isotopes hint at an increase in the mass-symmetric fission yield with increasing neutron number, which could be due to a decrease in the difference between the symmetric and asymmetric fission barriers. The centroids of the mass-asymmetric peaks suggest that several deformed shell gaps in the fission fragments could be contributing to the presence of the mass-asymmetric fission mode with Z light ≃ 38, Z heavy ≃ 45, and N light ≃ 56 all present in the fission fragments. Conclusions: Measurements of fission mass distributions at the lowest possible excitation energies above the fission barrier provide an excellent platform to investigate the origins of the mass-asymmetric fission mode. Finally, further systematic measurements at these energies offer an opportunity to rigorously test new models of fission in this mass region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Tailoring electron transfer pathway for photocatalytic N 2 -to-NH 3 reduction in a CdS quantum dots-nitrogenase system

The combination of abiotic photosensitizers with purified enzymes in a biohybrid system offers a promising pathway to utilizing light to accomplish challenging chemical transformations and provides insights into the rational photocatalytic system design for efficient solar-to-chemical energy conversion. In this work, we demonstrate a hybrid photocatalytic system for ammonia production from N2 by combining cadmium sulfide quantum dots (CdS QDs) and Mo-nitrogenase from Azotobacter vinelandii, composed of the iron protein (FeP) and the molybdenum-iron protein (MoFeP). Photoexcited electrons from the CdS QD are delivered by an electron transfer mediator through the FeP to the catalytic MoFeP. The complete system was optimized for the ligand on the CdS QDs, mediators, and reaction conditions. The best results were achieved with β-mercaptoethanol as a QD ligand. The mediator test revealed that 1,1'-bis(3-sulfonatopropyl)-4,4'-bipyridinium (SPr)2V (-0.4 V vs. NHE) supports the reduction of protons and N 2 to H 2 and ammonia catalyzed by nitrogenase. However, in the presence of 1,1'-trimethylene-2,2'-bipyridinium TQ (-0.54 V vs. NHE) as a mediator, nitrogenase catalysis resulted in remarkably more products. The UV-vis and in situ potentiometric studies revealed that better performance with TQ is achieved due to the significantly more negative solution potential allowing for efficient reduction of FeP. As a result, the quantum yield for conversion of absorbed photons to ammonia attains 16%, far exceeding that of previously reported nitrogenase-based systems. This work reveals the importance of tuning the electron transfer pathways in photocatalytic systems and illustrates a potent strategy for efficient electronic coupling of a photosensitizer and an N 2 reduction catalyst.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Searches for physics beyond the standard model with the M T2 variable in hadronic final states with and without disappearing tracks in proton–proton collisions at $\sqrt{s}$ = 13 TeV

Two related searches for phenomena beyond the standard model (BSM) are performed using events with hadronic jets and significant transverse momentum imbalance. The results are based on a sample of proton-proton collisions at a center-of-mass energy of 13 TeV, collected by the CMS experiment at the LHC in 2016-2018 and corresponding to an integrated luminosity of 137 fb$^{-1}$. The first search is inclusive, based on signal regions defined by the hadronic energy in the event, the jet multiplicity, the number of jets identified as originating from bottom quarks, and the value of the kinematic variable $M_\mathrm{T2}$ for events with at least two jets. For events with exactly one jet, the transverse momentum of the jet is used instead. The second search looks in addition for disappearing tracks produced by BSM long-lived charged particles that decay within the volume of the tracking detector. No excess event yield is observed above the predicted standard model background. This is used to constrain a range of BSM models that predict the following: the pair production of gluinos and squarks in the context of supersymmetry models conserving $R$-parity, with or without intermediate long-lived charginos produced in the decay chain; the resonant production of a colored scalar state decaying to a massive Dirac fermion and a quark; or the pair production of scalar and vector leptoquarks each decaying to a neutrino and a top, bottom, or light-flavor quark. In most of the cases, the results obtained are the most stringent constraints to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Search for production of four top quarks in final states with same-sign or multiple leptons in proton–proton collisions at $\sqrt{s}=13$ ${TeV}$

The standard model (SM) production of four top quarks ($\text {t} {}{\overline{\text {t}}} \text {t} {}{\overline{\text {t}}} $) in proton–proton collisions is studied by the CMS Collaboration. The data sample, collected during the 2016–2018 data taking of the LHC, corresponds to an integrated luminosity of 137$\,\text {fb}^{-1}$ at a center-of-mass energy of 13$\,\text {TeV}$. The events are required to contain two same-sign charged leptons (electrons or muons) or at least three leptons, and jets. The observed and expected significances for the $\text {t} {}{\overline{\text {t}}} \text {t} {}{\overline{\text {t}}} $ signal are respectively 2.6 and 2.7 standard deviations, and the $\text {t} {}{\overline{\text {t}}} \text {t} {}{\overline{\text {t}}} $ cross section is measured to be $12.6^{+5.8}_{-5.2}\,\text {fb} $. The results are used to constrain the Yukawa coupling of the top quark to the Higgs boson, $y_{\text {t}}$, yielding a limit of $|y_{\text {t}}/y_{\text {t}}^{\mathrm {SM}} | < 1.7$ at $95\%$ confidence level, where $y_{\text {t}}^{\mathrm {SM}}$ is the SM value of $y_{\text {t}}$. They are also used to constrain the oblique parameter of the Higgs boson in an effective field theory framework, $\hat{H}<0.12$. Limits are set on the production of a heavy scalar or pseudoscalar boson in Type-II two-Higgs-doublet and simplified dark matter models, with exclusion limits reaching 350–470$\,\text {GeV}$ and 350–550$\,\text {GeV}$ for scalar and pseudoscalar bosons, respectively. Upper bounds are also set on couplings of the top quark to new light particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Creating Favorable Pt/Co Interfaces via a Two‐Step Approach for Constructing Highly Durable PtCo Intermetallic Fuel Cell Catalysts

Structurally ordered PtCo intermetallics are one of the most promising oxygen-reduction catalysts in proton exchange membrane fuel cells (PEMFCs) due to their intrinsically improved catalytic activity and stability relative to PtCo solid-solution alloys. However, increasing the heating temperature to achieve a desirable high degree of ordering results in severe particle agglomeration and low mass activity and stability. Herein, a two-step synthesis approach is developed to create an L1 2 -Pt 3 Co intermetallic structure with an increased ordering degree and well-dispersed ultrafine particles. The first step of the synthesis yields ultrafine Pt nanoparticles that are well-dispersed on the ZIF-8-derived carbon support. The second adsorption step enables us to fine-tune the Pt and Co interfaces, assisted by optimal amino acids, to establish a favorable Co-rich environment around fine Pt nanoparticles, facilitating Co diffusion into the Pt crystalline under mild thermal conditions (<800 °C). In conclusion, this two-step ordered L1 2 -Pt 3 Co catalyst is systematically evaluated using membrane electrode assemblies under heavy-duty vehicle (HDV) conditions and demonstrated exceptional performance and durability, retaining 1.35 A cm -2 only a 7% loss in current density at 0.7 V after an extensive accelerated stress test of 150,000 voltage cycles.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Excited State Covalency, Dynamics, and Photochemistry of Square Planar Ni-Thiolate Complexes Revealed by Ultrafast X-ray Absorption

Highly covalent Ni bis(dithiolene) and related complexes provide an ideal platform for investigating the effects of metal–ligand orbital hybridization on excited state character and dynamics. In particular, we focus on the ligand field excited states that dominate the photophysics of first-row transition metal complexes. Here, we investigate if they can be significantly delocalized off the metal center, possibly yielding photochemical reactivity more similar to charge transfer excited states than metal-centered ligand field excited states. Here [Ni(mpo) 2 ] (mpo = 2-mercaptopyridine- N-oxide) provides a representative example for the larger chemical class and is an active electro- and photo-catalyst for proton reduction. A detailed characterization of the excited state electronic structure, dynamics, and photochemistry of [Ni(mpo) 2 ] is presented based on ultrafast transient X- ray absorption spectroscopy at the Ni and S 1s core absorption K-edges. By comparing the ultrafast Ni K-edge absorption to ab initio calculations, we identify an excited state relaxation mechanism where an initial ligand-to-metal charge transfer excitation results in both excited state electron transfer (generating a catalytically relevant reduced photoproduct [Ni(mpo) 2 ] − ) and relaxation to a pseudo-tetrahedral triplet ligand field excited state. From the ultrafast S K-edge absorption, the ligand field excited state is found to be highly delocalized onto the thiolate ligands and a tetrahedral structural distortion is shown to substantially influence the degree of delocalization. The results identify a significant structural coordinate to target when aiming to control the excited state covalency in square planar complexes.

Lim, Hyeongtaek [SLAC National Accelerator Laborat↗
DOE OSTI2024

ENDF/B-VIII.1: Thermal Neutron Scattering Sublibrary

The thermal neutron scattering law (TSL) sublibrary aims to describe the interaction of incident neutrons at thermal or sub-thermal energies with different compound materials such fuels, moderators and special-purpose materials. In ENDF/B-VIII.1 there was a large number of new and updated TSL evaluations, including traditional moderators (light water, Beryllium metal, Beryllium Oxide, Calcium Hydride, plastics (Polystyrene and Lucite), graphite (reactor-grade and crystalline), anhydrous Hydrogen Fluoride, and heavy paraffinic oil); exotic moderators (Beryllium Carbide, Zirconium Hydride, Yttrium Hydride, Lithium-7 Hydride and Deuteride), FLiBe molten salt, structural materials and cladding (Silicon Carbide, Silicon Dioxide, Zirconium Carbide), fuels (Plutonium Dioxide, Uranium Carbide, Uranium metal, Uranium Nitride, Uranium Dioxide, Uranium Hydride), and special purpose materials. In ENDF/B-VIII.1 we also distribute alongside the evaluated files, a comma-separated file (CSV), named TSL_MAT_numbers.csv, which lists all evaluated files in the current release and their corresponding unique MAT number.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Laser-initiated p – 11 B fusion reactions in petawatt high-repetition-rate laser facilities

Driving of the nuclear fusion reaction p + 11 B → 3α + 8.7 MeV under laboratory conditions by interaction between high-power laser pulses and matter has become a popular field of research, owing to its numerous potential applications: as an alternative to deuterium–tritium for fusion energy production, astrophysics studies, and alpha-particle generation for medical treatment. One possible scheme for laser-driven p– 11 B reactions is to direct a beam of laser-accelerated protons onto a boron (B) sample (the so-called “pitcher-catcher” scheme). This technique has been successfully implemented on large high-energy lasers, yielding hundreds of joules per shot at low repetition. We present here a complementary approach, exploiting the high repetition rate of the VEGA III petawatt laser at CLPU (Spain), aiming at accumulating results from many interactions at much lower energy, to provide better control of the parameters and the statistics of the measurements. Despite a moderate energy per pulse, our experiment allowed exploration of the laser-driven fusion process with tens (up to hundreds) of laser shots. The experiment provided a clear signature of the reactions involved and of the fusion products, accumulated over many shots, leading to an improved optimization of the diagnostics for experimental campaigns of this type. In this paper, we discuss the effectiveness of laser-driven p– 11 B fusion in the pitcher–catcher scheme, at a high repetition rate, addressing the challenges of this experimental scheme and highlighting its critical aspects. Our proposed methodology allows evaluation of the performance of this scheme for laser-driven alpha particle production and can be adapted to high-repetition-rate laser facilities with higher energy and intensity.

Alpha particles↗