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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Synchrotron-Based Vacuum Ultraviolet Photoionization Mass Spectrometer-Coupled Microreactor To Probe Thermocatalysis

Vacuum ultraviolet photoionization (VUV-PI) mass spectrometry offers an isomer-selective and universal ionization with minimal fragmentation detection of organics in complex chemical systems such as pyrolysis and combustion. Here, in this study, we report a state-of-the-art experimental setup of a universal catalytic microreactor combined with a molecular beam to investigate the thermocatalytic oxidation of a heterogeneous system relevant for probing reactions at gas–solid interfaces. In strong contrast to traditional off-line analytical methods, this technique is capable of identifying and quantifying short-lived species (radicals) as well as stable products to decipher initial reaction steps via the detection of nascent products. The thermocatalytic oxidative degradation of exo-tetrahydrodicyclopentadiene (JP-10), a high energy-density hydrocarbon fuel, over solid titanium–aluminum–boron reactive mixed metal nanopowder (Ti-Al-B RMNP) is exploited to showcase potential applications. Overall, some 59 nascent gas-phase products are identified via photoionization efficiency (PIE) curves, including oxygenated species and hydrocarbons comprising closed-shell molecules and radicals. The critical temperature for complete oxidative decomposition of JP-10 was lowered by 450 K from 1400 K to 950 K, indicating an efficient thermocatalytic action of Ti-Al-B nanoparticles on JP-10. The enabling of a universal chemical microreactor along with VUV-PI mass spectrometry broadens the applicability of this technique to hydrocarbon fuel oxidation and pyrolysis characterization. This isomer-selective sensitive probing along with the detection of radical transients makes the aforementioned technique superior to other conventional analytical techniques such as microflow tube and pyrolysis-gas chromatography coupled with mass spectrometry for investigating similar pyrolysis reactions and comprehensive quantification.

Paul, Dababrata [Univ. of Hawaii at Manoa, Honolul↗
DOE OSTI2024

Trace anomaly form factors from lattice QCD

The hadron mass can be obtained through the calculation of the trace of the energy-momentum tensor in the hadron which includes the trace anomaly and sigma terms. The anomaly due to conformal symmetry breaking is believed to be an important ingredient for hadron mass generation and confinement. In this work, we will present the calculation of the glue part of the trace anomaly form factors of the pion up to Q 2 ∼ 4.3 GeV 2 and the nucleon up to Q 2 ∼ 1 GeV 2 . The calculations are performed on a domain wall fermion ensemble with overlap valence quarks at seven valence pion masses varying from ∼ 250 to ∼ 540 MeV , including the unitary point ∼ 340 MeV . We calculate the radius of the glue trace anomaly for the pion and the nucleon from the z expansion. By performing a two-dimensional Fourier transform on the glue trace anomaly form factors in the infinite momentum frame with no energy transfer, we also obtain their spatial distributions for several valence quark masses. The results are qualitatively extrapolated to the physical valence pion mass with systematic errors from the unphysical sea quark mass, discretization effects in the renormalization sum rule, and finite-volume effects to be addressed in the future. We find the pion’s form factor changes sign, as does its spatial distribution, for light quark masses. This explains how the trace anomaly contribution to the pion mass approaches zero toward the chiral limit. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Study of η(1405)/η(1475) in $J/\psi \to \gamma {K}_S^0{K}_S^0{\pi}^0$ decay

Using a sample of (10 . 09 ± 0 . 04) × 10 9 J/ψ decays collected with the BESIII detector, partial wave analyses of the decay $ J/\psi \to \gamma {K}_S^0{K}_S^0{\pi}^0$ are performed within the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass region below 1.6 GeV/ c 2 . The covariant tensor amplitude method is used in both mass independent and mass dependent approaches. Both analysis approaches exhibit dominant pseudoscalar and axial vector components, and show good consistency for the other individual components. Furthermore, the mass dependent analysis reveals that the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass spectrum for the pseudoscalar component can be well described with two isoscalar resonant states using relativistic Breit-Wigner model, i.e., the η (1405) with a mass of $1391.7\pm {0.7}_{-0.3}^{+11.3}$ MeV/ c 2 and a width of $60.8\pm {1.2}_{-12.0}^{+5.5}$ MeV, and the η (1475) with a mass of $1507.6\pm {1.6}_{-32.2}^{+15.5}$ MeV/ c 2 and a width of $115.8\pm {2.4}_{-10.9}^{+14.8}$ MeV. The first and second uncertainties are statistical and systematic, respectively. Alternate models for the pseudoscalar component are also tested, but the description of the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass spectrum deteriorates significantly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Sensitivity of Anthropogenic Cloud Droplet Number Change to Preindustrial Emission Inventories and Physics Parameterizations

Understanding the preindustrial (PI) to present-day (PD) change in cloud droplet number concentration (ΔNd) is important to constrain the anthropogenic influence on clouds and aid future model projections. Perturbed parameter ensemble simulations of PI and PD conditions in the Energy Exascale Earth System Model (E3SMv3) reveal two locations with consistent negative ΔNd signal across parameter space–the Southeastern US and the United Kingdom–despite a trend of positive ΔNd globally from increased fossil fuel consumption. These negative ΔNd signals are driven by higher anthropogenic biofuel emissions in the PI. By varying the PI aerosol mass and/or number emissions across these data sets' uncertainty ranges, we can change the magnitude and sign of ΔNd and the effective radiative forcing from aerosol-cloud interactions (ERFaci) regionally and globally, with near-zero ΔNd leading to near-zero ERFaci. These results highlight the need to constrain PI emission uncertainty to better understand Earth system responses to aerosol-cloud interactions.

Brown, Hunter Y. [University of Wyoming, Laramie, ↗
DOE OSTI2024

Lattice QCD Calculation of Electroweak Box Contributions to Superallowed Nuclear and Neutron Beta Decays

We present the first lattice QCD calculation of the universal axial γ W -box contribution □ γ W V A to both superallowed nuclear and neutron beta decays. This contribution emerges as a significant component within the theoretical uncertainties surrounding the extraction of | V u d | from superallowed decays. Our calculation is conducted using two domain wall fermion ensembles at the physical pion mass. To construct the nucleon four-point correlation functions, we employ the random sparsening field technique. Furthermore, we incorporate long-distance contributions to the hadronic function using the infinite-volume reconstruction method. Upon performing the continuum extrapolation, we arrive at □ γ W V A = 3.65 ( 7 ) lat ( 1 ) PT × 10 − 3 . Consequently, this yields a slightly higher value of | V u d | = 0.973 86 ( 11 ) exp ( 9 ) RC ( 27 ) NS , reducing the previous 2.1 σ tension with the CKM unitarity to 1.8 σ . Additionally, we calculate the vector γ W -box contribution to the axial charge g A , denoted as □ γ W V V , and explore its potential implications. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Study of $\pi^0$ Events in MicroBooNE and Applications to the Deep Learning LEE Search

We present a selection of events containing $\pi^0$ particles in the MicroBooNE detector. These events are used to understand the important pi0 background in the deep learning (DL) based electron low energy excess (e-LEE) analysis. The selection uses a new shower reconstruction algorithm based on tools in the DL reconstruction chain. We present the efficiency and energy resolution of the selection. We also present the planned use of these events in energy calibration using the reconstructed $\pi^0$ mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Low-energy Scattering and Effective Interactions of Two Baryons at $m_{\pi}\sim$ 450 MeV from Lattice Quantum Chromodynamics

The interactions between two octet baryons are studied at low energies using lattice QCD (LQCD) with larger-than-physical quark masses corresponding to a pion mass of $m_{\pi}\sim 450$ MeV and a kaon mass of $m_{K}\sim 596$ MeV. The two-baryon systems that are analyzed range from strangeness $S=0$ to $S=-4$ and include the spin-singlet and triplet $NN$, $\Sigma N$ ($I=3/2$), and $\Xi\Xi$ states, the spin-singlet $\Sigma\Sigma$ ($I=2$) and $\Xi\Sigma$ ($I=3/2$) states, and the spin-triplet $\Xi N$ ($I=0$) state. The $s$-wave scattering phase shifts, low-energy scattering parameters, and binding energies when applicable, are extracted using L\"uscher's formalism. While the results are consistent with most of the systems being bound at this pion mass, the interactions in the spin-triplet $\Sigma N$ and $\Xi\Xi$ channels are found to be repulsive and do not support bound states. Using results from previous studies at a larger pion mass, an extrapolation of the binding energies to the physical point is performed and is compared with experimental values and phenomenological predictions. The low-energy coefficients in pionless EFT relevant for two-baryon interactions, including those responsible for $SU(3)$ flavor-symmetry breaking, are constrained. The $SU(3)$ symmetry is observed to hold approximately at the chosen values of the quark masses, as well as the $SU(6)$ spin-flavor symmetry, predicted at large $N_c$. A remnant of an accidental $SU(16)$ symmetry found previously at a larger pion mass is further observed. The $SU(6)$-symmetric EFT constrained by these LQCD calculations is used to make predictions for two-baryon systems for which the low-energy scattering parameters could not be determined with LQCD directly in this study, and to constrain the coefficients of all leading $SU(3)$ flavor-symmetric interactions, demonstrating the predictive power of two-baryon EFTs matched to LQCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Thermal and Catalytic Decomposition of 2-Hydroxyethylhydrazine and 2-Hydroxyethylhydrazinium Nitrate Ionic Liquid

To develop chemical kinetics models for the combustion of ionic liquid-based monopropellants, identification of the elementary steps in the thermal and catalytic decomposition of components such as 2-hydroxyethylhydrazinium nitrate (HEHN) is needed but is currently not well understood. The first decomposition step in protic ionic liquids such as HEHN is typically the proton transfer from the cation to the anion, resulting in the formation of 2-hydroxyethylhydrazine (HEH) and HNO 3 . In the first part of this investigation, the high-temperature thermal decomposition of HEH is probed with flash pyrolysis (<1400 K) and vacuum ultraviolet (10.45 eV) photoionization time-of-flight mass spectrometry (VUV-PI-TOFMS). Next, the investigation into the thermal and catalytic decomposition of HEHN includes two mass spectrometric techniques: (1) tunable VUV-PI-TOFMS (7.4-15 eV) and (2) ambient ionization mass spectrometry utilizing both plasma and laser ionization techniques whereby HEHN is introduced onto a heated inert or iridium catalytic surface and the products are probed. The products can be identified by their masses, their ionization energies, and their collision-induced fragmentation patterns. Further, formation of product species indicates that catalytic surface recombination is an important reaction process in the decomposition mechanism of HEHN. The products and their possible elementary reaction mechanisms are discussed.

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

Gaussian mixture model clustering algorithms for the analysis of high-precision mass measurements

The development of the phase-imaging ion-cyclotron resonance (PI-ICR) technique for use in Penning trap mass spectrometry (PTMS) increased the speed and precision with which PTMS experiments can be carried out. In PI-ICR, data sets of the locations of individual ion hits on a detector are created showing how ions cluster together into spots according to their cyclotron frequency. Ideal data sets would consist of a single, 2D-spherical spot with no other noise, but in practice data sets typically contain multiple spots, non-spherical spots, or significant noise, all of which can make determining the locations of spot centers non-trivial. A method for assigning groups of ions to their respective spots and determining the spot centers is therefore essential for further improving precision and confidence in PI-ICR experiments. Here, we present the class of Gaussian mixture model (GMM) clustering algorithms as an optimal solution. We show that on simulated PI-ICR data, several types of GMM clustering algorithms perform better than other clustering algorithms over a variety of typical scenarios encountered in PI-ICR. The mass spectra of 163Gd, 163 mGd, 162 Tb, and 162 mTb measured using PI-ICR at the Canadian Penning trap mass spectrometer were checked using GMMs, producing results that were in close agreement with the previously published values.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Search for the doubly charmed baryon $ {\varXi}_{cc}^{+} $ in the $ {\varXi}_c^{+}{\pi}^{-}{\pi}^{+} $ final state

A search for the doubly charmed baryon $ {\varXi}_{cc}^{+} $ is performed in the $ {\varXi}_c^{+}{\pi}^{-}{\pi}^{+} $ invariant-mass spectrum, where the $ {\varXi}_c^{+} $ baryon is reconstructed in the pK - π + final state. The study uses proton-proton collision data collected with the LHCb detector at a centre- of-mass energy of 13 TeV, corresponding to a total integrated luminosity of 5.4 fb -1 . No significant signal is observed in the invariant-mass range of 3.4–3.8 GeV/ c 2 . Upper limits are set on the ratio of branching fractions multiplied by the production cross-section with respect to the $ {\varXi}_{cc}^{++} $ →( $ {\varXi}_c^{+} $ → pK - π + ) π + decay for different $ {\varXi}_{cc}^{+} $ mass and lifetime hypotheses in the rapidity range from 2.0 to 4.5 and the transverse momentum range from 2.5 to 25 GeV/ c . The results from this search are combined with a previously published search for the $ {\varXi}_{cc}^{+} $ → $ {\varLambda}_c^{+} $ K - π + decay mode, yielding a maximum local significance of 4.0 standard deviations around the mass of 3620 MeV/ c 2 , including systematic uncertainties. Taking into account the look-elsewhere effect in the 3.5–3.7 GeV/ c 2 mass window, the combined global significance is 2.9 standard deviations including systematic uncertainties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Hyperon III: $$K^{-}p - \pi \varSigma $$ coupled-channel dynamics in the $$\varLambda (1405)$$ mass region

Abstract Low-energy data on the three charge states in $$\gamma p \rightarrow K^+(\varSigma \pi )$$ γ p → K + ( Σ π ) from CLAS at JLab, on $$K^-p\rightarrow \pi ^0\pi ^0\varLambda $$ K - p → π 0 π 0 Λ and $$\pi ^0\pi ^0\varSigma $$ π 0 π 0 Σ from the Crystal Ball at BNL, bubble chamber data on $$K^-p\rightarrow \pi ^-\pi ^+\pi ^{\pm }\varSigma ^{\mp }$$ K - p → π - π + π ± Σ ∓ , low-energy total cross sections on $$K^-$$ K - induced reactions, and data on the $$K^-p$$ K - p atom are fitted with the BnGa partial-wave-analysis program. We find that the data can be fitted well with just one isoscalar spin-1/2 negative-parity pole, the $$\varLambda (1405)$$ Λ ( 1405 ) , and background contributions. In a fit with one isocsalar state, the $$\varLambda (1405)$$ Λ ( 1405 ) structure can be determined as a dominantly SU(3) singlet state. A fit with two isoscalar singlet states, with imposed properties of the low-mass state, is, however, also not incompatible with data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

New Theories for Neutrino Masses and Dark Matter

The main goal of the project is to investigate new theories for neutrino masses and dark matter, and understand their testability in different experiments. The PI proposed several mechanisms for neutrino masses in the context of B-L theories, left-right symmetric theories, supersymmetric theories and grand unified theories. The PI would like to investigate new ways to understand the origin of neutrino masses where the seesaw scale is in the multi-TeV region. One can have a multi-TeV seesaw scale in scenarios where the same symmetry relevant for neutrino masses defines the dark matter relic density, or in the minimal supersymmetric theory based on local B-L. In these theories one can have new ways to understand the testability of the origin of neutrino masses at colliders and low energy experiments. In these theories one predicts the possibility to observe lepton number violating signatures at the LHC, one can predict large contributions to lepton number violating processes such as mu to e conversion, neutrinoless double beta decay experiments and others. The nature of the dark matter in the Universe is one of the most important problems in cosmology. Two of the most popular candidates are the Axions and the Weakly Interacting Massive Particles (WIMPs). The PI would like to investigate the implications of a new electroweak theta term similar to the QCD vacuum angle but in the SU(2) gauge sector of the SM which is physical if the baryon and lepton numbers are broken symmetries. We will investigate the implications of having a new electroweak theta term dark matter portal, the implications for baryogenesis and understand the constraints coming from different experiments such as the searches for electric dipole moments and axion experiments. The implications of having the electroweak theta term in theories with different sources of baryon and lepton number violation will be investigated. WIMPs are perhaps the most appealing candidates for many reasons. The PI would like to investigate the properties of WIMPs in different gauge theories, study the implications of the cosmological bounds on the WIMPs relic density for the symmetry breaking scale in models for new physics. The PI would like to investigate in great detail the predictions for gamma lines, neutrino lines and other striking signatures which can be present in these theories. These studies can have a profound impact in the testability of different theories for physics beyond the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of the helicity asymmetry $${\mathbb {E}}$$ for the $$\vec {\gamma }\vec {p} \rightarrow p \pi ^0$$ reaction in the resonance region: The CLAS Collaboration

Abstract The double-spin-polarization observable $${\mathbb {E}}$$ E for $$\vec {\gamma }\vec {p}\rightarrow p\pi ^0$$ γ → p → → p π 0 has been measured with the CEBAF Large Acceptance Spectrometer (CLAS) at photon beam energies $$E_\gamma $$ E γ from 0.367 to $$2.173~\textrm{GeV}$$ 2.173 GeV (corresponding to center-of-mass energies from 1.240 to $$2.200~\textrm{GeV}$$ 2.200 GeV ) for pion center-of-mass angles, $$\cos \theta _{\pi ^0}^{c.m.}$$ cos θ π 0 c . m . , between $$-$$ - 0.86 and 0.82. These new CLAS measurements cover a broader energy range and have smaller uncertainties compared to previous CBELSA data and provide an important independent check on systematics. These measurements are compared to predictions as well as new global fits from The George Washington University, Mainz, and Bonn-Gatchina groups. Their inclusion in multipole analyses will allow us to refine our understanding of the single-pion production contribution to the Gerasimov-Drell-Hearn sum rule and improve the determination of resonance properties, which will be presented in a future publication.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Binding energies, charge radii, spins, and moments: Odd-odd Ag isotopes and discovery of a new isomer

We report on the masses and hyperfine structure of ground and isomeric states in 114,116,118,120 Ag isotopes, measured with the phase-imaging ion-cyclotron-resonance technique (PI-ICR) with the JYFLTRAP mass spectrometer and the collinear laser spectroscopy beamline at the Ion Guide Isotope Separator On-Line facility, Jyväskylä, Finland. We measured the masses and excitation energies, electromagnetic moments, and charge radii, and firmly established the nuclear spins of the long-lived states. A new isomer was discovered in 118 Ag and the half-lives of 118 Ag long-lived states were reevaluated. We unambiguously pinned down the level ordering of all long-lived states, placing the inversion of the 𝐼 = 0 − and 𝐼 = 4 + states at 𝐴 = 118 (𝑁 = 71). As a result, we compared the electromagnetic moments of each state to empirical single-particle moments to identify the dominant configuration where possible.

90 ≤ A ≤ 149↗