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DOE OSTI2025

Overview of oxygen opacity experiments at the National Ignition Facility and investigation of potential systematic errors

Experiments to measure oxygen opacity at stellar interior conditions have been performed at the National Ignition Facility in a Discovery Science campaign. These experiments utilize the Opacity-on-NIF platform with a sample comprised of O, Mg, and Si. The spectral data from the Opacity Spectrometer cover the 1000–2000 eV photon energy range showing bound-free continuum absorption from O and line absorption from Mg and Si. DANTE and the Gated X-ray Detector are employed to measure the sample plasma’s temperature and density, respectively. Initial data show lower transmission than expected by theoretical models, raising questions of whether potential background or data uniformity concerns could produce systematic errors in the inferred transmission. Here, we investigate three concerns thought to be important for the oxygen opacity data, including instrumental scattered background, sample self-emission non-uniformity, and backlight continuum non-uniformity. Additionally, we show the effect of a recently developed method to account for 2nd order crystal reflection. The total effect of these concerns on one experiment is found to be small compared to the observed difference between the inferred transmission and a model calculation at the inferred temperature and density. Thus, we conclude that these potential sources of systematic error cannot account for the observed difference, increasing the likelihood of a real effect due to the high temperature and density conditions. However, because this is only a single experiment, we cannot make a firm conclusion. More experiments measuring the opacity and necessary calibrations are needed to assess the reproducibility and uncertainty of this result.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

QM Investigation of Rare Earth Ion Interactions with First Hydration Shell Waters and Protein-Based Coordination Models

Here, conventional methods for extracting rare earth metals (REMs) from mined mineral ores are inefficient, expensive, and environmentally damaging. Recent discovery of lanmodulin (LanM), a protein that coordinates REMs with high-affinity and selectivity over competing ions, provides inspiration for new REM refinement methods. Here, we used quantum mechanical (QM) methods to investigate trivalent lanthanide cation (Ln 3+ ) interactions with coordination systems representing bulk solvent water and protein binding sites. Energy decomposition analysis (EDA) showed differences in the energetic components of Ln 3+ interaction with representatives of solvent (water, H 2 O) and protein binding sites (acetate, CH 3 COO – ), highlighting the importance of accurate description of electrostatics and polarization in computational modeling of REM interactions with biological and bioinspired molecules. Relative binding free energies were obtained for Ln 3+ with coordination complexes originating from binding sites in PDB structures of a lanthanum binding peptide (PDB entry 7CCO) and LanM, with explicit consideration of the first hydration shell waters, according to quasi-chemical theory (QCT). Beyond the first shell, the bulk solvent environment was represented with an implicit continuum model. Ln 3+ interactions with (H 2 O) 9 and both binding site models became more favorable, moving down the periodic series. This trend was more pronounced with the protein binding site models than with water, resulting in affinity increasing with periodic number, except for the last REM, Lu 3+ , which bound less favorably than the preceding element, Yb 3+ . Using the truncated 7CCO binding site model, the magnitude and trend of the experimental Ln 3+ relative binding free energies for the whole 7CCO peptide were reproduced. Conversely, the previously reported experimental data for LanM show a preference for the earlier lanthanides; this is likely due to longer-range interactions and cooperative effects, which are not represented by the reduced models. Using the truncated 7CCO binding site model, the magnitude and trend of the experimental Ln 3+ relative binding free energies for the whole 7CCO peptide were reproduced. In contrast to the previously reported experimental data for LanM, the peptide preferentially binds the earlier lanthanides. This difference likely arises due to longer-range interactions and cooperative effects not represented by the peptide. Further investigation of Ln 3+ interactions with whole proteins using polarizable molecular mechanics models with explicit solvent is warranted to understand the influence of longer-ranged interactions, cooperativity, and bulk solvent. Nevertheless, the present work provides new insights into Ln 3+ interactions with biomolecules and presents an effective computational platform for designing specific single-site REM binding peptides more efficiently.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Study of e + e - → η Φ via initial state radiation at Belle

Using 980 fb -1 of data collected on and around the (n = 1, 2, 3, 4, 5) resonances with the Belle detector at the KEKB collider, we measure the cross section of e + ⁢e - → η⁢Φ from threshold to 3.95 GeV via initial state radiation. There are clear Φ⁡(1680) and J/ψ signals but no significant Φ⁡(2170) signal in the ηΦ final state. The branching fraction $\mathscr{B}$⁡[J/ψ →η⁢Φ] is measured to be (7.2 ±0.8 ±0.5) ×10 -4 . The resonant parameters of Φ⁡(1680) are determined to be m Φ(1680) = (1696±8±10) MeV/c 2 (statistical and systematic errors, respectively), Γ Φ⁡(1680) =(175±13±16) MeV and, depending on the possible presence of predominantly constructive or destructive interference between Φ⁡(1680) and continuum production, Γ$^{e^+e^-}_{Φ⁡(1680)}$·$\mathscr{B}$⁡[Φ⁡(1680)→ηΦ] and $\mathscr{B}$⁡[Φ(1680)→η⁢Φ] are determined to be (75 ±10 ±11) eV and (25±12±2)% or (207±16±20) eV and (23 ±10 ±2)%, respectively. The upper limit for Γ$^{e^+e^-}_{Φ⁡(2170)}$·$\mathscr{B}$⁡[Φ⁡(2170) → ηΦ] is determined to be either 0.17 or 18.6 eV at the 90% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Search for 𝑃 𝑐$\overline{𝑐}$𝑠 ⁢(4459) 0 and 𝑃 𝑐$\overline{𝑐}$𝑠 (4338) 0 in ϒ(1𝑆,2𝑆) Inclusive Decays at Belle

Using data samples of 102 million ϒ⁡(1⁢𝑆) events and 158 million ϒ⁡(2⁢𝑆) events collected by the Belle detector at the KEKB asymmetric-energy 𝑒+⁢𝑒− collider, we search for [𝑢⁢𝑑⁢𝑠⁢𝑐$\overline{𝑐}$ ] pentaquark states decaying to 𝐽/𝜓⁢Λ. Using the first observations of ϒ⁡(1⁢𝑆,2⁢𝑆) inclusive decays to 𝐽/𝜓⁢Λ, we find evidence of the 𝑃 𝑐$\overline{𝑐}$𝑠 ⁢(4459) 0 state with a local significance of 3.3 standard deviations, including statistical and systematic uncertainties. We measure the mass and width of the 𝑃 𝑐$\overline{𝑐}$𝑠 ⁢(4459) 0 to be (4471.7±4.8±0.6) MeV/𝑐 2 and (22 ±13 ±3) MeV, respectively. The branching fractions for 𝑃 𝑐$\overline{𝑐}$𝑠 ⁢(4459) 0 production are measured to be ℬ⁡[ϒ⁡(1⁢𝑆)→𝑃 𝑐$\overline{𝑐}$𝑠 ⁢(4459)0/ $\overline{𝑃}$ 𝑐$\overline{𝑐}$𝑠 ⁢(4459) 0 +anything]=(3.5±2.0±0.2)×10 −6 and ℬ⁡[ϒ⁡(2⁢𝑆)→𝑃 𝑐$\overline{𝑐}$𝑠 ⁢(4459) 0 /$\overline{𝑃}$ 𝑐$\overline{𝑐}$𝑠 ⁢(4459) 0 +anything]=(2.9±1.7±0.4)×10 −6 . The inclusive branching fractions of ϒ⁡(1⁢𝑆,2⁢𝑆) →𝐽/𝜓⁢Λ/$\overline{Λ}$ are measured to be ℬ⁡[ϒ⁡(1⁢𝑆) →𝐽/𝜓⁢Λ/$\overline{Λ}$ +anything] =(36.9 ±5.3 ±2.4) ×10 −6 and ℬ⁡[ϒ⁡(2⁢𝑆) →𝐽/𝜓⁢Λ/$\overline{Λ}$ +anything] =(22.3 ±5.7 ±3.1) ×10 −6 . We measure the visible cross section 𝜎⁡(𝑒+⁢𝑒−→𝐽/𝜓⁢Λ/ $\overline{Λ}$ +anything)=(90±14±6) fb for the continuum production at √𝑠 =10.52 GeV. In all cases, the first uncertainties are statistical and the second are systematic.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Elastic scattering in the 12 N + 197 Au system at 𝐸 lab = 70 MeV

Halo structure is an interesting exotic configuration developed in some light weakly bound nuclei, where a valence particle orbits a nuclear core. Signatures of halo structure can be observed in the angular distributions of the elastic scattering induced by these nuclei at energies around the Coulomb barrier. There are some well-studied reactions with neutron-rich halo nuclei, such as 6 He and 11 Li . However, the information is scarce on the proton-rich side. Recent works confirm the halo structure in the 8B nuclei but still lack more experimental studies for other proton-halo candidates, such as 12 N and 17 F. In this work, we report experimental data for the elastic scattering of 12 N on 197 Au target at 𝐸 lab = 70 MeV. The 12 N is a proton-rich nucleus with proton separation energy 𝑆 𝑝 = 600 keV, which is higher than the 8 B (𝑆 𝑝 = 137 keV) and almost the same as the 17 F (𝑆 𝑝 = 601 keV). Data were obtained at the Cyclotron Institute of Texas A&M University where the 12 N radioactive beam was produced by the momentum achromatic recoil spectrometer. The calculation of the optical model was used to fit the measured angular distribution for the elastic scattering and to obtain the reaction cross section 𝜎 𝑅 . We also performed continuum discretized coupled-channel calculations to compare with the experimental data. The angular distribution of the elastic cross sections exhibits a suppression of the Fresnel peak. From the fitting of the optical model, we obtain the total reaction cross section, 𝜎 𝑅 = 1269 ± 41 mb. The agreement between the CDCC calculation and the experimental elastic scattering data is limited and the breakdown does not exhaust the measured 𝜎 𝑅 . The resulting reduced reaction cross section 𝜎 Red for 12 N + 197 Au is large and comparable to the one obtained for the 8 B + 208 Pb system. This suggests a strong decoupling of the valence proton from the core because of the low binding energy and a dynamic polarization effect. Here, more research is required to estimate the contribution of core excitation.

Elastic scattering reactions↗