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DOE OSTI2020

Materials Data on Hf2BiB by Materials Project

HfBHfBi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of one HfB framework and one HfBi framework. In the HfB framework, Hf is bonded to four equivalent B atoms to form distorted corner-sharing HfB4 tetrahedra. All Hf–B bond lengths are 2.97 Å. B is bonded to four equivalent Hf atoms to form distorted corner-sharing BHf4 tetrahedra. In the HfBi framework, Hf is bonded to four equivalent Bi atoms to form distorted corner-sharing HfBi4 tetrahedra. All Hf–Bi bond lengths are 2.97 Å. Bi is bonded to four equivalent Hf atoms to form distorted corner-sharing BiHf4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Preliminary design of control rods in the single-fluid double-zone thorium molten salt reactor (SD-TMSR)

Recent studies on Molten Salt Reactors (MSRs) showed that the excess reactivity at the beginning of the operation is large for many fueling strategies and must be compensated by a reactivity control system. The current work introduces a reliable safety system based on control rods in addition to the online feed system reactivity control in the Single-fluid Double-zone Thorium-based Molten Salt Reactor (SD-TMSR). Three different initial fissile loadings are considered: 233 U, reactor-grade Pu, and transuranic (TRU) elements as a startup fuel. We applied six different absorbing materials to investigate the main operational and safety parameters in the SD-TMSR: natural B 4 C, enriched B 4 C with 90% 10 B, HfB 2 , HfH 1.62 , Eu 2 O 3 , and Gd 2 O 3 . The present work focuses on control rod design, integral and differential control rod worth, shutdown margin, and shadowing effects at steady-state. We employed the SERPENT-2 Monte-Carlo code to calculate the reactivity worth and analyze the performance of the reactivity control system. We showed that 233 U and reactor-grade Pu startup cores maintain adequate shutdown margin with all considered absorbers. Finally, this report proposes a design of control rod clusters that compensate the excess reactivity of the SD-TMSR loaded with different initial fissile material.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Nuclear charge radii of germanium isotopes around N = 40

Collinear laser spectroscopy measurements were performed on 68−74 Ge isotopes (Z=32) at ISOLDE-CERN, by probing the 4s 2 4p 2 3 P 1 → 4s 2 4p5s 3 P$^{o}_{1}$ atomic transition (269~nm) of germanium. Nuclear charge radii are determined via the measured isotope shifts, revealing a larger local variation than the neighboring isotopic chains. Nuclear density functional theory with the Fayans functionals Fy(Δr,HFB) and Fy(IVP), and the SV-min Skyrme describes the experimental data for the differential charge radii δ⟨r 2 ⟩ and charge radii R c within the theoretical uncertainties. The observed large variation in the charge radii of germanium isotopes is better accounted for by theoretical models incorporating ground state quadrupole correlations. This suggests that the polarization effects due to pairing and deformation contribute to the observed large odd-even staggering in the charge radii of the Ge isotopic chain.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Predicting nucleon-nucleus scattering observables using nuclear structure theory

Developing a predictive capability for inelastic scattering will find applications in multiple areas. Experimental data for neutron-nucleus inelastic scattering is limited and thus one needs a robust theoretical framework to complement it. Charged-particle inelastic scattering can be used as a surrogate for ( n, γ ) reactions to predict capture cross sections for unstable nuclei. Our work uses microscopic nuclear structure calculations for spherical nuclei to obtain nucleon-nucleus scattering potentials and calculate cross sections for these processes. We implement the Jeukenne, Lejeune, Mahaux (JLM) semi-microscopic folding approach, where the medium effects on nuclear interaction are parameterized in nuclear matter to obtain the nucleon-nucleon ( NN ) interaction in a medium at positive energies. We solve for the nuclear ground state using the Hartree-Fock-Bogliubov (HFB) many-body method, assuming the nucleons within the nucleus interact via the Gogny-D1M potential. The vibrational excited states of the target nucleus are calculated using the quasi-particle random phase approximation (QRPA). We demonstrate our approach for spherical nuclei in the medium-mass region, showing scattering results for the 90 Zr nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Electric dipole excitations near the neutron separation energies in 96 Mo

Electric dipole strength near the neutron separation energy significantly impacts nuclear structure properties and astrophysical scenarios. These excitations are complex in nature and may involve the so-called pygmy dipole resonance (PDR). Transition densities play a crucial role in understanding the nature of nuclear excited states, including collective excitations, as well as in constructing transition potentials in DWBA or coupled-channels equations. In this work, we focus on electric dipole excitations in spherical molybdenum isotopes, particularly 96 Mo, employing fully consistent Hartree-Fock-Bogoliubov (HFB) and Quasiparticle Random Phase Approximation (QRPA) methods. We analyze the dipole strength near the neutron separation energy, which represents the threshold for neutron capture processes, and examine the isospin characteristics of PDR states through transition density calculations. Examination of proton and neutron transition densities reveals distinctive features of each dipole state, indicating their isoscalar and isovector nature. We observe that the primary component in the enhanced low-energy region exhibits isovector character. The PDR displays a mixture of isoscalar and isovector nature, distinguishing it from the isovector giant dipole resonance (IVGDR). These findings lay the groundwork for future investigations into the role of transition densities in reaction models and for their application to inelastic scattering calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Discovery of new isotopes in the fragmentation of 82 Se and insights into their production

The production cross sections of neutron-rich nuclei for elements just above 60 Ca were measured at the Facility for Rare Isotope Beams (FRIB). Four previously unobserved isotopes ( 63 Sc, 65,66 Ti, and 68 V) were produced, separated, and identified for the first time using the Advanced Rare Isotope Separator (ARIS). One event was found to be consistent with 61 Ca . The new isotopes were created through the interaction of an 82 Se beam with a carbon target at an energy of 228 MeV/𝑢 and a primary beam current of 1.07 p⁢µ⁢A. The event-by-event particle identification of the mass number (𝐴), atomic number (𝑍), and ionic charge state (𝑞) for the reaction products was achieved by combining measurements of energy loss, time of flight, magnetic rigidity, and total kinetic energy. This successful search for new isotopes, conducted at the beginning of FRIB's third year of operation, highlights the facility's discovery potential, which will continue to grow as the beam current increases. The production cross sections were analyzed in the context of the newly developed Δ⁢𝐵⁢𝐸 systematics that provides trends in neutron-rich regions and increased sensitivity to nuclear binding, an important nuclear structure observable. Furthermore, the new systematics addresses gaps in 𝑄 𝑔 -based methods commonly used to interpret the production cross sections of light neutron-rich elements, and provides an efficient empirical approach to describe cross-section trends across isotopic chains. Good agreement with the measured data was obtained when the Δ⁢𝐵⁢𝐸 systematics and abrasion-ablation calculations were performed using the Hartree-Fock-Bogoliubov (HFB-22) mass table.

59 ≤ A ≤ 89↗

DOE OSTI2021

State densities of heavy nuclei in the static-path plus random-phase approximation

We report that nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and must be augmented with empirical collective enhancement factors. Here, we benchmark the static-path plus random-phase approximation (SPA + RPA) to the state density in a chain of samarium isotopes 148–155 Sm against exact results (up to statistical errors) obtained with the shell-model Monte Carlo (SMMC) method. The SPA + RPA method incorporates all static fluctuations beyond the mean field together with small-amplitude quantal fluctuations around each static fluctuation. Using a pairing plus quadrupole interaction, we show that the SPA + RPA state densities agree well with the exact SMMC densities for both the even- and odd-mass isotopes. For the even-mass isotopes, we also compare our results with mean-field state densities calculated with the finite-temperature Hartree-Fock-Bogoliubov (HFB) approximation. We find that the SPA + RPA repairs the deficiencies of the mean-field approximation associated with broken rotational symmetry in deformed nuclei and with the violation of particle-number conservation in the pairing condensate. In particular, in deformed nuclei the SPA + RPA reproduces the rotational enhancement of the state density relative to the mean-field state density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Melting point of group IV and V transition metal diborides

The environmental conical nozzle levitator system enables cooling trace experiments above 4000 K. These cooling trace experiments were used to determine the melting points through observation of thermal arrest of group IV and V transition metal diborides (TiB 2 , T m = 3313 ± 33 K; ZrB 2 , T m = 3404 ± 38 K; HfB 2 , T m = 3529 ± 33 K; and TaB 2 , T m = 3284 ± 10 K; note: mean ± 2 standard error). Temperature measurements were conducted utilizing dual single-color pyrometers at wavelengths of 0.9 and 0.65 µm. This system utilizes aerodynamic levitation and dual laser heating to achieve temperatures approaching 4000 K. The samples were synthesized from commercial powders using ceramic gel-casting to produce high-density spherical components. The measurements obtained were compared to previously reported melting temperature values and were generally found to be in agreement with most of the published values.

Materials science↗