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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Exact isovector pairing in a shell-model framework: Role of proton-neutron correlations in isobaric analog states

Here, we utilize a nuclear shell model Hamiltonian with only two adjustable parameters to generate, for the first time, exact solutions for pairing correlations for light to medium-mass nuclei, including the challenging proton-neutron pairs, while also identifying the primary physics involved. In addition to single-particle energy and Coulomb potential terms, the shell model Hamiltonian consists of an isovector T = 1 pairing interaction and an average proton-neutron isoscalar T = 0 interaction, where the T = 0 term describes the average interaction between nonpaired protons and neutrons. This Hamiltonian is exactly solvable, where, utilizing three to seven single-particle energy levels, we reproduce experimental data for 0 + state energies for isotopes with mass A = 10 through A = 62 exceptionally well including isotopes from He to Ge. Additionally, we isolate effects due to like-particle and proton-neutron pairing, provide estimates for the total and proton-neutron pairing gaps, and reproduce N (neutron) = Z (proton) irregularity. These results provide a further understanding for the key role of proton-neutron pairing correlations in nuclei, which is especially important for waiting-point nuclei on the $\mathcal{rp}$ path of nucleosynthesis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Shell-model calculations for two-neutron transfer near the $N=20$ island of inversion

We describe connections between shell-model calculation results and predictions for two-nucleon transfer reactions. Measurements of the 30 Mg(t,p) 32 Mg reaction were used to identify a low-lying shape-coexisting 0 + state in 32 Mg. Interpretations of those early, limited data were based on simple empirical models. The cross sections for two-nucleon transfer are, however, extremely sensitive to the details of the nuclear-structure. Motivated by the possibility of new high-resolution two-nucleon transfer measurements around the N = 20 Island of Inversion, we have performed shell-model calculations wave functions for states in the nuclei 30,32 Mg using the SDPF-M and SDPF-MU interactions, and from those calculations obtain the two-nucleon transfer amplitudes that we use to predict cross sections for the 28,30 Mg(t,p) 30,32 Mg reactions. The combined results show how the nuclear structure properties influence experimental observables for the (t,p) reaction. We compare our results with the existing data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Nucleon pair shell model in $\textit{M}$ scheme

The nucleon pair shell model (NPSM) is cast into the so-called $\textit{M}$ scheme for the cases with isospin symmetry and without isospin symmetry. The odd system and even system are treated on the same footing. The uncoupled commutators for nucleon pairs, which are suitable for the $\textit{M}$ scheme, are given. Explicit formula of matrix elements in $\textit{M}$ scheme for overlap, one-body operators, and two-body operators are obtained. In this work, it is found that the CPU time used in calculating the matrix elements in $\textit{M}$ scheme is much shorter than that in the $\textit{J}$ scheme of NPSM.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Exploring isospin symmetry breaking in exotic nuclei: High-precision mass measurement of 23 Si and shell-model calculations of 𝑇 = 5/2 nuclei

Here, we present a high-precision mass measurement of the proton-rich nucleus 23 Si, performed with the LEBIT Penning trap at the Facility for Rare Isotope Beams (FRIB) utilizing the time-of-flight ion cyclotron resonance (TOF-ICR) technique. We determined a mass excess of 23362.9(5.8) keV, which agrees with a recent storage-ring measurement from the experimental Cooler-Storage Ring (CSRe) in Lanzhou but has a factor of 20 improved precision 23 Si is hence the nucleus with the most precisely known mass among all nuclei with an isospin projection of 𝑇 𝑧 = −5/2. We performed shell-model calculations with the USDC and USDCm Hamiltonians to study binding energy differences and Thomas-Ehrmann shifts in mirror systems with an isospin up to 𝑇 = 5/2. Our experimental result and other recently reported masses of neutron-deficient sd-shell nuclei agree well with the theoretical predictions, demonstrating that isospin symmetry breaking in sd-shell nuclei—even at high isospin values—is well described by modern shell-model calculations.

20 ≤ A ≤ 38↗
DOE OSTI2023

Testing shell-model interactions at high excitation energy and low spin: Nuclear resonance fluorescence in Ge 74

With their complex low-spin structure, the germanium isotopes have accrued a large number of experimental data which challenge nuclear models. The structure of the 74 Ge isotope is investigated here with nuclear resonance fluorescence as part of an extensive campaign of experimental tests of the shell model in the germanium isotopic chain using a number of complementary techniques. Levels were excited with 3.10 – 5.44 MeV photon beams provided by the High Intensity Gamma-Ray Source at TUNL. Many new levels were identified and their spins, parities, branching ratios, and associated scattering cross section values were determined. Large-scale shell-model calculations, which include jj44b and JUN45 effective interactions developed to describe nuclei in this mass region, predict the new data satisfactorily. Herein this study extends the validation of these two interactions, which are candidates for computation of matrix elements to be used in the interpretation of neutrinoless double-β decay experiments in 76 Ge, into the low-spin, high excitation energy domain.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Ab initio leading order effective potential for elastic proton scattering based on the symmetry-adapted no-core shell model

Calculating microscopic optical potentials for elastic scattering at intermediate energies from light nuclei in an ab initio fashion within the Watson expansion has been established within the last few years. Based on the Watson expansion of the multiple scattering series, we employ a nonlocal translationally invariant nuclear density derived within the symmetry-adapted no-core shell model (SA-NCSM) framework from a chiral next-to-next-to-leading order (NNLO) nucleon-nucleon interaction and the very same interaction for a consistent full-folding calculation of the effective (optical) potential for nucleon-nucleus scattering for medium-heavy nuclei. The leading order effective (optical) folding potential is computed by integrating over a translationally invariant SA-NCSM one-body scalar density, spin-projected momentum distribution, and the Wolfenstein amplitudes 𝐴, 𝐶, and 𝑀. The resulting nonlocal potentials serve as input for a momentum space Lippmann-Schwinger equation. In the SA-NCSM, the model space is systematically up-selected using Sp⁡(3,ℝ) symmetry considerations. For the light nucleus of 6 He, we establish a systematic selection scheme in the SA-NCSM for scattering observables. Then, we apply this scheme to calculations of scattering observables, such as differential cross sections, analyzing powers, and spin rotation functions for elastic proton scattering from 20 Ne and 40 Ca in the energy regime between 65 and 200 MeV, and compare to available data. Furthermore, our calculations show that the leading order effective nucleon-nucleus potential in the Watson expansion of multiple scattering theory obtained from an up-selected SA-NCSM model space describes 40 Ca elastic scattering observables reasonably well to about 60 degrees in the center-of-mass frame, which coincides roughly with the validity of the NNLO chiral interaction used to calculate both the nucleon-nucleon amplitudes and the one-body scalar and spin nuclear densities.

Ab initio calculations↗
DOE OSTI2020

Shell-model studies of the astrophysical r p -process reactions S 34 ( p , γ ) Cl 35 and Cl 34 g , m ( p , γ ) Ar 35

Background: Dust grains condensed in the outflows of presolar classical novae should have been present in the protosolar nebula. Candidates for such presolar nova grains have been found in primitive meteorites and can in principle be identified by their isotopic ratios, but the ratios predicted by state-of-the-art one-dimensional hydrodynamic models are uncertain due to nuclear-physics uncertainties. Purpose: To theoretically calculate the thermonuclear rates and uncertainties of the S 34 ( p , γ ) Cl 35 and Cl 34 g , m ( p , γ ) Ar 35 reactions and investigate their impacts on the predicted 34 S/ 32 S isotopic ratio for presolar nova grains. Method: A shell-model approach in a (0 +1 ) ℏ ω model space was used to calculate the properties of resonances in the 34 S(p ,γ ) 35 Cl and 34 g,m Cl (p ,γ ) 35 Ar reactions and their thermonuclear rates. Uncertainties were estimated using a Monte Carlo method. The implications of these rates and their uncertainties on sulfur isotopic nova yields were investigated using a postprocessing nucleosynthesis code. The rates for transitions from the ground state of 34 Cl as well as from the isomeric first excited state of 34 Cl were explicitly calculated. Results: At energies in the resonance region near the proton-emission threshold, many negative-parity states appear. Energies, spectroscopic factors, and proton-decay widths are reported. The resulting thermonuclear rates are compared with previous determinations. Conclusions: The shell-model calculations alone are sufficient to constrain the variation of the 34 S/ 32 S ratios to within about 30%. Uncertainties associated with other reactions must also be considered, but in general we find that the 34 S/ 32 S ratios are not a robust diagnostic to clearly identify presolar grains made from nova ejecta.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

E 2 collectivity in shell-model calculations for odd-mass nuclei near 132 Sn

Shell-model calculations for 127,129In and 129,131Sb are presented, and interpreted in the context of the particle-core coupling scheme, wherein proton g9/2 holes or g7/2 particles are added to semimagic 128,130Sn cores. These results indicate that the particle-core coupling scheme is appropriate for the Sb isotopes, whilst less so for the In isotopes. B(E2) excitation strengths are also calculated, and show evidence of enhanced collectivity in both Sb isotopes, especially 131Sb. This observation suggests that 131Sb would be an excellent case for an experimental study seeking to investigate the early onset of collectivity near 132Sn.

Gray, Tim↗
DOE OSTI2020

SD-pair shell model: Vibrational and rotational limits in the interacting boson–fermion model for like-nucleon system

Typical features of the Bose–Fermi symmetries associated with [Formula: see text] and [Formula: see text] limits in the interacting boson model are described in the SD-pair shell model (SDPSM) framework for like-nucleon system. It is found that the limiting spectra associated with [Formula: see text] (vibrational) and [Formula: see text] (rotational) in the interacting boson–fermion model can be well reproduced in the SDPSM framework. It is shown that coupling of collective degree of freedom with the single-particle degree of freedom in the pairing interaction almost has no effect on the spectrum of odd-A system comparing to the adjacent even–even system, while the coupling of the collective degree of freedom with the single-particle degree of freedom in the quadrupole–quadrupole interaction results in the level splitting of several excited levels.

Physics↗
DOE OSTI2023

Proton-neutron entanglement in the nuclear shell model

Abstract We compute the proton-neutron entanglement entropy in the interacting nuclear shell model for a variety of nuclides and interactions. Some results make intuitive sense, for example, that the shell structure, as governed by single-particle and monopole energies, strongly affects the energetically available space and thus the entanglement entropy. We also find a surprising result: that the entanglement entropy at low excitation energy tends to decrease for nuclides when N ≠ Z . While we provide evidence this arises from the physical nuclear force by contrasting with random two-body interactions which shows no such decrease, the exact mechanism is unclear. Nonetheless, the low entanglement suggests that in models of neutron-rich nuclides, the coupling between protons and neutrons may be less computationally demanding than one might otherwise expect.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

SS-HORSE extension of the no-core shell model: Application to resonances in He 7

Theoretical ab initio studies of resonances in the unbound 7 He nucleus are presented. We perform no-core shell-model calculations with NN interactions Daejeon16 and JISP16 and utilize the SS-HORSE method to calculate the S matrix for two-body channels n + 6 He and n + 6 He* with 6He respectively in the ground and excited 2 + states as well as for the four-body democratic decay channel 4 He + n + n + n. The resonant energies and widths are obtained by numerical location of the S-matrix poles. Here, we describe all experimentally known 7 He resonances and suggest an interpretation of an observed wide resonance of unknown spin-parity.

6 ≤ A ≤ 19↗
DOE OSTI2025

A critical verification of beam and shell models of wind turbine blades

Ever-increasing wind turbine size has challenged predictive capabilities on several fronts. Here, to address part of the blade structural modeling uncertainty, a systematic model fidelity comparison study was conducted on commonly used finite elements. pyNuMAD was utilized to create beam, shell, and solid models of a 100 m long blade undergoing large static deflections. The solid model avoided the use of layered-solid elements by resolving core and facesheet layers. An unprecedented model with 73.7 million elements revealed insights that have never been possible from prior experimental and numerical studies. As compared to the solid element model, the tip deflection from the shell and beam model was found to be about 2% and 4.3% too low, respectively. The twist from the beam model was found to be about 5.6% too high, while the twist from shell model was 24% too low, though improvement was demonstrated with mesh refinement. The beam model adhesive stresses were more accurate than the shell model. Out-of-plane stresses were of great significance near geometric and material discontinuities, and neither the shell nor beam model captured these effects well. Failure predictions from beam, shell, or layered-solid models are unlikely to be reliable at trailing edges, adhesives, ply-drops, spar-cap boundaries.

17 WIND ENERGY↗
DOE OSTI2023

Lifetime measurements in 206 Po with a shell-model interpretation

The lifetimes of the first excited 2⁺ and 4⁺ states in 206 Po were measured using the recoil-distance Dopplershift method. The experimental results were compared to large-scale shell-model calculations that describe the deduced transition probabilities well. Those calculations were extended to the neighboring 204,208 Po isotopes giving a good overall description of the yrast states. However, the calculations underpredict the energies of the 6+1 and 8+1 states, which suggests that further improvement of the proton-neutron interaction is required.

190 ≤ A ≤ 219↗
DOE OSTI2021

Ground-state properties of light 4 n self-conjugate nuclei in ab initio no-core Monte Carlo shell model calculations with nonlocal N N interactions

We report J π = 0 + ground-state energies and point-proton radii of 4 He, 8 Be, 12 C, 16 O, and 20 Ne nuclei calculated by the ab initio no-core Monte Carlo shell model with the JISP16 and Daejeon16 nonlocal NN interactions. Ground-state energies are obtained in the basis spaces up to seven oscillator shells (N shell =7) with several oscillator energies (ℏω) around the optimal oscillator energy for the convergence of ground-state energies. These energy eigenvalues are extrapolated to obtain estimates of converged ground-state energies in each basis space using energy variances of computed energy eigenvalues. We further extrapolate these energy-variance-extrapolated energies obtained in the finite basis spaces to infinite basis-space results with an empirical exponential form. This form features a dependence on the basis-space size but is independent of the value of ℏω used for the harmonic-oscillator basis functions. Point-proton radii for these states of atomic nuclei are also calculated following techniques employed for the energies. From these results, it is found that the Daejeon16 NN interaction provides good agreement with experimental data up to approximately 16 O, while the JISP16 NN interaction provides good agreement with experimental data up to approximately 12 C. Beyond these nuclei, the interactions produce overbinding accompanied by radii that are too small. These findings suggest and encourage further revisions of nonlocal NN interactions towards the investigation of nuclear structure in heavier-mass regions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model

In this work, we describe the development and implementation of a quasi-equilibrium hydration shell model of biomolecular solvation with adaptive boundaries. Applying the model to microsecond-long molecular dynamics simulations of several protein systems of varying complexity, we find that the model simulation results are of comparable quality to those obtained from simulations of fully solvated systems, but at a reduced computational cost. We discuss the dominant sources of error in the model and outline directions for future improvements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

No-core shell model calculations of the photonuclear cross section of 10B

Results of ab initio no-core, shell model calculations for the photonuclear cross section of 10B are presented using realistic two-nucleon (NN) chiral forces up to next-to-next-to-next-order (N3LO) softened by the similarity renormalization group method (SRG) with λ=2.02 fm -1 . The electric-dipole response function is calculated using the Lanczos method, with the effects of the continuum included via neutron escape widths derived from R-matrix theory and using the Lorentz integral transform method. The calculated cross section agrees well with experimental data in terms of structure as well as in absolute peak height, σ max =4.85 mb at photon energy ω=23.61 MeV, and integrated cross section 85.36 MeV. mb. We also test the Brink hypothesis by calculating the electric-dipole response for the first nine positive-parity states with J≠0 in 10 B and verify that dipole excitations built upon the ground and excited states have similar characteristics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

New insights into backbending in the symmetry-adapted shell-model framework

Here we provide insights into the backbending phenomenon within the symmetry-adapted framework which naturally describes the intrinsic deformation of atomic nuclei. For 20 Ne, the canonical example of backbending in light nuclei, the ab initio symmetry-adapted no-core shell model shows that while the energy spectrum replicates the backbending from experimental energies under the rotor-model assumption, there is no change in the intrinsic deformation or intrinsic spin of the yrast band around the backbend. For the traditional example of 48 Cr, computed in the valence shell with empirical interactions, we confirm a high-spin nucleus that is effectively near-spherical, in agreement with previous models. However, we find that this spherical distribution results, on average, from an almost equal mixing of deformed prolate shapes with deformed oblate shapes. Microscopic calculations confirm the importance of spin alignment and configuration mixing, but surprisingly unveil no anomalous increase in moment of inertia. Furthermore, this finding opens the path toward further understanding the rotational behavior and moment of inertia of medium-mass nuclei.

20 ≤ A ≤ 38↗