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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Natural orbitals for the ab initio no-core configuration interaction approach

Ab initio no-core configuration interaction (NCCI) calculations for the nuclear many-body problem have traditionally relied upon an antisymmetrized product (Slater determinant) basis built from harmonic oscillator orbitals. The accuracy of such calculations is limited by the finite dimensions which are computationally feasible for the truncated many-body space. We therefore seek to improve the accuracy obtained for a given basis size by optimizing the choice of single-particle orbitals. Natural orbitals, which diagonalize the one-body density matrix, provide a basis which maximizes the occupation of low-lying orbitals, thus accelerating convergence in a configuration-interaction basis, while also possibly providing physical insight into the single-particle structure of the many-body wave function. We describe the implementation of natural orbitals in the NCCI framework and examine the nature of the natural orbitals thus obtained, the properties of the resulting many-body wave functions, and the convergence of observables. After taking 3 He as an illustrative testbed, we explore aspects of NCCI calculations with natural orbitals for the ground state of the p-shell neutron halo nucleus 6 He .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Density matrix renormalization group description of the island of inversion isotopes F 28 – 33

Recent experiments have confirmed that the neutron-rich isotopes 28,29 F belong to the so-called island of inversion (IOI), a region of the nuclear chart around Z = 10 and N = 20 where nuclear structure deviates from the standard shell model predictions due to deformation and continuum effects. However, while the general principles leading to the IOI are relatively well understood, the details of the low-lying structure of the exotic fluorine isotopes 28–33 F are basically unknown. In this study, we perform large-scale shell model calculations including continuum states to investigate the properties of the neutron-rich isotopes 25–33 F, from a core of 24 O and using an effective two-body interaction with a small number of adjustable parameters in the central and tensor channels. We develop two models adjusted on experimentally confirmed states in 25,26 O and 25–27 F based on different assumptions concerning the positions of the neutron 0d 3/2 and 1p 3/2 shells, and solve the many-body problem using the density matrix renormalization group (DMRG) method for open quantum systems in an sd–fp model space. We obtain the first detailed spectroscopy of 25–33F in the continuum and show how the interplay between continuum effects and deformation explains the recent data on 28,29 F. Several deformed one- and two-neutron halo states are predicted in 29,31 F, and we provide some information about the possible structure of the heaviest fluorine isotopes. We also suggest several experimental studies of interest to constraint models and test the present predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Coulomb excitation of 102 Ru with 12 C and 16 O

Here, the Coulomb excitation of 102 Ru was performed with beams of 12 C and 16 O ions. The beam particles scattered at forward angles were momentum analyzed with a magnetic spectrograph. The resolution achieved enabled the populations of the $2^{+}_{1}$ state, the unresolved $2^{+}_{2}$/ $4^{+}_{1}$, and $2^{+}_{4}$/$3^{-}_{1}$, doublets of states, and the $3^{-}_{2}$ state to be determined as a function of the scattering angle. These populations are compared with gosia calculations, yielding B(E2; $2^{+}_{1}$→$0^{+}_{1}$) = 41.5 ± 2.3 W.u., B(E2; $2^{+}_{2}$→$0^{+}_{1}$) = 1.75 ± 0.11 W.u., B(E3; $3^{-}_{1}$→$0^{+}_{1}$) = 31.5 ± 3.5 W.u., and B(E3; $3^{-}_{2}$→$0^{+}_{1}$) = 6.8 ± 0.5 W.u. The B(E3; $3^{-}_{1}$→$0^{+}_{1}$) value is significantly larger than previously measured. The weakly populated $2^{+}_{3}$ state, presumed to be a member of the band built on the $0^{+}_{2}$ state, was observed clearly for a single angle only, and a fit to its population results in B(E2; $2^{+}_{3}$→$0^{+}_{1}$) = 0.053 ± 0.011 W.u. Using the known γ -ray branching ratios for the $2^{+}_{3}$ level, the B(E2; $2^{+}_{3}$→$0^{+}_{2}$) value is calculated to be 18 ± 4 W.u., substantially less than the B(E2; $2^{+}_{1}$→$0^{+}_{1}$) . This suggests that the deformation of the $0^{+}_{2}$ state is lower than that of the $0^{+}_{1}$ state. The results are compared with beyond-mean-field calculations with the Gogny-D1S interaction using the symmetry-conserving configuration-mixing method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Uncertainty quantification for neutrino opacities in core-collapse supernovae and neutron star mergers

We perform an extensive study of the correlations between the neutrino-nucleon inverse mean free paths (IMFPs) and the underlying equation of states (EoSs). Strong interaction uncertainties in the neutrino mean free path are investigated in different density regimes. The nucleon effective mass, the nucleon chemical potentials, and the residual interactions in the medium play an important role in determining neutrino-nucleon interactions in a density-dependent manner. Here we study how the above quantities are constrained by an EoS consistent with (i) nuclear mass measurements, (ii) proton-proton scattering phase shifts, and (iii) neutron star observations. We then study the uncertainties of both the charged current and the neutral current neutrino-nucleon inverse mean free paths due to the variation of these quantities, using the Hartree-Fock+random phase approximation method. Finally, we calculate the Pearson correlation coefficients between (i) the EoS-based quantities and the EoS-based quantities; (ii) the EoS-based quantities and the IMFPs; (iii) the IMFPs and the IMFPs. We find a strong impact of residual interactions on neutrino opacity in the spin and spin-isospin channels, which are not well constrained by current nuclear modelings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Optimization of the generator coordinate method with machine-learning techniques for nuclear spectra and neutrinoless double- β decay: Ridge regression for nuclei with axial deformation

The generator coordinate method (GCM) is an important tool of choice for modeling large-amplitude collective motion in atomic nuclei. The computational complexity of the GCM increases rapidly with the number of collective coordinates. It imposes a strong restriction on the applicability of the method. In this work, we propose a subspace-reduction algorithm that employs optimal statistical ML models as surrogates for exact quantum-number projection calculations for norm and Hamiltonian kernels. The model space of the original GCM is reduced to a subspace relevant for nuclear low energy spectra and the NME of ground state to ground state 0νββ decay based on the orthogonality condition (OC) and the energy-transition-orthogonality procedure (ENTROP), respectively. For simplicity, the polynomial ridge regression (RR) algorithm is used to learn the norm and Hamiltonian kernels of axially deformed configurations. The efficiency and accuracy of this algorithm are illustrated for 76 Ge and 76 Se by comparing results obtained using the optimal RR models to direct GCM calculations. The low-lying energy spectra of 76 Ge and 76 Se, as well as the 0νββ-decay NME between their ground states, are computed. Furthermore, the results show that the performance of the GCM+OC/ENTROP+RR is more robust than that of the GCM+RR alone, and the former can reproduce the results of the original GCM calculation accurately with a significantly reduced computational cost.

59 ≤ A ≤ 89↗
DOE OSTI2023

Semimicroscopic description of isoscalar giant multipole resonances in medium-mass closed-shell nuclei

Main properties of isoscalar giant multipole resonances (up to L=3), including L=0,and 2 overtones, in medium-mass closed-shell nuclei are described within the semimicroscopic particle-hole dispersive optical model. Further, main properties are characterized by the energy-averaged strength distribution, projected (one-body) transition density, and probabilities of direct one-nucleon decay. Calculation results obtained for characteristics of the mentioned resonances in the 48 Ca, 90 Zr, and 132 Sn nuclei are compared with available experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Revealing the strength of three-nucleon interactions with the proposed Einstein Telescope

Nuclear systems, ranging from atomic nuclei to dense matter probed in neutron stars, are governed by strong interactions. Three-nucleon forces have been found to be a crucial ingredient for the reliable description of these systems. Here, in this work, we explore how astrophysical data on neutron stars and their mergers from current and next-generation observatories will enable us to distinguish nuclear Hamiltonians. In particular, we investigate two different nuclear Hamiltonians that have been adjusted to reproduce two-nucleon scattering data and properties of light nuclei, but differ in the three-nucleon interactions among neutrons. We find that no significant constraints can be obtained from current data, but that the proposed Einstein Telescope could provide strong evidence to distinguish among these Hamiltonians.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Ab initio single-neutron spectroscopic overlaps in lithium isotopes

We calculate single-neutron spectroscopic overlaps for lithium isotopes in the framework of the ab initio symmetry-adapted no-core shell model. We report the associated neutron-nucleus asymptotic normalization coefficients (ANCs) and spectroscopic factors (SFs) that are important ingredients in many reaction cross-section calculations. While spectroscopic factors have been traditionally extracted from experimental cross sections, their sensitivity on the type of reactions, the energy, and the underlying models point to the need for determining SFs from first-principle structure considerations. As illustrative examples, we present 6 Li + n, 7 Li ⁢+ n, and 8 Li ⁢+ n, and we show that the results are in a good agreement with those of other ab initio methods, where available, including the quantum Monte Carlo approach. Here, we compare ANCs and SFs to available experimentally deduced values, with a view toward expanding this study to heavier nuclei and to extracting intercluster effective interactions for input into analyses of existing and future experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Entanglement entropy of nuclear systems

We study entanglement entropies between the single-particle states of the hole space and its complement in nuclear systems. Analytical results based on the coupled-cluster method show that entanglement entropies are proportional to the particle number fluctuation and the depletion number of the hole space for sufficiently weak interactions. General arguments also suggest that the entanglement entropy in nuclear systems fulfills a volume instead of an area law. Here, we test and confirm these results by computing entanglement entropies of the pairing model and neutron matter, and the depletion number of finite nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Quantum simulations of SO(5) many-fermion systems using qudits

The structure and dynamics of many-body systems are the result of a delicate interplay between underlying interactions. Fermionic pairing, for example, plays a central role in various physical systems, ranging from condensed matter to nuclear systems, where it can lead to collective phenomena such as superconductivity and superfluidity. In atomic nuclei, the interplay between pairing and particle-hole interactions leads to a high degree of complexity and intricate entanglement structures. Despite this apparent complexity, symmetries emerge and manifest themselves in observable regular patterns. These symmetries and their breakings have long been used to determine relevant degrees of freedom and simplify classical descriptions of many-body systems. Here, this work explores the potential utility of quantum computers with arrays of qudits in simulating interacting fermionic systems, when the qudits can naturally map the relevant degrees of freedom determined by an underlying symmetry group. The Agassi model of fermions interacting via particle-hole and pairing interactions is based on an underlying so(5) algebra. Such systems can intuitively be partitioned into pairs of modes with five basis states, which thus naturally map to arrays of d = 5 qudits (qu5its). Classical noiseless simulations of the time evolution of systems with up to twelve qu5its are performed, by implementing quantum circuits that are developed herein, using PYTHON codes invoking Google's CIRQ software. The resource requirements of the qu5it circuits are analyzed and compared with two different mappings to qubit systems: a physics-aware Jordan-Wigner mapping requiring four qubits per mode pair and a state-to-state mapping requiring three qubits per mode pair. While the dimensionality of Hilbert spaces in mappings to qu5it systems are less than those for the corresponding qubit systems, the number of entangling operations, depending on the available hardware, can either be greater or smaller than for the physics-aware Jordan-Wigner mapping. The state-to-state mapping, while having a smaller Hilbert space than Jordan-Wigner mappings, appears to be the least efficient in gate counts. Further, a previously unknown sign problem has been identified from Trotterization errors in time evolving high-energy excitations. There appear to be advantages in employing quantum computers with arrays of qudits to perform simulations of many-body dynamics that exploit the role of underlying symmetries, specifically in lowering the required quantum resources and in reducing anticipated errors that take the simulation out of the physical space. If the necessary entangling gates are not directly supported by the hardware, physics-aware mappings to qubits may, however, be advantageous for other aspects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Projection algorithm for state preparation on quantum computers

We present an efficient method to prepare states of a many-body system on quantum hardware, first isolating individual quantum numbers and then using time evolution to isolate the energy. Our method in its simplest form requires only one additional auxiliary qubit. The total time evolved for an accurate solution is proportional to the ratio of the spectrum range of the trial state to the gap to the lowest excited state, a substantial improvement over other projection algorithms, and the accuracy increases exponentially with the time evolved. Isolating the quantum numbers is efficient because of the known eigenvalues and increases the gap thus shortening the propagation time required. The success rate of the algorithm, or the probability of producing the desired state, is a simple function of measurement times and phases and is dominated by the square overlap of the original state to the desired state. We present examples from the nuclear shell model and the Heisenberg model. In conclusion, we compare this algorithm to previous algorithms for short evolution times and discuss potential further improvements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Kinetic approach of light-nuclei production in intermediate-energy heavy-ion collisions

We develop a kinetic approach to the production of light nuclei up to mass number A ≤ 4 in intermediate-energy heavy-ion collisions by including them as dynamic degrees of freedom. The conversions between nucleons and light nuclei during the collisions are incorporated dynamically via the breakup of light nuclei by a nucleon and their reverse reactions. We also include the Mott effect on light nuclei; i.e., a light nucleus will no longer be bound if the phase-space density of its surrounding nucleons is too large. With this kinetic approach, we obtain a reasonable description of the measured yields of light nuclei in central Au+Au collisions at energies of 0.25⁢A GeV–1.0⁢A GeV by the FOPI Collaboration. Our study also indicates that the observed enhancement of the α-particle yield at low incident energies can be attributed to a weaker Mott effect on the α particle, which makes it more difficult to dissolve in nuclear medium, as a result of its much larger binding energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Extended Interacting Boson Model with Configuration Mixing Description For 98 Mo

An extended version of the interacting boson model (IBM), encompassing two-particle–two-hole (2p-2h) excitations originating from below a valence shell and one-particle–one-hole (1p-1h) excitations extending to the upper next-nearest major shell, is developed to investigate cross-shell excitation effects in the transitional nucleus 98 Mo. This extended IBM framework is utilized to reproduce experimentally observed properties such as low-lying positive-parity level energies, 𝐵⁡(𝐸⁢2) values, and the electric quadrupole moment of the 2$^{+}_{1}$ state, 𝜌 2 ⁡(𝐸⁢0, 0$^{+}_{2}$ → 0$^{+}_{g}$), as well as the strength functions of the isoscalar giant monopole resonance (ISGMR) and the isoscalar giant quadrupole resonance (ISGQR) in 98 Mo. It is shown that the extended consistent-𝑄 IBM, incorporating configuration mixing of both 2p-2h excitations from below the valence shell and 1p-1h excitations to the upper next-nearest major shell, describes the low-lying structural properties and the ISGMR and ISGQR strength distributions of 98 Mo quite well, with the ISGMR and the ISGQR strength distributions comparable to the results of the self-consistent quasiparticle random-phase approximation with Skyrme interactions.

90 ≤ A ≤ 149↗
DOE OSTI2024

Search for beyond-mean-field signatures in heavy-ion fusion reactions

Examination of high-resolution, experimental fusion excitation functions for 16,17,18 O + 12 C reveals a remarkable irregular behavior that is rooted in the structure of both the colliding nuclei and the quasi-molecular composite system. The impact of the l-dependent fusion barriers is assessed using a time-dependent Hartree-Fock model, viewed as a mean-field reference. Barrier penetrabilities, taken directly from a density-constrained calculation, provide a significantly improved description of the experimental data as compared to the standard Hill-Wheeler approach. Furthermore, the remaining deviations between the parameter-free theoretical mean-field predictions and experimental fusion cross sections are exposed and discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Magnetic dipole γ-ray strength functions in the crossover from spherical to deformed neodymium isotopes

We calculate the magnetic dipole $\gamma$-ray strength functions in a chain of even-mass neodymium isotopes $^{144-152}$Nd in the framework of the configuration-interaction (CI) shell model. We infer the strength function by applying the maximum entropy method (MEM) to the exact imaginary-time response function calculated with the shell-model Monte Carlo (SMMC) method. The success of the MEM depends on the choice of a good strength function as a prior distribution. We investigate two choices for the prior strength function: the static path approximation (SPA) and the quasiparticle random-phase approximation (QRPA). We find that the QRPA is a better approximation at low temperatures (i.e., near the ground state), while the SPA is a better choice at finite temperatures. We identify a low-energy enhancement (LEE) in the MEM deexcitation $M1$ strength functions of the even-mass neodymium isotopes and compare with recent experimental results for the total deexcitation $\gamma$-ray strength functions. The LEE is already seen in the SPA strength function but not in the QRPA strength function, indicating the importance of large-amplitude static fluctuations around the mean field in reproducing the LEE. Our method is currently the only one which can reproduce LEE in heavy open-shell nuclei where conventional CI shell model calculations are prohibited. With the onset of deformation as number of neutrons increases along the chain of neodymium isotopes, we observe that some of the LEE strength transfers to a low-energy excitation, which we interpret as a finite-temperature ``scissors'' mode. Here, we also observe a finite-temperature spin-flip mode.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Relativistic corrections to the correlated basis function effective nuclear Hamiltonian

We discuss the inclusion of relativistic boost corrections into the correlated basis function effective nuclear Hamiltonian, derived from a realistic model of two- and three-nucleon interactions using the formalism of correlated basis functions and the cluster expansion technique. Different procedures to take into account the effects of boost interactions are compared on the basis of the ability to reproduce the nuclear matter equation of state obtained from accurate quantum many-body calculations. Furthermore, the results of our study show that the repulsive contribution of the boost interaction significantly depends on the underlying model of the nonrelativistic potential. On the other hand, the dominant relativistic correction turns out to be the corresponding reduction of the strength of repulsive three-nucleon interactions, leading to a significant softening of the equation of state of nuclear matter at supranuclear densities.

Neutron stars & pulsars↗