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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Global optimization of harmonic oscillator basis in covariant density functional theory

The present investigation focuses on the improvement of the accuracy of the description of binding energies within moderately sized fermionic basis. Using the solutions corresponding to infinite fermionic basis it was shown that in the case of meson exchange (ME) covariant energy density functionals (CEDFs) the global accuracy of the description of binding energies in the finite $N_F$ = 16 - 20 bases can be drastically (by a factor ranging from ~3 up to ~9 dependent on the functional and $N_F$) improved by a global optimization of oscillator frequency of the basis. This is a consequence of the unique feature of the ME functionals in which with increasing fermionic basis size fermionic and mesonic energies approach the exact (infinite basis) solution from above and below, respectively. As a consequence, an optimal oscillator frequency $\hbar\omega_0$ of the basis can be defined which provides an accurate reproduction of exact total binding energies by the ones calculated in truncated basis. This leads to a very high accuracy of the calculations in moderately sized $N_F=20$ basis when mass dependent oscillator frequency is used: global rms differences $\delta B_{rms}$ between the binding energies calculated in infinite and truncated bases are only 0.025 MeV and 0.031 MeV for the NL5(Z) and DD-MEZ functionals, respectively. Optimized values of the oscillator frequency $\hbar\omega_0$ are provided for three major classes of CEDFs, i.e. for density dependent meson exchange functionals, nonlinear meson exchange ones and point coupling functionals.

Binding energy & masses↗
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 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

Precision cosmological constraints on atomic dark matter

Abstract Atomic dark matter is a simple but highly theoretically motivated possibility for an interacting dark sector that could constitute some or all of dark matter. We perform a comprehensive study of precision cosmological observables on minimal atomic dark matter, exploring for the first time the full parameter space of dark QED coupling and dark electron and proton masses (α D ,$$ {m}_{e_D} $$ m e D ,$$ {m}_{p_D} $$ m p D ) as well as the two cosmological parameters of aDM mass fractionf D and temperature ratioξat time of SM recombination. We also show how aDM can accommodate the (H 0 , S 8 ) tension from late-time measurements, leading to a better fit than ΛCDM or ΛCDM + dark radiation. Furthermore, including late-time measurements leads to closed contours of preferredξand dark hydrogen binding energy. The dark proton mass is seemingly unconstrained. Our results serve as an important new jumping-off point for future precision studies of atomic dark matter at non-linear and smaller scales.

Physics↗
NASA NTRS1990

Explosive nucleosynthesis in SN 1987A. II - Composition, radioactivities, and the neutron star mass

The 20 solar mass model of Nomoto and Hashimoto (1988) is utilized with a 6 solar mass. He core is used to perform explosive nucleosynthesis calculations. The employed explosion energy of 10 to the 51st ergs lies within the uncertainty range inferred from the bolometric light curve. The nucleosynthesis processes and their burning products are discussed in detail. The results are compared with abundances from IR observations of SN 1987A and the average nucleosynthesis expected for Type II supernovae in Galactic chemical evolution. The abundances of long-lived radioactive nuclei and their importance for the late light curve and gamma-ray observations are predicted. The position of the mass cut between the neutron star and the ejecta is deduced from the total amount of ejected Ni-56. This requires a neutron star with a baryonic mass of 1.6 + or - 0.045 solar mass, which corresponds to a gravitational mass of 1.43 + or - 0.05 solar mass after subtracting the binding energy of a nonrotating neutron star.

Thielemann, Friedrich-Karl↗
DOE OSTI2022

Mapping the N = 40 island of inversion: Precision mass measurements of neutron-rich Fe isotopes

Nuclear properties across the chart of nuclides are key to improving and validating our understanding of the strong interaction in nuclear physics. Here we present high-precision mass measurements of neutron-rich Fe isotopes performed at the TITAN facility. The multiple-reflection time-of-flight mass spectrometer (MR-ToF-MS), achieving a resolving power greater than 600000 for the first time, enabled the measurement of 63–70 Fe, including first-time high-precision direct measurements (δm/m ≈ 10 -7 ) of 68–70 Fe, as well as the discovery of a long-lived isomeric state in 69 Fe. These measurements are accompanied by both mean-field and ab initio calculations using the most recent realizations which enable theoretical assignment of the spin-parities of the 69 Fe ground and isomeric states. Together with mean-field calculations of quadrupole deformation parameters for the Fe isotope chain, these results benchmark a maximum of deformation in the N = 40 island of inversion in Fe and shed light on trends in level densities indicated in the newly refined mass surface.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Evolution of shell gaps in the neutron-poor calcium region from invariant-mass spectroscopy of 37,38 Sc, 35 Ca, 34 K

A fast secondary beam of 37 Ca impinged on a 9 Be target resulting in a set of reactions populating proton-rich nuclei including 35 Ca and the first observations of 37,38 Sc and 34 K. Invariant-mass spectroscopy, used to reconstruct proton decays for these nuclei, yielded three new ground-state masses and information on their low-lying structures. The newly measured mass excesses are: ΔM( 37 Sc) = 3500(410) keV, ΔM( 38 Sc) = –4656(14) keV, and ΔM( 34 K) = –1487(17) keV. These nuclei straddle the well-known Z = 20 shell closure as well as the N = 16 subshell closure. Furthermore, trends in separation energies help elucidate how nuclear structure evolves showing a fading of the Z = 20 shell gap for N ≥ 18 and indications of a N = 16 subshell gap.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Bayesian averaging for ground state masses of atomic nuclei in a Machine Learning approach

We present global predictions of the ground state mass of atomic nuclei based on a novel Machine Learning algorithm. We combine precision nuclear experimental measurements together with theoretical predictions of unmeasured nuclei. This hybrid data set is used to train a probabilistic neural network. In addition to training on this data, a physics-based loss function is employed to help refine the solutions. The resultant Bayesian averaged predictions have excellent performance compared to the testing set and come with well-quantified uncertainties which are critical for contemporary scientific applications. We assess extrapolations of the model’s predictions and estimate the growth of uncertainties in the region far from measurements.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Design of High-Performance Lead-Free Quaternary Antiperovskites for Photovoltaics via Ion Type Inversion and Anion Ordering

The emergence of halide double perovskites significantly increases the compositional space for lead-free and air-stable photovoltaic absorbers compared to halide perovskites. Nevertheless, most halide double perovskites exhibit oversized band gaps (>1.9 eV) or dipole-forbidden optical transition, which are unfavorable for efficient single-junction solar cell applications. The current device performance of halide double perovskite is still inferior to that of lead-based halide perovskites, such as CH 3 NH 3 PbI 3 (MAPbI 3 ). Here, by ion type inversion and anion ordering on perovskite lattice sites, two new classes of pnictogen-based quaternary antiperovskites with the formula of X 6 B 2 AA' and X 6 BB'A 2 are designed. Phase stability and tunable band gaps in these quaternary antiperovskites are demonstrated based on first-principles calculations. Further photovoltaic-functionality-directed screening of these materials leads to the discovery of 5 stable compounds (Ca 6 N 2 AsSb, Ca 6 N 2 PSb, Sr 6 N 2 AsSb, Sr 6 N 2 PSb, and Ca 6 NPSb 2 ) with suitable direct band gaps, small carrier effective masses and low exciton binding energies, and dipole-allowed strong optical absorption, which are favorable properties for a photovoltaic absorber material. The calculated theoretical maximum solar cell efficiencies based on these five compounds are all larger than 29%, comparable to or even higher than that of the MAPbI 3 based solar cell. Finally, our work reveals the huge potential of quaternary antiperovskites in the optoelectronic field and provides a new strategy to design lead-free and air-stable perovskite-based photovoltaic absorber materials.

three-dimensional electronic transport↗
DOE OSTI2021

Reexamining the variational two-particle reduced density matrix for nuclear systems

We report that in most nuclear many-body methods, observables are calculated using many-body wave functions explicitly. The variational two-particle reduced density matrix method is one of the few exceptions to the rule. Ground-state energies of both closed-shell and open-shell nuclear systems can indeed be evaluated by minimizing a constrained linear functional of the two-particle reduced density matrix. However, it has virtually never been used in nuclear theory, because nuclear ground states were found to be well overbound, contrary to those of atoms and molecules. Consequently, we introduced new constraints in the nuclear variational two-particle reduced density matrix method, developed recently for atomic and molecular systems. Our calculations then show that this approach can provide a proper description of nuclear systems where only valence neutrons are included. For the nuclear systems where both neutrons and protons are active, however, the energies obtained with the variational two-particle reduced density matrix method are still overbound. The possible reasons for the noticed discrepancies and solutions to this problem will be discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Nucleon-pair coupling scheme in Elliott's SU(3) model

Elliott's SU(3) model is at the basis of the shell-model description of rotational motion in atomic nuclei. Here we demonstrate that SU(3) symmetry can be realized in a truncated shell-model space if constructed in terms of a sufficient number of collective S, D, G,...pairs (i.e., with angular momentum zero, two, four,...) and if the structure of the pairs is optimally determined either by a conjugate-gradient minimization method or from a Hartree-Fock intrinsic state. We illustrate the procedure for six protons and six neutrons in the pf (sdg) shell and exactly reproduce the level energies and electric quadrupole properties of the ground-state rotational band with SDG (SDGI) pairs. The SD-pair approximation without significant renormalization, on the other hand, cannot describe the full SU(3) collectivity. A mapping from Elliott's fermionic SU(3) model to systems with s, d, g,... bosons provides insight into the existence of a decoupled collective subspace in terms of S, D, G,... pairs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nuclear energy density functionals grounded in ab initio calculations

Here, we discuss the construction of a nuclear energy density functional (EDF) from ab initio computations and advocate the need for a methodical approach that is free from ad hoc assumptions. The equations of state (EoSs) of symmetric nuclear and pure neutron matter are computed using the chiral NNLO sat and the phenomenological AV4' + UIX c Hamiltonians as inputs to self-consistent Green's function (SCGF) and auxiliary field diffusion Monte Carlo (AFDMC) methods. We propose a convenient parametrization of the EoS as a function of the Fermi momentum and fit it on the SCGF and AFDMC calculations. We apply the ab initio based EDF to carry out an analysis of the binding energies and charge radii of different nuclei in the local density approximation. The NNLO sat -based EDF produces encouraging results, whereas the AV4' + UIX c -based one is farther from experiment. Possible explanations of these different behaviors are suggested, and the importance of gradient and spin-orbit terms is analyzed. Our paper paves the way for a practical and systematic way to merge ab initio nuclear theory and density functional theory, while shedding light on some critical aspects of this procedure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Applications of reduced-basis methods to the nuclear single-particle spectrum

Reduced-basis methods provide a powerful framework for building efficient and accurate emulators. Although widely applied in many fields to simplify complex models, reduced-basis methods have only been recently introduced into nuclear physics. In this Letter we build an emulator to study the single-particle structure of atomic nuclei. By scaling a suitable mean-field Hamiltonian, a “universal” reduced basis is constructed capable of accurately and efficiently reproduce the entire single-particle spectrum of a variety of nuclei. Indeed, the reduced-basis model reproduces both ground- and excited-state energies as well as the associated wave functions with remarkable accuracy. Here our results bode well for more demanding applications that use Bayesian optimization to calibrate nuclear energy density functionals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1987

Three-body Coulomb bound states

The binding energies of three-particle systems containing two electrons and one positive particle of mass M are reexamined in an attempt to understand the approximate proportionality of the 1Se ground-state binding energies of the reduced masses, as pointed out by Botero and Green (1986). The contribution to the energy of the mass-polarization term is evaluated. No fundamental principle is involved, since the mass polarization merely decreases somewhat as the mass of the positive particle is reduced below the proton mass. In the case of the excited 3Pe state, this reduction is not sufficient to allow binding when M approaches the electron mass. Some properties of the recently observed negative muonium ion (e/-/ mu/+/ e/-/) are also computed.

Bhatia, A. K.↗
NASA NTRS1979

The hydrodynamics of off-center explosions

The behavior of off-center supernova explosions is investigated using a two-dimensional hydrodynamic code. An important application of these calculations is the possible formation of high-velocity pulsars. The dependence of the final velocity of the collapsed remnant on the location and energy of the explosion is computed. The largest remnant velocities result from explosions located at a mass fraction of 0.5. An explosion energy 50% greater than the binding energy of the star ejects 0.51 solar masses, producing a 1.4 solar mass remnant with a velocity of 400 km/s. However, this energy must be generated in a very small region of the star in order to create the required asymmetry in the explosion. Because of this, a specific energy of about 10 to the 20th ergs/g is needed. Nuclear reactions can produce no more than about 5 x 10 to the 17th erg/g, and it is unclear how the energy produced in gravitational collapse models can be sufficiently localized. Unless a supernova mechanism can be found which can produce enough energy in a small region of the star, off-center explosions do not provide a satisfactory explanation for high-velocity pulsars.

Fryxell, B. A.↗
NASA NTRS1980

Solar wind sputtering effects in the atmospheres of Mars and Venus

It is found through an investigation, combining Monte Carlo simulations and analytical techniques, of the direct collisional interaction of an energetic particle flux with the neutral components of a planetary atmosphere, that solar wind sputtering could provide an important exospheric mass sink on both Mars and Venus under appropriate conditions. The computed rates of helium loss in the Venusian atmosphere and of carbon, nitrogen and oxygen in the Martian atmosphere imply that sputtering would have a significant effect on the noble gas budget of Venus and dominate the chemical and photochemical loss processes of Mars. Because of diffusive separation of lighter elements and isotopes, and because the gravitational binding energy is proportional to the mass, the erosion process preferentially removes the lighter components of the atmosphere. Solar wind sputtering could therefore compete with other erosion mechanisms in generating substantial fractionation effects.

Watson, C. C.↗
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↗