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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 1,009 records · Page 56
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DOE OSTI2019

Clustering in structure and reactions using configuration interaction techniques

Atomic nuclei are remarkable quantum many-body systems where clustering properties develop naturally from underlying interactions between the constituent nucleons. Clustering degrees of freedom manifest themselves in multiple structure and reaction observables. Our goal is to study nuclear clustering and its emergence in many-nucleon dynamics from nucleon-nucleon interactions. Clustering is a phenomenon that is known to emerge on the boundary between structure and reactions, therefore developing appropriate techniques that bridge the structure-reaction divide and establishing connections to observables is among our principal objectives. Showing consistency and how the new techniques can be reduced to well established other methods is an important part of this work. Here, the configuration-interaction technique based on second quantization is used to treat the quantum many-body problem assuring that fermionic antisymmetry is fully satisfied. The use of the harmonic oscillator single-particle basis allows for the center-of-mass coordinate to be separated and prepared in a desired oscillator state for each cluster. The relative motion reaction basis channels are constructed by coupling clusters in different harmonic oscillator states with respect to their relative motion. Finally, using a resonating group method strategy we solve the generalized eigenvalue problem to obtain scattering channels. Structural clustering characteristics are discussed and the modified harmonic oscillator representation for scattering equations method is used to extract scattering observables. New methods for treating clustering problems have been put forward. We demonstrate broad applicability of the developed techniques. Examples highlight connections with algebraic techniques, and the role of approximations leading to algebraic limits is assessed using realistic examples. Various types of clustering characteristics are used to study alpha clustering in light nuclei that are relevant to currently ongoing experimental efforts. We demonstrate the emergence of strongly clustered bands of states in beryllium, triple alpha channels in 12 C, and molecular type clustering in 21 Ne. Starting from nucleon-nucleon interactions without any additional assumptions scattering phase shifts for alpha-alpha scattering are determined and shown to be consistent with those observed. In this work we put forward a new configuration-interaction-based method that targets the physics of clustering, and further unifies nuclear structure and reactions. We provide detailed discussions and many examples highlighting features and advantages of the approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Low-energy bound states, resonances, and scattering of light ions

Here, we describe bound states, resonances, and elastic scattering of light ions using a δ-shell potential. Focusing on low-energy data such as energies of bound states and resonances, charge radii, asymptotic normalization coefficients, effective-range parameters, and phase shifts, we adjust the two parameters of the potential to some of these observables and make predictions for the nuclear systems d+α, 3 H+α, 3 He+α, α+α, and p+ 16 O. We identify relevant momentum scales for Coulomb halo nuclei and propose how to apply systematic corrections to the potentials. This allows us to quantify statistical and systematic uncertainties. We present a constructive criticism of Coulomb halo effective field theory and compute the unknown charge radius of 17 F.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Hot and dense matter equation of state probability distributions for astrophysical simulations

We add an ensemble of nuclei to the equation of state for homogeneous nucleonic matter to generate a new set of models suitable for astrophysical simulations of core-collapse supernovae and neutron star mergers. We implement empirical constraints from (i) nuclear mass measurements, (ii) proton-proton scattering phase shifts, and (iii) neutron star observations. Our model is also guided by microscopic many-body theory calculations based on realistic nuclear forces, including the zero-temperature neutron matter equation of state from quantum Monte Carlo simulations and thermal contributions to the free energy from finite-temperature many-body perturbation theory. We ensure that the parameters of our model can be varied while preserving thermodynamic consistency and the connection to experimental or observational data, thus providing a probability distribution of the astrophysical hot and dense matter equation of state. Furthermore, we compare our results with those obtained from other available equations of state. While our probability distributions indeed represent a large number of possible equations of state, we cannot yet claim to have fully explored all of the uncertainties, especially with regard to the structure of nuclei in the hot and dense medium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Renormalization of one-pion exchange in chiral effective field theory for antinucleon-nucleon scattering

The renormalization of iterated one-pion exchange (OPE) is studied in Chiral Effective Field Theory ($\chi$EFT) for the antinucleon-nucleon ($\overline{N}N$) system. The OPE potential is cut off at a certain distance and contact interactions are represented by a complex spherical well with the same radius. We investigate the dependence on the cutoff radius of the phase shifts, inelasticities, and mixing angles for the low partial waves in $\overline{N}N$ scattering. We show that renormalization requires additional contact interactions compared to the expectation based on naive dimensional analysis. Results after renormalization are compared with the state-of-the-art energy-dependent partial-wave analysis of $\overline{N}N$ data. We compare our conclusions with applications of $\chi$EFT to the nucleon-nucleon system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Calculations of the $np→dγ$ reaction in chiral effective field theory

Here, we present a calculation of the radiative capture cross section of the $np→dγ$ reaction in the low-energy range, where the M⁢1 reaction channel dominates. Employing the LENPIC nucleon-nucleon interaction up to the fifth order (N4LO) that is regularized by the semilocal coordinate space regulators, we obtain the initial and final state wave functions, and evaluate the phase shifts of the scattering state and deuteron properties. We derive the transition operator from the chiral effective field theory up to the next-to-next-to leading order (N2LO), where we also regularize the transition operator using regulators consistent with those of the interactions. We compute the capture cross sections, and the results show a converging pattern with the chiral-order expansion of the nucleon-nucleon interaction, where the regulator dependence of the results is weak when higher-order nucleon-nucleon interactions are employed. We quantify the uncertainties of the cross-section results due to the chiral-order truncation. The chirally complete and consistent cross-section results are calculated up to N2LO and they compare well with the experiments and other theoretical predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Variational Monte Carlo calculations of n + H 3 scattering

A paramount goal in nuclear physics is to unify ab initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound-state calculations in light systems but have seen minimal implementation in unbound systems. Here, we introduce a numerical method to improve the efficiency and accuracy of unbound-state calculations in QMC. As an initial application, we compute scattering observables for the smallest system available to probe three-body forces, the neutron-triton system, using variational Monte Carlo (VMC) wave functions. The method involves inferring long-range amplitudes in the wave function from integrals over the short-range region where all the particles interact. This approach using integral relations is well established in the literature; here, we develop it for the QMC framework. We validate our approach with a consistency check between short-range spectroscopic overlap functions computed from direct evaluation and from the integral relations; scattering amplitudes are long-range asymptotics of those overlaps. Comparison against published benchmark calculations using the same potential demonstrates that when applied to the current VMC wave functions, the integral method produces more accurate scattering observables than direct evaluation from the same variational wave function. However, it still differs noticeably from the exact results. Using additional interactions, we then present phase shifts and mixing parameters for the n + 3 H system. In particular, we present one of the first applications of the Norfolk family of local coordinate-space chiral potentials in unbound systems of A > 2. The Norfolk results accurately describe s-wave scattering but predict p-wave cross sections too large. Compared with previous QMC scattering calculations, the integral method avoids difficulties associated with the precise computation of energy differences and with convergence outside the interaction region, which is particularly severe in the variational calculation. Application of the integral method here paves the way for its use in Green's function Monte Carlo (GFMC) calculations. In GFMC, the wave functions are more accurate, but the high-precision convergence of their tails is slow, and there are additional difficulties in reading out amplitudes. Here, the integral methods will address both of those remaining problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Entanglement maximization in low-energy neutron-proton scattering

The entanglement properties of neutron-proton scattering are investigated using a measure that counts the number of entangled pairs produced by the action of a scattering operator on a given initial neutron-proton state. All phase shifts relevant for scattering at laboratory energies up to 350 MeV are used. Entanglement is found to depend strongly on the initial state. Entanglement is maximized in very low energy scattering if the initial spin state is | ↑ ↓ >, but not if the initial state is | ↑ ↑ > . At such energies the Hamiltonian obeys Wigner SU(4) symmetry, and an entanglement maximum is a sign of that symmetry. At higher energies the angular dependence of entanglement is strong and the entanglement is large for many scattering angles. Furthermore, the tensor force is shown to play a significant role in producing entanglement at laboratory kinetic energies greater than about 50 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Ab initio translationally invariant nucleon-nucleus optical potentials

We combine the ab initio symmetry-adapted no-core shell model (SA-NCSM) with the single-particle Green's function approach to construct optical potentials rooted in first principles. Specifically, we show that total cross sections and phase shifts for neutron elastic scattering from a 4 He target with projectile energies between 0.5 and 10 MeV closely reproduce the experiment. In addition, we discuss an important new development that resolves a long-standing issue with spurious center-of-mass motion in the Green's function formalism for many-body approaches. Furthermore, the new development opens a path for first-principle predictions of cross sections for elastic scattering of single-nucleon projectiles, nucleon capture, and deuteron breakup reactions, feasible for a broad range of open-shell spherical and deformed nuclei in the SA-NCSM approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Maximally local two-nucleon interactions at N 3 LO in Δ -less chiral effective field theory

We present new maximally local two-nucleon interactions derived in Δ -less chiral effective field theory up to next-to-next-to-next-to-leading order ( N 3 LO ), which include all contact and pion-exchange contributions to the nuclear Hamiltonian up to this order. Our interactions are fit to nucleon-nucleon phase shifts using a Bayesian statistical approach, and explore a wide cutoff range from 0.6 – 0.9 fm ( ≈ 660 – 440 MeV ). These interactions can be straightforwardly employed in quantum Monte Carlo methods, such as the auxiliary field diffusion Monte Carlo method. Together with local three-nucleon forces, calculations with these new interactions will provide improved benchmarks for the structure of atomic nuclei and serve as crucial input to analyses of astrophysical phenomena of neutron stars, such as binary neutron-star mergers. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Emulating ab initio computations of infinite nucleonic matter

We construct efficient emulators for the computation of the infinite nuclear matter equation of state. These emulators are based on the subspace-projected coupled-cluster method for which we here develop a new algorithm called small-batch voting to eliminate spurious states that might appear when emulating quantum many-body methods based on a non-Hermitian Hamiltonian. The efficiency and accuracy of these emulators facilitate a rigorous statistical analysis within which we explore nuclear matter predictions for > 10 6 different parametrizations of a chiral interaction model with explicit Δ -isobars at next-to-next-to leading order. Constrained by nucleon-nucleon scattering phase shifts and bound-state observables of light nuclei up to He 4 , we use history matching to identify nonimplausible domains for the low-energy coupling constants of the chiral interaction. Within these domains we perform a Bayesian analysis using sampling and importance resampling with different likelihood calibrations and study correlations between interaction parameters, calibration observables in light nuclei, and nuclear matter saturation properties. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Resonant shattering flares as asteroseismic tests of chiral effective field theory

Chiral effective field theory (𝜒⁢EFT) has proved to be a powerful microscopic framework for predicting the properties of neutron-rich nuclear matter with quantified theoretical uncertainties up to about twice the nuclear saturation density. Tests of 𝜒⁢EFT predictions are typically performed at low densities using nuclear experiments, with neutron star (NS) constraints only being considered at high densities. In this work, we discuss how asteroseismic quasinormal modes within NSs could be used to constrain specific matter properties at particular densities not just the integrated quantities to which bulk NS observables are sensitive. We focus on the crust-core interface mode, showing that measuring this mode's frequency would provide a meaningful test of 𝜒⁢EFT at densities around half the saturation density. Conversely, we use nuclear matter properties predicted by 𝜒⁢EFT to estimate that this mode's frequency is around 185 ± 50Hz. Asteroseismic observables such as resonant phase shifts in gravitational-wave signals and multimessenger resonant shattering flare timings, therefore, have the potential to provide useful tests of 𝜒⁢EFT.

effective field theory↗
DOE OSTI2015

Analytical continuation from bound to resonant states in the Dirac equation with quadrupole-deformed potentials

Here, resonances with pronounced single-particle characteristics are crucial for quantitative descriptions of exotic nuclei near and beyond the drip lines, and often impact halo formation and nucleon decay processes. Since the majority of nuclei are deformed, the interplay between deformation and orbital structure near threshold can lead to improved descriptions of exotic nuclei. Develop a method to study single-particle resonant orbital structure in the Dirac equation with a quadrupole-deformed Woods-Saxon potential. Determine the structure evolution of bound and resonant levels with deformation in this scheme, and examine the impact on halo formation in loosely bound systems, with a focus on the recent halo candidate nucleus 37 Mg. Analytical continuation of the coupling constant (ACCC) method is developed on the basis of the Dirac equation with a deformed Woods-Saxon potential. The scalar and vector terms in the deformed potential are determined by the energies of the valence neutron and nearby orbitals, which are extracted from a self-consistent relativistic Hartree-Bogoliubov (RHB) calculation with the PC-PK1 density functional. As a result, we compare the energies and widths of resonant orbitals in the recent halo nucleus candidate 37 Mg using the ACCC method based on the Dirac coupled-channel equations with those determined from the scattering phase shift (SPS) method. It is found that the results from the two methods agree well for narrow resonances, whereas the SPS method fails for broad resonances. Nilsson levels for bound and resonant orbitals from the ACCC method are calculated over a wide range of deformations and show some decisive hints of halo formation in 37 Mg. In conclusion, in our ACCC model for deformed potentials in the coupled-channel Dirac equations, the crossing of the configuration 1/2[321] and 5/2[312] orbitals at a deformation of approximately 0.5 enhances the probability to occupy the 1/2[321] orbital coming from 2 p3/2 thereby explaining the recent observation of a p-wave one-neutron halo configuration in 37 Mg. The resonant 1/2[301] configuration plays a crucial role in halo formation in the magnesium isotopes beyond A = 40 for a wide range of deformations larger than 0.2.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Extracting the mass dependence and quantum numbers of short-range correlated pairs from A ( e , e ' p ) and A ( e , e ' p p ) scattering

The addition of Molybdenum was used to modify the nanostructure and enhance coercivity of rare-earth-free Zr 2 Co 11 -based nanocrystalline permanent magnets. The effect of Mo addition on magnetic domain structures of melt spun nanocrystalline Zr 16 Co 84- x Mo x ( x = 0 , 0.5, 1, 1.5, and 2.0) ribbons has been investigated. It was found that magnetic properties and local domain structures are strongly influenced by Mo doping. The coercivity of the samples increases with the increase in Mo content ( x ≤ 1.5 ). The maximum energy product ( B H ) max increases with increasing x from 0.5 MGOe for x = 0 to a maximum value of 4.2 MGOe for x = 1.5 . The smallest domain size with a relatively short magnetic correlation length of 128 nm and largest root-mean-square phase shift Φ rms value of 0.66° are observed for the x = 1.5 . The optimal Mo addition promotes magnetic domain structure refinement and thus leads to a significant increase in coercivity and energy product in this sample. MDH is primarily a dimer in solution, although an oligomeric species with a molecular mass of ~450–560 kDa forms at higher protein concentrations. A new measurement of the rare, doubly radiative decay eta->pi 0 γγ was conducted with the Crystal Ball and TAPS multiphoton spectrometers together with the photon tagging facility at the Mainz Microtron MAMI.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Effective field theory in the harmonic oscillator basis

In this paper, we develop interactions from chiral effective field theory (EFT) that are tailored to the harmonic oscillator basis. As a consequence, ultraviolet convergence with respect to the model space is implemented by construction and infrared convergence can be achieved by enlarging the model space for the kinetic energy. In oscillator EFT, matrix elements of EFTs formulated for continuous momenta are evaluated at the discrete momenta that stem from the diagonalization of the kinetic energy in the finite oscillator space. By fitting to realistic phase shifts and deuteron data we construct an effective interaction from chiral EFT at next-to-leading order. Finally, many-body coupled-cluster calculations of nuclei up to 132 Sn converge fast for the ground-state energies and radii in feasible model spaces.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Shell model states in the continuum

Here we suggest a method for calculating scattering phase shifts and energies and widths of resonances which utilizes only eigenenergies obtained in variational calculations with oscillator basis and their dependence on oscillator basis spacing ℏΩ. We make use of simple expressions for the S matrix at eigenstates of a finite (truncated) Hamiltonian matrix in the oscillator basis obtained in the HORSE (J-matrix) formalism of quantum scattering theory. The validity of the suggested approach is verified in calculations with model Woods-Saxon potentials and applied to calculations of nα resonances and nonresonant scattering using the no-core shell model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Optical potential from first principles

Here, we develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green’s function approach with the coupled-cluster method. To deal with the poles of the Green’s function along the real energy axis we employ a Berggren basis in the complex energy plane combined with the Lanczos method. Using this approach, we perform a proof-of-principle calculation of the optical potential for the elastic neutron scattering on 16 O. For the computation of the ground-state of 16 O, we use the coupled-cluster method in the singles-and-doubles approximation, while for the A ±1 nuclei we use particle-attached/removed equation-of-motion method truncated at two-particle-one-hole and one-particle-two-hole excitations, respectively. We verify the convergence of the optical potential and scattering phase shifts with respect to the model-space size and the number of discretized complex continuum states. We also investigate the absorptive component of the optical potential (which reflects the opening of inelastic channels) by computing its imaginary volume integral and find an almost negligible absorptive component at low-energies. To shed light on this result, we computed excited states of 16 O using equation-of-motion coupled-cluster method with singles-and- doubles excitations and we found no low-lying excited states below 10 MeV. Furthermore, most excited states have a dominant two-particle-two-hole component, making higher-order particle-hole excitations necessary to achieve a precise description of these core-excited states. We conclude that the reduced absorption at low-energies can be attributed to the lack of correlations coming from the low-order cluster truncation in the employed coupled-cluster method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Three-body model for the two-neutron emission of Be 16 [Three-body model for the two-neutron decay of 16Be]

While diproton emission was first theorized in 1960 and first measured in 2002, it was first observed only in 2012. The measurement of 14 Be in coincidence with two neutrons suggests that 16Be does decay through the simultaneous emission of two strongly correlated neutrons. In this study, we construct a full three-body model of 16 Be (as 14 Be + n + n) in order to investigate its configuration in the continuum and, in particular, the structure of its ground state. Here, in order to describe the three-body system, effective n – 14 Be potentials were constructed, constrained by the experimental information on 15 Be. The hyperspherical R -matrix method was used to solve the three-body scattering problem, and the resonance energy of 16 Be was extracted from a phase-shift analysis. As a result, in order to reproduce the experimental resonance energy of 16 Be within this three-body model, a three-body interaction was needed. For extracting the width of the ground state of 16 Be, we use the full width at half maximum of the derivative of the three-body eigenphase shifts and the width of the three-body elastic scattering cross section. In conclusion, our results confirm a dineutron structure for 16 Be, dependent on the internal structure of the subsystem 15 Be.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Search for a hidden strange baryon-meson bound state from Φ production in a nuclear medium

We investigate the hidden strange light baryon-meson system. With the resonating-group method, two bound states, η'-N and Φ-N, are found in the quark delocalization color screening model. Focusing on the Φ-N bound state around 1950 MeV, we obtain the total decay width of about 4 MeV by calculating the phase shifts in the resonance scattering processes. To study the feasibility of an experimental search for the Φ-N bound state, we perform a Monte Carlo simulation of the bound state production with an electron beam and a gold target. In the simulation, we use the CLAS12 detector with the Forward Tagger and the BONUS12 detector in Hall B at Jefferson Lab. Both the signal and the background channels are estimated. We demonstrate that the signal events can be separated from the background with some momentum cuts. Therefore it is feasible to experimentally search for the Φ-N bound state through the near threshold Φ meson production from heavy nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗