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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fast emulation of quantum three-body scattering

Here, we develop a class of emulators for solving quantum three-body scattering problems. They are based on combining the variational method for scattering observables and the recently proposed eigenvector continuation concept. The emulators are first trained by the exact scattering solutions of the governing Hamiltonian at a small number of points in its parameter space, and then employed to make interpolations and extrapolations in that space. Through a schematic nuclear-physics model with finite-range two and three-body interactions, we demonstrate the emulators to be extremely accurate and efficient. The computing time for emulation is on the scale of milliseconds (on a laptop), with relative errors ranging from 10 –13 to 10 –4 depending on the case. The emulators also require little memory. We argue that these emulators can be generalized to even more challenging scattering problems. Furthermore, this general strategy may be applicable for building the same type of emulators in other fields, wherever variational methods can be developed for evaluating physical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Axial deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator Basis

HFBTHO is a physics computer code that is used to model the structure of the nucleus. It is an implementation of the nuclear energy Density Functional Theory (DFT), where the energy of the nucleus is obtained by integration over space of some phenomenological energy density, which is itself a functional of the neutron and proton densities. In HFBTHO, the energy density derives either from the zero-range Dkyrme or the finite-range Gogny effective two-body interaction between nucleons. Nuclear superfluidity is treated at the Hartree-Fock-Bogoliubov (HFB) approximation, and axial-symmetry of the nuclear shape is assumed. This version is the 3rd release of the program; the two previous versions were published in Computer Physics Communications [1,2]. The previous version was released at LLNL under GPL 3 Open Source License and was given release code LLNL-CODE-573953.

Perez, R. Navarro↗
DOE OSTI2015

Numerical analysis for finite-range multitype stochastic contact financial market dynamic systems

In an attempt to reproduce and study the dynamics of financial markets, a random agent-based financial price model is developed and investigated by the finite-range multitype contact dynamic system, in which the interaction and dispersal of different types of investment attitudes in a stock market are imitated by viruses spreading. With different parameters of birth rates and finite-range, the normalized return series are simulated by Monte Carlo simulation method and numerical studied by power-law distribution analysis and autocorrelation analysis. To better understand the nonlinear dynamics of the return series, a q-order autocorrelation function and a multi-autocorrelation function are also defined in this work. The comparisons of statistical behaviors of return series from the agent-based model and the daily historical market returns of Shanghai Composite Index and Shenzhen Component Index indicate that the proposed model is a reasonable qualitative explanation for the price formation process of stock market systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Electron-Phonon Systems on a Universal Quantum Computer

We present an algorithm that extends existing quantum algorithms for simulating fermion systems in quantum chemistry and condensed matter physics to include bosons in general and phonons in particular. We introduce a qubit representation for the low-energy subspace of phonons which allows an efficient simulation of the evolution operator of the electron-phonon systems. As a consequence of the Nyquist-Shannon sampling theorem, the phonons are represented with exponential accuracy on a discretized Hilbert space with a size that increases linearly with the cutoff of the maximum phonon number. The additional number of qubits required by the presence of phonons scales linearly with the size of the system. The additional circuit depth is constant for systems with finite-range electron-phonon and phonon-phonon interactions and linear for long-range electron-phonon interactions. Our algorithm for a Holstein polaron problem was implemented on an Atos quantum learning machine quantum simulator employing the quantum phase estimation method. The energy and the phonon number distribution of the polaron state agree with exact diagonalization results for weak, intermediate, and strong electron-phonon coupling regimes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Finite-range effects in dilute Fermi gases at unitarity

We develop a theoretical method going beyond the contact-interaction approximation frequently used in mean-field theories of many-fermion systems, based on the low-energy T matrix of the pair potential to rigorously define the effective radius of the interaction. One of the main consequences of our approach is the possibility to investigate finite-density effects, which are outside the range of validity of approximations based on {delta}-like potentials. We apply our method to the calculation of density-dependent properties of an ultracold gas of {sup 6}Li atoms at unitarity, whose two-body interaction potential is calculated using ab initio quantum chemistry methods. We find that density effects will be significant in ultracold gases with densities 1 order of magnitude higher than those attained in current experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Echoes from anharmonic normal modes in model glasses

Glasses display a wide array of nonlinear acoustic phenomena at temperatures T ≲1 K. This behavior has traditionally been explained by an ensemble of weakly coupled, two-level tunneling states, a theory that is also used to describe the thermodynamic properties of glasses at low temperatures. One of the most striking acoustic signatures in this regime is the existence of phonon echoes, a feature that has been associated with two-level systems with the same formalism as spin echoes in NMR. Here we report the existence of a distinctly different type of acoustic echo in classical models of glassy materials. Our simulations consist of finite-ranged, repulsive spheres and also particles with attractive forces using Lennard-Jones interactions. We show that these echoes are due to anharmonic, weakly coupled vibrational modes and perhaps provide an alternative explanation for the phonon echoes observed in glasses at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Explicit inclusion of nonlocality in ( d , p ) transfer reactions

Traditionally, nucleon-nucleus optical potentials are made local for convenience. In recent work we studied the effects of including nonlocal interactions explicitly in the final state for (d,p) reactions, within the distorted wave Born approximation. Our goal in this work is to develop an improved formalism for nonlocal interactions that includes deuteron breakup and to use it to study the effects of including nonlocal interactions in transfer (d,p) reactions, in both the deuteron and the proton channel. We extend the finite-range adiabatic distorted wave approximation to include nonlocal nucleon optical potentials. We apply our method to (d,p) reactions on 16 O, 40 Ca, 48 Ca, 126 Sn, 132 Sn, and 208 Pb at 10, 20 and 50 MeV. Here, we find that nonlocality in the deuteron scattering state reduces the amplitude of the wave function in the nuclear interior, and shifts the wave function outward. In many cases, this has the effect of increasing the transfer cross section at the first peak of the angular distributions. This increase was most significant for heavy targets and for reactions at high energies. Lastly, our systematic study shows that, if only local optical potentials are used in the analysis of experimental (d, p) transfer cross sections, the extracted spectroscopic factors may be incorrect by up to 40% due to the local approximation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Trajectories of S-matrix poles in a new finite-range potential

The trajectories of S-matrix poles are calculated in the finite-range phenomenological potential introduced recently by Salamon and Vertse [Phys. Rev. C 77, 037302 (2008)] (SV). The potential is similar to a Woods-Saxon (WS) interaction, but it is exactly zero beyond a radius, without any cutoff. The trajectories of the resonance poles in this SV potential are compared to the corresponding trajectories in a cutoff WS potential for l>0. The dependence on the cutoff radius is demonstrated. The starting points of the trajectories turn out to be related to the average ranges of the two terms in the SV potential.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

One-dimensional Hubbard-Holstein model with finite-range electron-phonon coupling

The Hubbard-Holstein model describes fermions on a discrete lattice, with on-site repulsion between fermions and a coupling to phonons that are localized on sites. Generally, at half-filling, increasing the coupling g to the phonons drives the system towards a Peierls charge density wave state, whereas increasing the electron-electron interaction U drives the fermions into a Mott antiferromagnet. At low g and U, or when doped, the system is metallic. In one dimension, using quantum Monte Carlo simulations, we study the case where fermions have a long-range coupling to phonons, with characteristic range ξ, interpolating between the Holstein and Fröhlich limits. Without electron-electron interaction, the fermions adopt a Peierls state when the coupling to the phonons is strong enough. This state is destabilized by a small coupling range ξ and leads to a collapse of the fermions, and, consequently, phase separation. Increasing interaction U will drive any of these three phases (metallic, Peierls, phase separation) into a Mott insulator phase. Furthermore, the phase separation region is once again present in the U ≠ 0 case, even for small values of the coupling range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Effect of choosing the Q{sub α}-values and daughter density distributions on the magic numbers predicted by α decays

We investigated the effects of choosing the α-decay energy (Q{sub α}) and particular density distributions of the daughter nuclei on predicting unknown magic numbers, or confirming some of them. The Q{sub α} values were calculated using three models, namely the finite-range droplet model (FRDM), the Weizsäcker–Skyrme (WS4) mass model, and a recent fitting formula. The α-decay half-lives (T{sub α}) of superheavy nuclei of Z = 118–124 have been calculated within the generalized density-dependent cluster model. The double-folding α+core potential was determined based on the M3Y-Reid nucleon–nucleon interaction. We have used the two-parameter Fermi distribution to represent the nuclear density, with four sets of parameters that were determined based on electron scattering data and different microscopic calculations. Upon investigating the relative stability of the mentioned superheavy isotopic chains, we found that the Q{sub α}-values deduced from FRDM and WS4 models predict different neutron magic numbers. The examined fitting formula failed to predict any magic number larger than N = 162. Under normalization to the proton and neutron (N) numbers, the different choices of the density distributions showed almost no effect on the general behavior of T{sub α} with N, but changed its values up to one order of magnitude. Even though the maxima and minima of T{sub α} clearly follow the characteristic minima and maxima of Q{sub α}, respectively, the results showed that precise density distribution and deformations, in addition to a correct preformation probability, are necessarily required for estimating an accurate value of the half-life.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Beta-Delayed Neutron Emission of 𝑁=84 132Cd

Using the time-of-flight technique, we measured the beta-delayed neutron emission of 132 Cd . From our large-scale shell model (LSSM) calculation using the N3⁢LO interaction [, Phys. Rev. Lett. 131, 022501 (2023)], we suggest the decay is dominated by the transformation of a neutron in the 𝑔7/2 orbital, deep below the Fermi surface, into a proton in the 𝑔9/2 orbital. We compare the beta-decay half-lives and neutron branching ratios of nuclei with 𝑍<50 and 𝑁 ≥82 obtained with our LSSM with those of leading “global” models such as finite-range droplet model (FRDM). Our calculations match known half-lives and neutron branching ratios well and suggest that current leading models overestimate the yet-to-be-measured half-lives. Our model, backed by the 132 Cd decay data presented here, offers robust predictive power for nuclei of astrophysical interest such as 𝑟-process waiting points.

Madurga, M [Department of Physics and Astronomy, U↗
DOE OSTI2026

Finite-range pairing in nuclear density functional theory

Pairing correlations are ubiquitous in low-energy states of atomic nuclei. To incorporate them within nuclear density functional theory, often used for global computations of nuclear properties, pairing functionals that generate nucleonic pair densities and pairing fields are introduced. Many pairing functionals currently used can be traced back to zero-range nucleon-nucleon interactions. Unfortunately, such functionals are plagued by deficiencies that become apparent in large model spaces that contain unbound single-particle (continuum) states. In particular, the underlying computational schemes diverge as the single-particle space increases, and the results depend on how marginally occupied states are incorporated. These problems become more pronounced for pairing functionals that contain gradient-density dependence, such as in the Fayans functional. To remedy this, finite-range pairing functionals are introduced. In this study, this is done by folding the pair density with Gaussians. Here, we show that a folding radius of about 1 fm offers the best compromise between quality and stability, and substantially reduces the pathological behavior in different numerical applications.

Nuclear density functional theory↗
DOE OSTI2019

Nuclear properties for astrophysical and radioactive-ion-beam applications (II)

We tabulate the ground-state odd-proton and odd-neutron spins and parities, proton and neutron pairing gaps, one- and two-neutron separation energies, quantities related to β-delayed one- and two-neutron emission probabilities, average energy and average number of emitted neutrons, β-decay energy release and half-life with respect to Gamow–Teller decay with a phenomenological treatment of first-forbidden decays, one- and two-proton separation energies, and α-decay energy release and half-life for 9318 nuclei ranging from {sup 16}O to {sup 339}136 and extending from the proton drip line to the neutron drip line. This paper is a new and improved version of Atomic Data And Nuclear Data Tables [66 131 (1997)]. The starting point of our present work is the new study (FRDM(2012)) of nuclear ground-state masses and deformations based on the finite-range droplet model and folded-Yukawa single-particle potential published in a previous issue of Atomic Data And Nuclear Data Tables [109–110, 1 (2016)]. The β-delayed neutron-emission probabilities and Gamow–Teller β-decay rates are obtained from a quasi-particle random-phase approximation with single-particle levels and wave functions at the calculated nuclear ground-state shapes as input quantities. A development since 1997 is we now use a Hauser–Feshbach approach to account for (n, γ) competition and treat first-forbidden decay in a phenomenological approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

A scattering view of the Bogoliubov-de Gennes equations

We advocate the use of the T -matrix of the pair potential to study the properties of ultracold Fermi gases in the mean-field approximation. Our approach does not require renormalization procedures even in the limit of contact interaction, and it provides a rigorous definition of the range of the potential. We also rewrite the Bogoliubov-de Gennes equation for the pairing function as a function of the T-matrix, and use it to investigate finite-range effects on the main thermodynamic observables in a gas of {sup 6}Li atoms at unitarity, calculating the pair potential with ab initio quantum chemical methods.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2012

The use of Ixaru's method in locating the poles of the S-matrix in strictly finite-range potentials

Energies of the S-matrix poles are calculated by solving the radial Schroedinger equation numerically by using Ixaru's CPM(2) method. The trajectories of the poles in the complex wave number plane are determined for two nuclear potentials that are zero beyond finite distances. These are the Woods-Saxon form with cutoff and the Salamon-Vertse potential, which goes to zero smoothly at a finite distance. Properties of the trajectories are analyzed for real and complex values of the depths of the corresponding potentials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Renormalization of a finite-range inverse-cube potential

We study the regularization and renormalization of a finite-range inverse-cube potential in the two- and three-body sectors. Specifically, we compare and contrast three different regulation schemes frequently used to study few-body systems as well as the associated renormalization group (RG) flows. We also calculate bound-state and scattering observables over a wide range of cutoffs, demonstrating the sufficiency of a two-body contact interaction to renormalize two- and three-body observables. Here, we supplement these plots with quantified analyses of the observables' residual cutoff dependences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Gogny-force-derived effective shell-model Hamiltonian

The density-dependent finite-range Gogny force has been used to derive the effective Hamiltonian for the shell-model calculations of nuclei. The density dependence simulates an equivalent three-body force, while the finite range gives a Gaussian distribution of the interaction in the momentum space and hence leads to an automatic smooth decoupling between low-momentum and high-momentum components of the interaction, which is important for finite-space shell-model calculations. Two-body interaction matrix elements, single-particle energies, and the core energy of the shell model can be determined by the unified Gogny force. The analytical form of the Gogny force is advantageous to treat cross-shell cases, while it is difficult to determine the cross-shell matrix elements and single-particle energies using an empirical Hamiltonian by fitting experimental data with a large number of matrix elements. In this paper, we have applied the Gogny-force effective shell-model Hamiltonian to the p- and sd-shell nuclei. The results show good agreements with experimental data and other calculations using empirical Hamiltonians. The experimentally known neutron drip line of oxygen isotopes and the ground states of typical nuclei 10B and 18N can be reproduced, in which the role of three-body force is non-negligible. Here, the Gogny-force-derived effective Hamiltonian has also been applied to the cross-shell calculations of the sd–pf shell.

20 ≤ A ≤ 38↗