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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Covariant Density Functional Theory in Nuclear Physics and Astrophysics

How does subatomic matter organize itself? Neutron stars are cosmic laboratories uniquely poised to answer this fundamental question that lies at the heart of nuclear science. Newly commissioned rare isotope facilities, telescopes operating across the entire electromagnetic spectrum, and ever more sensitive gravitational wave detectors will probe the properties of neutron-rich matter with unprecedented precision over an enormous range of densities. A coordinated effort between observation, experiment, and theoretical research is of paramount importance for realizing the full potential of these investments. Theoretical nuclear physics provides valuable insights into the properties of neutron-rich matter in regimes that are not presently accessible to experiment or observation. In particular, nuclear density functional theory is likely the only tractable framework that can bridge the entire nuclear landscape by connecting finite nuclei to neutron stars. This compelling connection is the main scope of the present review.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Muon capture on Li 6 , C 12 , and O 16 from ab initio nuclear theory

Muon capture on nuclei is one of the most promising probes of the nuclear electroweak current driving the yet-hypothetical neutrinoless double-beta (0νββ) decay. Both processes involve vector and axial-vector currents at finite momentum transfer, q ~ 100 MeV, as well as the induced pseu doscalar and weak-magnetism currents. Comparing measured muon-capture rates with reliable ab initio nuclear-theory predictions could help us validate these currents. To this end, we compute partial muon-capture rates for 6 Li, 12 C and 16 O, feeding the ground and excited states in 6 He, 12 B and 16 N, using ab initio no-core shell model with two- and three-nucleon chiral interactions. Here, we remove the spurious center-of-mass motion by introducing translationally invariant operators and approximate the effect of hadronic two-body currents by Fermi-gas model. We solve the bound-muon wave function from the Dirac wave equations in the Coulomb field created by a finite nucleus. We find that the computed rates to the low-lying states in the final nuclei are in good agreement with the measured counterparts. We highlight sensitivity of some of the transitions to the sub-leading three-nucleon interaction terms. We also compare summed rates to several tens of final states with the measured total capture rates and note that we slightly underestimate the total rate with this simple approach due to limited range of excitation energies

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Impact of the equation of state on f - and p - mode oscillations of neutron stars

We investigate the impact of the neutron-star matter equation of state on the f- and p1-mode oscillations of neutron stars obtained within the Cowling approximation and linearized general relativity. The f- and p 1 -mode oscillation frequencies, and their damping times are calculated using representative sets of Skyrme Hartree-Fock and relativistic mean-field models, all of which reproduce nuclear systematics and support 2M ⊙ neutron stars. Our study shows strong correlations between the frequencies of f- and p 1 -modes and their damping times with the pressure of β-equilibrated matter at densities equal to or slightly higher than the nuclear saturation density ρ 0 . Such correlations are found to be almost independent of the composition of the stars. The frequency of the p 1 -mode of 1.4M ⊙ star is strongly correlated with the slope of the symmetry energy L 0 and β-equilibrated pressure at density ρ 0 . Compared to GR calculations, the error in the Cowling approximation for the f-mode is about 30% for neutron stars of low mass, whereas it decreases with increasing mass. Here, the accuracy of the p 1 -mode is better than 15% for neutron stars of maximum mass, and improves for lower masses and higher number of radial nodes. I.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Analytic Sensitivity Coefficients for Bethe's Solution of the Neutron Slowing Down Equation

Neutron slowing down theory is used to derive expressions for the sensitivity coefficients of the neutron collision density in a hydrogenous infinite medium with respect to the fixed source, scattering probability, and macroscopic nuclear cross sections. Analytic expressions for Bethe’s solution of the neutron slowing down equation are derived for the constant cross section approximation with a point, uniform, and gamma lethargy spectrum. Analytic expressions for the corresponding sensitivity coefficients are derived and used to verify Monte Carlo neutron transport calculations.

Analytic Benchmark↗
DOE OSTI2022

Symplectic effective field theory for nuclear structure studies

Here, a Symplectic Effective Field Theory that unveils the observed emergence of symplectic symmetry in atomic nuclei is advanced. Specifically, starting from a simple extension of the harmonic-oscillator Lagrangian, an effective field theory applied against symplectic basis states is shown to yield a Hamiltonian system with one fitted parameter. The scale of the system can be determined self consistently as the ratio of the average volume of a nucleus assumed to be spherical to its volume as determined by the average number of oscillator quanta, which is stretched by the fact that the plane-wave solution satisfies the equations of motion at every order without the need for perturbative corrections. As an application of the theory, results for 20 Ne, 22 Ne and 22 Mg are presented that yield energy spectra, B(E2) values, and matter radii in good agreement with experimentally measured results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Elliptic flow splittings in the Polyakov–Nambu–Jona-Lasinio transport model

To incorporate the effect of gluons on the evolution dynamics of the quark matter produced in relativistic heavy-ion collisions, we extend the three-flavor Nambu–Jona-Lasinio (NJL) transport model to include the contribution from the Polyakov loops. Imbedding the resulting pNJL partonic transport model in an extended multiphase transport (extended AMPT) model, we then study the elliptic flow splittings between particles and their antiparticles in relativistic heavy-ion collisions at beam energy scan energies. We find that a weak quark vector interaction in the partonic phase is able to describe the elliptic flow splitting between protons and antiprotons in heavy-ion collisions at √sNN=7.7 to 39 GeV. Knowledge of the quark vector interaction is useful for understanding the equation of state of quark matter at large baryon chemical potentials and thus the location of the critical point in the QCD phase diagram.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Nuclear Astrophysics through simulations of neutron star mergers using Monte‐Carlo neutrino radiation transport (DE-SC0020435 Final Technical Report)

Neutron star mergers are an important source of information for nuclear physics. Except for black holes, neutron stars are the densest macroscopic objects known to exist in the Universe. They provide us with a remarkable laboratory to study the poorly understood high-density states of matter, complementing the study of heavy nuclei performed by nuclear physics experiments on Earth. Collisions of neutron stars are of particular interest. They are among the most energetic events observable in the Universe, powering a broad range of signals across the electromagnetic spectrum as well as gravitational wave signals. These signals contain important information about the properties of extremely dense matter. Colliding neutron stars additionally eject large amounts of neutron-rich material into the surrounding interstellar medium -- material that then undergoes rapid neutron-capture (r-process) nucleosynthesis, the mechanism thought to be responsible for the production of about half of the heavy nuclei. In order to understand current and future observations of neutron star mergers, we need reliable models for the signals that they power. An important component in the construction of such models are numerical simulations of colliding neutron stars. These simulations are costly, running for multiple months on supercomputers, and require the inclusion of complex physics (general relativity, magnetohydrodynamics, neutrino physics, nuclear reactions). In this document, we describe the development of new methods for the treatment of neutrinos in merger simulations, as well as the first simulations capable of evolving the equations of neutrino radiation transport directly and their impact on our understanding of neutron star mergers and more broadly in nuclear astrophysics. We also discuss additional work performed in the study of nucleosynthesis and neutrino physics in neutron star mergers as part of Early Career Award DE-SC0020435.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

4.0 MOOSE: Enabling massively parallel Multiphysics simulation

Approaching 18 years of existence, MOOSE—the Multiphysics Object-Oriented Simulation Environment—is being developed at a higher pace than ever before. With significant support from four research institutions across the globe, and dozens of new contributors, the capabilities of the framework are being expanded to meet modeling challenges in a wide variety of fields from nuclear system design, to geomechanics, to material science. This includes new development in equation discretization techniques, solver methods, meshing capabilities, application deployment, and user interface improvements. Applications built on MOOSE benefit from all these improvements.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Special Nuclear Material Mass Estimates from Neutron Singles Count Rate [Poster]

The objective of this research was to create an algorithm to provide an estimate of special nuclear material (SNM) mass using only neutron count rate data from a Radioisotope Identification Device (RIID), rather than using time-correlated data from a neutron multiplicity counter. To meet this objective neutron count rate measurements of a 252 Cf source were taken at varying distances with an ORTEC Detective X, FLIR Identifinder 2, and an ORTEC RADEAGLET-R. An algorithm was created to estimate mass of SNM utilizing the singles rate equation and the measured absolute efficiency curves.

FLIR↗
DOE OSTI2021

Three-state harmonic models for photoinduced charge transfer

A widely used strategy for simulating the charge transfer between donor and acceptor electronic states in an all-atom anharmonic condensedphase system is based on invoking linear response theory to describe the system in terms of an effective spin-boson model Hamiltonian. Extending this strategy to photoinduced charge transfer processes requires also taking into consideration the ground electronic state in addition to the excited donor and acceptor electronic states. In this paper, we revisit the problem of describing such nonequilibrium processes in terms of an effective three-state harmonic model. We do so within the framework of nonequilibrium Fermi’s golden rule (NE-FGR) in the context of photoinduced charge transfer in the carotenoid–porphyrin–C 60 (CPC 60 ) molecular triad dissolved in explicit tetrahydrofuran (THF). To this end, we consider different ways for obtaining a three-state harmonic model from the equilibrium autocorrelation functions of the donor–acceptor, donor–ground, and acceptor–ground energy gaps, as obtained from all-atom molecular dynamics simulations of the CPC 60 /THF system. The quantum-mechanically exact time-dependent NE-FGR rate coefficients for two different charge transfer processes in two different triad conformations are then calculated using the effective three-state model Hamiltonians as well as a hierarchy of more approximate expressions that lead to the instantaneous Marcus theory limit. Our results show that the photoinduced charge transfer in CPC 60 /THF can be described accurately by the effective harmonic three-state models and that nuclear quantum effects are small in this system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

First Penning trap mass measurement of 36 Ca

Background: Isobaric quintets provide the best test of the isobaric multiplet mass equation (IMME) and can uniquely identify higher order corrections suggestive of isospin symmetry breaking effects in the nuclear Hamilto nian. The Generalized IMME (GIMME) is a novel microscopic interaction theory that predicts an extension to the quadratic form of the IMME. Only the A = 20, 32 T = 2 quintets have the exotic T z = –2 member ground state mass determined to high-precision by Penning trap mass spectrometry. Purpose: To establish A = 36 as the third high-precision T = 2 isobaric quintet with the T z = –2 member ground state mass measured by Penning trap mass spectrometry and provide the first test of the predictive power of the GIMME. Method: Here, a radioactive beam of neutron-deficient 36 Ca was produced by projectile fragmentation at the National Superconducting Cyclotron Laboratory. The beam was thermalized and the mass of 36 Ca + and 36 Ca 2+ measured by the Time of Flight - Ion Cyclotron Resonance method in the LEBIT 9.4 T Penning trap. Results: We measure the mass excess of 36 Ca to be ME= –6483.6(56) keV, an improvement in precision by a factor of 6 over the literature value. The new datum is considered together with evaluated nuclear data on the A = 36, T = 2 quintet. We find agreement with the quadratic form of the IMME given by isospin symmetry, but only coarse qualitative agreement with predictions of the GIMME. Conclusion: A total of three isobaric quintets have their most exotic members measured by Penning trap mass spectrometry. The GIMME predictions in the T = 2 quintet appear to break down for A = 32 and greater.

20 ≤ A ≤ 38↗
NASA NTRS1969

An Analog Computer Study of the Low-Frequency Flow Dynamics of Two Nuclear-Rocket Cold-Flow Engine Systems

An analog computer study is made of the low-frequency flow dynamics observed with liquid hydrogen flowing in two different nuclear-rocket cold-flow (unfueled) engine systems. The prediction of the low-frequency response depends largely upon the generation of the proper mass-flow storage in the system. This is achieved by relating, in the model lumping, the average values of fluid enthalpy and a certain thermodynamic fluid property. A two-phase state equation is derived for thermodynamic equilibrium between the gas and liquid phases. Parametric studies are made which demonstrate the effect of the pump characteristics on the flow damping.

Fox, Harry W., Jr.↗
DOE OSTI2025

A Look Towards the Execution of the Low-Temperature TEX Experimental Campaign

To address the mounting need for below roomtemperature nuclear data validation, the Low-Temperature Thermal Epithermal eXperiments (LT-TEX) have been designed. Validation of low-temperature neutron cross sections is necessary to verify any operation at temperatures below room temperature which is typically observed in environments far from the equator. For example, a fissile material transportation truck may routinely observe ambient temperatures down to -40°C, which is the lower temperature bound of the normal conditions of transportation defined in the United States Title 10 Code of Federal Regulations §71.71c2. Additionally, sub-room temperature benchmarks can validate newly produced cross sections, that include novel thermal scattering laws, from North Carolina State University.

LT-TEX↗
NASA NTRS1989

Surface structure of neutron stars with high magnetic fields

The equation of state of cold dense matter in strong magnetic fields is calculated in the Thomas-Fermi and Thomas-Fermi-Dirac approximations. For use in the latter calculation, a new expression is derived for the exchange energy of the uniform electron gas in a strong magnetic field. Detailed calculations of the density profile in the surface region of a neutron star are described for a variety of equations of state, and these show that the surface density profile is strongly affected by the magnetic field, irrespective of whether or not matter in a magnetic field has a condensed state bound with respect to isolated atoms. It is also shown that, as a consequence of the field dependence of the screening potential, magnetic fields can significantly increase nuclear reaction rates.

Fushiki, I.↗
NASA NTRS2014

Vibrational Frequencies and Spectroscopic Constants for 1(sup 3)A' HNC and 1(sup 3)A' HOC+ from High-Accuracy Quartic Force Fields

The spectroscopic constants and vibrational frequencies for the 1(sup 3)A' states of HNC, DNC, HOC+, and DOC+ are computed and discussed in this work. The reliable CcCR quartic force field based on high-level coupled cluster ab initio quantum chemical computations is exclusively utilized to provide the anharmonic potential. Then, second order vibrational perturbation theory and vibrational configuration interaction methods are employed to treat the nuclear Schroedinger equation. Second-order perturbation theory is also employed to provide spectroscopic data for all molecules examined. The relationship between these molecules and the corresponding 1(sup 3)A' HCN and HCO+ isomers is further developed here. These data are applicable to laboratory studies involving formation of HNC and HOC+ as well as astronomical observations of chemically active astrophysical environments.

Astrochemistry↗
DOE OSTI2022

Stability analysis of a one-dimensional multiphysics model of a molten salt fast reactor

Reactor designs with a fast neutron spectrum have recently moved into the research focus for possible Generation IV reactor concepts - a representative of which is the molten salt fast reactor (MSFR). In order to assess the safety and reliability of this reactor concept, it is necessary to obtain knowledge of the system behaviour. An important part of this research concerns the dynamical stability of the MSFR. Research regarding the MSFR stability so far has either been using linearized models for stability criteria or only been examining certain transients at fixed parameter values. This work delivers a comprehensive stability analysis for a non-linearized MSFR model, and a wide range of values for all relevant parameters. For this purpose, a one-dimensional MSFR model was set up, taking neutron kinetics and thermal hydraulics in the form of a system of differential equations into account. The stability of this model was investigated by means of the numerical tool MATCONT, which was used to monitor the evolution of a so-called fixed-point solution, here referring to the steady state at operating conditions of the system, while system parameters got varied. The MATCONT analyses showed no loss of stability for any of the considered parameter variations and no solutions that might co-exist in parallel with the steady-state fixed-point solution. Therefore these results indicate a stable fixed point to which all solution transients converge, making the considered MSFR model insusceptible to deviations from the equilibrium. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Multiscale modeling for high burnup structure formation and associated pulverization

This report summarizes the lower length scale modeling work performed in the fiscal year 2023 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstrutural evolution and associated pulverization criteria in the high burnup regions. This year, the resolution mechanisms within the cluster dynamics code has been updated and it influence on the bubble growth in HBS regions at the mesoscale is studied. To improve the accuracy of phase-field models of fission gas bubble growth, a new Helmholtz free energy for high-density Xe gas is derived from a virial equation of state. Two previously used strategies for representing net vacancy production in phase-field models of fission gas bubble growth are compared with each other and with analytical models of bubble growth. The vacancy source only model is found to be more convenient to parameterize realistically compared with the vacancy source+sink model. Furthermore, the phase-field-fracture simulation have been performed using MD- informed failure stress values and realistic HBS structure obtained from the phase-field simulations. We also present the uncertainty bands on prediction of the critical stress to account for the effect of the lower length scale variabilities on the failure criteria at the mesoscale. It is observed that pulverization may occur in partially restructured regions with restructuring fraction as low as 17%. In light of this, an update to the BISON’s pulverization criteria is recommended.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Real-time dynamics of the Schwinger model as an open quantum system with Neural Density Operators

Ab-initio simulations of multiple heavy quarks propagating in a Quark-Gluon Plasma are computationally difficult to perform due to the large dimension of the space of density matrices. This work develops machine learning algorithms to overcome this difficulty by approximating exact quantum states with neural network parametrisations, specifically Neural Density Operators. As a proof of principle demonstration in a QCD-like theory, the approach is applied to solve the Lindblad master equation in the 1 + 1d lattice Schwinger Model as an open quantum system. Neural Density Operators enable the study of in-medium dynamics on large lattice volumes, where multiple-string interactions and their effects on string-breaking and recombination phenomena can be studied. Thermal properties of the system at equilibrium can also be probed with these methods by variationally constructing the steady state of the Lindblad master equation. Scaling of this approach with system size is studied, and numerical demonstrations on up to 32 spatial lattice sites and with up to 3 interacting strings are performed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗