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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 OSTI2026

Relativistic Exact Two-Component Theory in the Generalized Pseudospectral Representation

We present a formulation and implementation of exact two-component (X2C) relativistic theory in the generalized pseudospectral representation. When combined with the Hartree-Fock-Slater framework, this approach enables efficient and accurate treatments of scalar-relativistic and spin-orbit effects in atomic electronic structures without the computational overhead of four-component methods. Benchmark calculations across light and heavy elements demonstrate that the our X2C scheme yields substantially more accurate relativistic corrections to core-electron binding energies than perturbational Breit-Pauli treatments while converging more rapidly with respect to basis size. The method provides an improved computational framework for modeling ultrafast x-ray-induced processes in heavy-element systems.

Wang, Xubo↗
DOE OSTI2022

Nuclear charge radii of Na isotopes: Interplay of atomic and nuclear theory

The accuracy of atomic theory calculations limits the extraction of nuclear charge radii from isotope shift measurements of odd-proton nuclei. For Na isotopes, though precise spectroscopic measurements have existed for more than half a century, calculations by different methods offer a wide range of values. Here, we present accurate atomic calculations to reliably extract the Na charge radii. By combining experimental matter radii with nuclear coupled-cluster calculations based on nucleon-nucleon and three-nucleon forces, we constrain the parameters obtained from the atomic calculations. Furthermore, this study guides atomic theory and highlights the importance of using accurate atomic and nuclear computations in our understanding of the size of light nuclei.

20 ≤ A ≤ 38↗
DOE OSTI2024

Constraints on Covariant Dark-Matter–Nucleon Effective Field Theory Interactions from the First Science Run of the LUX-ZEPLIN Experiment

The LUX-ZEPLIN (LZ) experiment is a dual-phase xenon time project chamber operating in the Sanford Underground Research Facility in South Dakota, USA. We report on the results of a relativistic extension to the nonrelativistic effective field theory (NREFT) from a 5.5 t fiducial mass and 60 live days of exposure. We present constraints on couplings from covariant interactions arising from the coupling of vector, axial currents, and electric dipole moments of the nucleon to the magnetic and electric dipole moments of the weakly interacting massive particle which cannot be described by recasting previous results described by an NREFT. Using a profile-likelihood ratio analysis, in an energy region between 0 keV nr to 270 keV nr , we report 90% confidence level exclusion limits on the coupling strength of five interactions in both the isoscalar and isovector bases. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Limits on non-relativistic matter during Big-bang nucleosynthesis

Big-bang nucleosynthesis (BBN) probes the cosmic mass-energy density at temperatures ~10 MeV to ~100 keV. Here, we consider the effect of a cosmic matter-like species that is non-relativistic and pressureless during BBN. Such a component must decay; doing so during BBN can alter the baryon-to-photon ratio, η, and the effective number of neutrino species. We use light element abundances and the cosmic microwave background (CMB) constraints on η and N ν to place constraints on such a matter component. We find that electromagnetic decays heat the photons relative to neutrinos, and thus dilute the effective number of relativistic species to N eff < 3 for the case of three Standard Model neutrino species. Intriguingly, likelihood results based on Planck CMB data alone find N ν = 2.800 ± 0.294, and when combined with standard BBN and the observations of D and 4 He give N ν = 2.898 ± 0.141. While both results are consistent with the Standard Model, we find that a nonzero abundance of electromagnetically decaying matter gives a better fit to these results. Our best-fit results are for a matter species that decays entirely electromagnetically with a lifetime τ X = 0.89 sec and pre-decay density that is a fraction ξ = (ρ X /ρ rad |10 MeV = 0.0026 of the radiation energy density at 10 MeV; similarly good fits are found over a range where ξτ X 1/2 is constant. On the other hand, decaying matter often spoils the BBN+CMB concordance, and we present limits in the (τ X ,ξ) plane for both electromagnetic and invisible decays. For dark (invisible) decays, standard BBN (i.e. ξ = 0) supplies the best fit. We end with a brief discussion of the impact of future measurements including CMB-S4.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Observation of the Electromagnetic Field Effect via Charge-Dependent Directed Flow in Heavy-Ion Collisions at the Relativistic Heavy Ion Collider

The deconfined quark-gluon plasma (QGP) created in relativistic heavy-ion collisions enables the exploration of the fundamental properties of matter under extreme conditions. Noncentral collisions can produce strong magnetic fields on the order of 10 18 G , which offers a probe into the electrical conductivity of the QGP. In particular, quarks and antiquarks carry opposite charges and receive contrary electromagnetic forces that alter their momenta. This phenomenon can be manifested in the collective motion of final-state particles, specifically in the rapidity-odd directed flow, denoted as v 1 ( y ) . Here, we present the charge-dependent measurements of d v 1 / d y near midrapidities for π ± , K ± , and p ( p ¯ ) in Au + Au and isobar ( Ru 44 96 + Ru 44 96 and Zr 40 96 + Zr 40 96 ) collisions at s NN = 200 GeV , and in Au + Au collisions at 27 GeV, recorded by the STAR detector at the Relativistic Heavy Ion Collider. The combined dependence of the v 1 signal on collision system, particle species, and collision centrality can be qualitatively and semiquantitatively understood as several effects on constituent quarks. While the results in central events can be explained by the u and d quarks transported from initial-state nuclei, those in peripheral events reveal the impacts of the electromagnetic field on the QGP. Our data put valuable constraints on the electrical conductivity of the QGP in theoretical calculations. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory

Herein we present three schemes to go beyond the electric-dipole approximation in x-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is based on the full semi-classical light–matter interaction operator and the two others on a truncated interaction within the Coulomb gauge (velocity representation) and multipolar gauge (length representation). We generalize the derivation of the multipolar gauge to an arbitrary expansion point and show that the potentials corresponding to different expansion points are related by a gauge transformation, provided that the expansion is not truncated. This suggests that the observed gauge-origin dependence in the multipolar gauge is more than just a finite-basis set effect. The simplicity of the relativistic formalism enables arbitrary-order implementations of the truncated interactions, with and without rotational averaging, allowing us to test their convergence behavior numerically by comparison to the full formulation. We confirm the observation that the oscillator strength of the electric-dipole allowed ligand K -edge transition of TiCl 4 , when calculated to the second order in the wave vector, becomes negative but also show that inclusion of higher-order contributions allows convergence to the result obtained using the full light–matter interaction. However, at higher energies, the slow convergence of such expansions becomes dramatic and renders such approaches at best impractical. When going beyond the electric-dipole approximation, we therefore recommend the use of the full light–matter interaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Performance of an atomic mean-field spin–orbit approach within exact two-component theory for perturbative treatment of spin–orbit coupling

The paper reports development of an atomic mean-field (AMF) spin–orbit approach within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e), a new relativistic quantum-chemical method for treating spin-orbit coupling in molecules. The effective one-electron spin–orbit integral matrix in the four-component representation is assembled as a direct sum of one-centre spin–orbit integral matrices with the mean-field two-electron contributions evaluated using atomic SFX2C-1e Hartree–Fock density matrices. It is then transformed into two-component representation using analytic SFX2C-1e energy derivative formulation. The resulting two-component spin–orbit integral matrix is by design suitable for use in perturbative calculations of spin–orbit coupling, treating SFX2C-1e wavefunctions as unperturbed states. The accuracy of the present AMF approach has been demonstrated using benchmark calculations of spin–orbit splittings for representative diatomic radicals at the equation-of-motion coupled-cluster singles and doubles level. In conclusion, to demonstrate the applicability and accuracy of the present perturbative spin–orbit scheme in calculations of challenging heavy-element containing systems, a thorough computational investigation of six low-lying electronic states of ThO+ is reported.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Discovery of a Candidate Binary Supermassive Black Hole in a Periodic Quasar from Circumbinary Accretion Variability

Binary supermassive black holes (BSBHs) are expected to be a generic byproduct from hierarchical galaxy formation. The final coalescence of BSBHs is thought to be the loudest gravitational wave (GW) siren, yet no confirmed BSBH is known in the GW-dominated regime. While periodic quasars have been proposed as BSBH candidates, the physical origin of the periodicity has been largely uncertain. Here we report discovery of a periodicity (P=1607±7 days) at 99.95% significance (with a global p-value of ~10 –3 accounting for the look elsewhere effect) in the optical light curves of a redshift 1.53 quasar, SDSS J025214.67–002813.7. Combining archival Sloan Digital Sky Survey data with new, sensitive imaging from the Dark Energy Survey, the total ~20-yr time baseline spans ~4.6 cycles of the observed 4.4-yr (restframe 1.7-yr) periodicity. The light curves are best fit by a bursty model predicted by hydrodynamic simulations of circumbinary accretion disks. The periodicity is likely caused by accretion rate modulation by a milli-parsec BSBH emitting GWs, dynamically coupled to the circumbinary accretion disk. A bursty hydrodynamic variability model is statistically preferred over a smooth, sinusoidal model expected from relativistic Doppler boost, a kinematic effect proposed for PG1302–102. Furthermore, the frequency dependence of the variability amplitudes disfavors Doppler boost, lending independent support to the circumbinary accretion variability hypothesis. Given our detection rate of one BSBH candidate from circumbinary accretion variability out of 625 quasars, it suggests that future large, sensitive synoptic surveys such as the Vera C. Rubin Observatory Legacy Survey of Space and Time may be able to detect hundreds to thousands of candidate BSBHs from circumbinary accretion with direct implications for Laser Interferometer Space Antenna.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The Effect of Inverse Compton Losses on Particle Acceleration in Three-dimensional Relativistic Reconnection

Relativistic magnetic reconnection is a key mechanism for dissipating magnetic energy and accelerating particles in astrophysics. In the absence of radiative cooling, recent particle-in-cell (PIC) simulations have shown that high-energy particles gain most of their energy in the upstream region, during a short-lived “free phase” where they meander between the two sides of the layer; when they get captured/trapped by the downstream flux ropes, they undergo a “trapped phase,” where no significant energization occurs. Here, we perform a suite of 3D PIC simulations of relativistic reconnection, including inverse Compton (IC) losses in the weakly cooled regime in which the radiation-reaction-limited Lorentz factor γrad exceeds the magnetization σ. We show that electron cooling losses do not appreciably alter the reconnection rate, the structure of the layer, and the physics of particle acceleration in the free phase, so the spectrum of free electrons is dN free /dγ ∝ γ −1 , as in the uncooled case. The spectrum of trapped electrons above the cooling break γcool (in the range γ cool < γ < γ rad ) is dN/dγ ∝ γ −3 , steeper than the scaling dN/dγ ∝ γ −2 of uncooled simulations. This confirms that no significant particle energization occurs during the trapped phase. Our results validate the model by Zhang et al. for particle acceleration in 3D relativistic reconnection, and imply that radiative emission models of reconnection-powered astrophysical sources should employ a two-zone structure that differentiates between free, rapidly accelerating particles and trapped, passively cooling particles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The effect of inverse Compton losses on particle acceleration in three-dimensional relativistic reconnection

Relativistic magnetic reconnection is a key mechanism for dissipating magnetic energy and accelerating particles in astrophysics. In the absence of radiative cooling, recent particle-in-cell (PIC) simulations have shown that high-energy particles gain most of their energy in the upstream region, during a short-lived "free phase" where they meander between the two sides of the layer; when they get captured/trapped by the downstream flux ropes, they undergo a "trapped phase", where no significant energization occurs. Here, we perform a suite of 3D PIC simulations of relativistic reconnection including inverse Compton (IC) losses in the weakly cooled regime in which the radiation-reaction-limited Lorentz factor $γ_{\rm rad}$ exceeds the magnetization $σ$. We show that electron cooling losses do not appreciably alter the reconnection rate, the structure of the layer, and the physics of particle acceleration in the free phase, so the spectrum of free electrons is $dN_{\rm free}/dγ\propto γ^{-1}$, as in the uncooled case. The spectrum of trapped electrons above the cooling break $γ_{\rm cool}$ (in the range $γ_{\rm cool}<γ<γ_{\rm rad}$) is $dN/dγ\propto γ^{-3}$, steeper than the scaling $dN/dγ\propto γ^{-2}$ of uncooled simulations. This confirms that no significant particle energization occurs during the trapped phase. Our results validate the model by arXiv:2302.12269 for particle acceleration in 3D relativistic reconnection, and imply that radiative emission models of reconnection-powered astrophysical sources should employ a two-zone structure, that differentiates between free, rapidly accelerating particles and trapped, passively cooling particles.

FOS: Physical sciences↗
DOE OSTI2023

Mass of a weakly measured photon

Bohmian mechanics has garnered significant attention as an interpretation of quantum theory since the paradigmatic experiments which inferred the average trajectories of photons in the nonrelativistic regime. These experiments were largely motivated by Wiseman's formulation of Bohmian mechanics, which grounded these trajectories in weak measurements. Recently, Wiseman's framework was extended to the relativistic regime by expressing the velocity field of single photons in terms of weak values of the photon energy and momentum. Here, we propose an operational, weak value-based definition for the Bohmian “local mass” of relativistic single particles. For relativistic wave functions satisfying the scalar Klein-Gordon equation, this mass coincides with the effective mass defined by de Broglie in his relativistic pilot-wave theory, a quantity closely connected with the quantum potential that is responsible for Bohmian trajectory self-bending and the anomalous photoelectric effect. Here, we demonstrate the relationship between the photon trajectories and the mass in an interferometric setup.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Effects of finite material size on axion-magnon conversion

Magnetic materials are particularly favorable targets for detecting axions interacting with electrons because the collective excitation of electron spins, the magnon, can be excited through the axion-magnon conversion process. It is often assumed that only the zero-momentum uniformly precessing magnetostatic (Kittel) mode of the magnon is excited. This is justified if the de Broglie wavelength of the axion is much longer than the size of the target magnetic material. However, if the de Broglie wavelength is shorter, finite-momentum magnon modes can also be excited. We systematically analyze the target material size dependence of the axion-magnon conversion rate. We discuss the importance of these effects in the detection of relativistic axions as well as in the detection of axion dark matter of relatively heavy mass with large material size.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Probing energetic light dark matter with multi-particle tracks signatures at DUNE

The search for relativistic scattering signals of cosmogenic light dark matter at terrestrial detectors has received increasing attention as an alternative approach to probe dark-sector physics. Large-volume neutrino experiments are well motivated for searches of dark matter that interacts very weakly with Standard Model particles and/or that exhibits a small incoming flux. We perform a dedicated signal sensitivity study for a detector similar to the one proposed by the DUNE Collaboration for cosmogenic dark-matter signals resulting from a non-minimal multi-particle dark-sector scenario. The liquid argon time projection chamber technology adopted for the DUNE detectors is particularly suited for searching for complicated signatures owing to good measurement resolution and particle identification, as well as dE/dx measurements to recognize merged tracks. Taking inelastic boosted dark matter as our benchmark scenario that allows for multiple visible particles in the final state, we demonstrate that the DUNE far detectors have a great potential for probing scattering signals induced by relativistic light dark matter. Detector effects and backgrounds have been estimated and taken into account. Model-dependent and model-independent expected sensitivity limits for a DUNE-like detector are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Implicit-explicit Runge-Kutta for radiation hydrodynamics I: Gray diffusion

Radiation hydrodynamics are a challenging multiscale and multiphysics set of equations. To capture the relevant physics of interest, one typically must time step on the hydrodynamics timescale, making explicit integration the obvious choice. On the other hand, the coupled radiation equations have a scaling such that implicit integration is effectively necessary in non-relativistic regimes. A first-order Lie-Trotter-like operator split is the most common time integration scheme used in practice, alternating between an explicit hydrodynamics step and an implicit radiation solve and energy deposition step. However, such a scheme is limited to first-order accuracy, and nonlinear coupling between the radiation and hydrodynamics equations makes a more general additive partitioning of the equations non-trivial. Here, we develop a new formulation and partitioning of radiation hydrodynamics with gray diffusion that allows us to apply (linearly) implicit-explicit Runge-Kutta time integration schemes. In conclusion, we prove conservation of total energy in the new framework, and demonstrate 2nd-order convergence in time on multiple radiative shock problems, achieving error 3–5 orders of magnitude smaller than the first-order Lie-Trotter operator split at the hydrodynamic CFL, even when Lie-Trotter applies a 3rd-order TVD Runge-Kutta scheme to the hydrodynamics equations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

O-Mode Instability for Non-Thermal Continuum Radiation Generated Near the Plasmapause

Analysis of the ordinary mode (O-mode) instability is performed to comprehend the nonthermal continuum (NTC) radiation near the plasmapause, taking into account the relativistic wave-electron resonance effect. The energy source is the anisotropy in the velocity of the minority suprathermal electron population. Numerical solutions demonstrate that the O-mode can be unstable with multiple narrow frequency bands located close to harmonics of the electron cyclotron frequency above the local electron plasma frequency. These waves have narrow beaming angle bands of nearly 90° relative to the ambient magnetic field. Our findings indicate that NTC radiation generated by this wave-electron resonance instability near the plasmapause can propagate nearer to the magnetic equator with multiple harmonics, which is in agreement with a recent statistical study using Van Allen Probes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Neutron stars with exceptionally light QCD axions

We present a comprehensive study of axion condensed neutron stars that arise in models of an exceptionally light axion that couples to quantum chromodynamics (QCD). These axions solve the strong-charge-parity (𝐶⁢𝑃) problem, but have a mass-squared lighter than that due to QCD by a factor of 𝜖 < 1. Inside dense matter, the axion potential is altered, and much of the matter in neutron stars resides in the axion condensed phase where the strong-𝐶⁢𝑃 parameter 𝜃 = 𝜋 and 𝐶⁢𝑃 remains a good symmetry. In these regions, masses and interactions of nucleons are modified, in turn changing the equation of state (EOS), structure, and phenomenology of the neutron stars. We take the first steps toward the study of the EOS of neutron star matter at 𝜃 = 𝜋 within chiral effective field theory and use relativistic mean field theory to deduce the resulting changes to nuclear matter and the neutron star low-density EOS. We derive constraints on the exceptionally light axion parameter space based on observations of the thermal relaxation of accreting neutron stars, isolated neutron star cooling, and pulsar glitches, excluding the region up to 5 ×10 −7 ≲ 𝜖 ≲ 0.2 for 𝑚 𝑎 ≳ 2 × 10 −9 eV. We comment on potential changes to the neutron star mass-radius relationship, and discuss the possibility of novel, nuclear-density compact objects with 𝜃 = 𝜋 that are stabilized not by gravity but by the axion potential.

axions↗
DOE OSTI2025

Novel phenomena in transition-metal oxide thin films and heterostructures with strong correlations and spin-orbit coupling

Transition-metal oxides have been a central subject of condensed matter physics for decades. In addition to novel electronic states driven by the influence of strong correlation, relativistic spin-orbit coupling effects have recently attracted much attention for their potential to explore topological phenomena. Here, in this article, we review various experimental and theoretical studies on transition-metal oxides with focus on thin films and heterostructures where their physics is much influenced by correlation effects and spin-orbit coupling. The combination of the heterostructure geometry together with correlation and topology leads to a variety of novel states here reviewed. We also discuss perspectives for future research in this broad promising area.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Light and Airy: A Simple Solution for Relativistic Quantum Acceleration Radiation

We study the quantum radiation of particle production by vacuum from an ultra-relativistic moving mirror (dynamical Casimir effect) solution that allows (possibly for the first time) analytically calculable time evolution of particle creation and an Airy particle spectral distribution. The reality of the beta Bogoliubov coefficients is responsible for the simplicity, and the mirror is asymptotically inertial at the speed of light, with finite energy production. We also discuss general relations regarding negative energy flux, the transformation to the 1-D Schrödinger equation, and the incompleteness of entanglement entropy.

79 ASTRONOMY AND ASTROPHYSICS↗