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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Beyond the two-point correlation: Constraining primordial non-Gaussianity with density-perturbation moments

Constraining primordial non-Gaussianity (PNG) on the large-scale cosmic structure (LSS) is an important step in understanding properties of the early Universe, specifically in distinguishing between different inflationary models. Measuring PNG relies on evaluating the scale-dependent correlations in the density field. New summary statistics beyond the two- and three-point correlation functions in configuration space and their Fourier-space counterparts, the power- and bispectrum may provide increased sensitivity. We introduce a new method for extracting the PNG signal imprinted on the LSS by using the first three Gaussian moments of the normalized correlation in density perturbations, evaluated on varying distance scales. We aim to assess this method’s sensitivity to local PNG, parameterized by f NL . We performed spherical convolutions on a range of scales on dark-matter-halo simulations to measure the scale-dependent correlations in the density field. From these, we computed the first three moments and compared them to a model expectation vector, parameterized to the second power in f NL . Our method provides about 21% improvement in sensitivity to f NL with respect to using the two-point correlation function alone. Notably, we find that the second moment alone carries nearly as much constraining power as the mean, highlighting the potential of higher order statistics. Given its simplicity and efficiency, this framework is well suited for application to current and upcoming large-scale surveys such as the Dark Energy Spectroscopic Instrument (DESI).

early universe↗
DOE OSTI2025

Unified nonparametric equation-of-state inference from the neutron-star crust to perturbative-QCD densities

Perturbative quantum chromodynamics (pQCD), while valid only at densities exceeding those found in the cores of neutron stars, could provide constraints on the dense-matter equation of state (EOS). Here, in this work, we examine the impact of pQCD information on the inference of the EOS using a nonparametric framework based on Gaussian processes (GPs). We examine the application of pQCD constraints through a ``pQCD likelihood,'' and verify the findings of previous works; namely, a softening of the EOS at the central densities of the most massive neutron stars and a reduction in the maximum neutron-star mass. Although the pQCD likelihood can be easily integrated into existing EOS inference frameworks, this approach requires an arbitrary selection of the density at which the constraints are applied. The EOS behavior is also treated differently on either side of the chosen density. To mitigate these issues, we extend the EOS model to higher densities, thereby constructing a ``unified'' description of the EOS from the neutron-star crust to densities relevant for pQCD. In this approach the pQCD constraints effectively become part of the prior. Since the EOS is unconstrained by any calculation or data between the densities applicable to neutron stars and pQCD, we argue for maximum modeling flexibility in that regime. We compare the unified EOS with the traditional pQCD likelihood, and although we confirm the EOS softening, we do not see a reduction in the maximum neutron-star mass or any impact on macroscopic observables. Though residual model dependence cannot be ruled out, we find that pQCD suggests the speed of sound in the densest neutron-star cores has already started decreasing toward the asymptotic limit; we find that the speed of sound squared at the center of the most massive neutron star has an upper bound of $\sim 0.5$ at the 90% level.

equations of state of nuclear matter↗
DOE OSTI2022

Computational Protocol to Evaluate Electron–Phonon Interactions Within Density Matrix Perturbation Theory

We present a computational protocol, based on density matrix perturbation theory, to obtain non-adiabatic, frequency-dependent electron–phonon self-energies for molecules and solids. Our approach enables the evaluation of electron–phonon interaction using hybrid functionals, for spin-polarized systems, and the computational overhead to include dynamical and non-adiabatic terms in the evaluation of electron–phonon self-energies is negligible. We discuss results for molecules, as well as pristine and defective solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Polymorphism and phase transitions in Na 2 U 2 O 7 from density functional perturbation theory

Polymorphism and phase transitions in sodium diuranate, Na 2 U 2 O 7 , are investigated with density functional perturbation theory (DFPT). Thermal properties of crystalline α-, β- and γ-Na 2 U 2 O 7 polymorphs are predicted from DFPT phonon calculations, i.e., the first time for the high-temperature γ-Na 2 U 2 O 7 phase (R$\bar{3}$ with combining macron]m symmetry). The standard molar isochoric heat capacities predicted within the quasi-harmonic approximation are C p (298.15K)= 219.4 and 220.9 J K -1 mol -1 mfor P21/a α-Na 2 U 2 O 7 and C2/m β-Na 2 U 2 O 7 , respectively. Gibbs free energy calculations reveal that α-Na 2 U 2 O 7 (P2 1 /a) and β-Na 2 U 2 O 7 (C2/m) are almost energetically degenerate at low temperature, with β-Na 2 U 2 O 7 becoming slightly more stable than α-Na 2 U 2 O 7 as temperature increases. Here these findings are consistent with XRD data showing a mixture of α and β phases after cooling of γ-Na 2 U 2 O 7 to room temperature and the observation of a sluggish α → β phase transition above ca. 600 K. A recently observed α-Na 2 U 2 O 7 structure with P21 symmetry is also shown to be metastable at low temperature. Based on Gibbs free energy, no direct β → γ solid-solid phase transition is predicted at high temperature, although some experiments reported the existence of such phase transition around 1348 K. This, along with recent experiments, suggests the occurrence of a multi-step process consisting of initial β-phase decomposition, followed by recrystallization into γ-phase as temperature increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Excitation of long electrostatic solitary waves in ion beam neutralization process

Unusually long electrostatic solitary waves (ESWs) are discovered in a particle-in-cell simulation study of the process of ion beam neutralization by electron emission from a filament. These ESWs are long because the density perturbation responses to the potential wells created by the ESWs are very small. Notably, the density perturbation is small because the trapped (positive) and untrapped (negative) electron density perturbations nearly compensate each other because of a non-Maxwellian electron velocity distribution in the beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation Theory

We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn–Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In particular, we employ a cubic-scaling formalism based on density functional perturbation theory that circumvents the calculation of the response function matrix, instead relying on the ability to compute its product with a vector through the solution of the associated Sternheimer linear systems. We develop a large-scale parallel implementation of this formalism using the subspace iteration method in conjunction with the spectral quadrature method while employing the Kronecker product-based method for the application of the Coulomb operator and the conjugate orthogonal conjugate gradient method for the solution of the linear systems. We demonstrate convergence with respect to key parameters and verify the method’s accuracy by comparing with plane-wave results. We show that the framework achieves good strong scaling to many thousands of processors, reducing the time to solution for a lithium hydride system with 128 electrons to around 150 s on 4608 processors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Second-harmonic generation tensors from high-throughput density-functional perturbation theory

Optical materials play a key role in enabling modern optoelectronic technologies in a wide variety of domains such as the medical or the energy sector. Among them, nonlinear optical crystals are of primary importance to achieve a broader range of electromagnetic waves in the devices. However, numerous and contradicting requirements significantly limit the discovery of new potential candidates, which, in turn, hinders the technological development. In the present work, the static nonlinear susceptibility and dielectric tensor are computed via density-functional perturbation theory for a set of 579 inorganic semiconductors. The computational methodology is discussed and the provided database is described with respect to both its data distribution and its format. Several comparisons with both experimental and ab initio results from literature allow to confirm the reliability of our data. The aim of this work is to provide a relevant dataset to foster the identification of promising nonlinear optical crystals in order to motivate their subsequent experimental investigation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Rotation of electrothermal-instability-driven overheating structure due to helically oriented surface magnetic field on a high-current-density aluminum rod

Experiments on the 1-MA, 100-ns-rise-time Mykonos Facility demonstrate rotation of electrothermal instability (ETI)-driven overheating structure on 1.00-mm-diameter, 10-nm-surface roughness, 99.999%-pure aluminum rods, which are pulsed with helically polarized surface magnetic field. Rods are machined to include pairs of 10-micron-scale quasi-hemispherical voids or “engineered defects (ED)” which provide the dominant current density perturbation from which ETI grows most rapidly. Experiments include an axial magnetic field component through the addition of a helically wound return-current electrode or “helical return can (HRC).” For a given HRC design, azimuthal field (B ɵ ) and axial field (B z ) components rise at a prescribed and fixed ratio, driving an increasing magnetic field of constant polarization at the rod's surface; most experiments generated surface magnetic field at a 15-degree field polarization angle (from horizontal) defined as ɸ B = arctan(B z /B ɵ ). ETI-driven emission patterns from individual ED are observed to rotate along ɸ B , while emission patterns from dielectric-coated ED pairs are shown to elongate and preferentially merge along ɸ B , in qualitative agreement with 3D-magnetohydrodynamic simulations. These data strongly support that for a randomized distribution of current density perturbations on a high-current density conductor, nearby perturbations will favorably merge about ɸ B , with the degree of merging increasing with current. Such observations offer fundamental new understanding of the seeding mechanisms of the helical magneto-Rayleigh Taylor (MRT) instabilities observed from axially magnetized magnetically driven imploding liners.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

On anomalous transport of multi-species plasma associated with the resistive ballooning and resistive drift waves driven turbulence

Anomalous transport of multi-species plasma related to the resistive ballooning and resistive drift wave turbulence is considered in a “cold” ion approximation. It is found that similar to the resistive drift wave turbulence [see A. R. Knyazev and S. I. Krasheninnikov, Phys. Plasmas 31, 012502 (2024); and S. I. Krasheninnikov and R. D. Smirnov, Phys. Plasmas (to be published)] the addition of the ballooning drive does not change the main features of anomalous transport of the multi-species plasma: (i) The transport of all ion species is described as a transport of the passive scalars in the turbulent field of the electrostatic potential and electron density perturbation; (ii) the density of ion species with a larger ratio of the mass to charge has the tendency to the accumulation/depletion in the vortices of plasma flow; and (iii) the cross-field transport of all plasma species (including electrons and ions) is described by the same anomalous transport coefficient.

Physics↗
DOE OSTI2023

Radiative cooling effects on reverse shocks formed by magnetized supersonic plasma flows

We study the structure of reverse shocks formed by the collision of supersonic, magnetized plasma flows driven by an inverse (or exploding) wire array with a planar conducting obstacle. We observe that the structure of these reverse shocks varies dramatically with wire material, despite the similar upstream flow velocities and mass densities. For aluminum wire arrays, the shock is sharp and well-defined, consistent with magneto-hydrodynamic theory. In contrast, we do not observe a well-defined shock using tungsten wires, and instead we see a broad region dominated by density fluctuations on a wide range of spatial scales. We diagnose these two very different interactions using interferometry, Thomson scattering, shadowgraphy, and a newly developed imaging refractometer that is sensitive to small deflections of the probing laser corresponding to small-scale density perturbations. We conclude that the differences in shock structure are most likely due to radiative cooling instabilities, which create small-scale density perturbations elongated along magnetic field lines in the tungsten plasma. These instabilities grow more slowly and are smoothed by thermal conduction in the aluminum plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

ITER Toroidal Interferometer and Polarimeter (TIP) beam refraction in 3D density profiles

Calculations of the expected refraction of the five ITER Toroidal Interferometer and Polarimeter (TIP) chords are presented for a range of conditions including high-density axisymmetric, ELMing H-mode cases and shattered pellet disruption mitigation cases. The calculations are carried out with a newly developed ray tracing code capable of following TIP’s 10.59 μm laser beams through arbitrary 3D electron density profiles. Using JOREK simulations of ELM density perturbations in a 15MA ITER baseline plasma, it is shown that refraction from ELMs is expected to be negligible. It is found, however, that TIP interferometers will be able to clearly resolve the line-integrated density perturbation from ELMs and contribute to the ITER measurement requirement “14. H-mode, ELMs and L-H mode transition indicator”. Calculations of the expected refraction in a NIMROD simulated shattered pellet disruption mitigation scenario with peak local electron densities of n e = 3.7 x 10 21 m -3 (max line-averaged densities of n avg = 1.3 x 10 21 m -3 ) also show tolerable refraction and it is likely that most, if not all chords, would avoid signal loss. In conclusion, for both axisymmetric and structured plasmas with line-averaged densities in the mid to upper 10 21 m -3 range, values likely present only during disruption mitigation, refraction becomes significant and could limit the ability of TIP to make reliable density measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Analysis of an induced Langmuir wave by ponderomotive forces and its applicability for plasma diagnostics

We present a numerical study on the electron and ion density perturbation in low-temperature plasmas driven by the frequency detuning of two intense laser beams. Our study is performed in the hydrodynamic regime, which becomes applicable when the plasma grating period induced by the beating of the laser beams is greater than the Debye length and collective processes such as plasma oscillations can be excited. Our findings show a resonance in electron density perturbation as the frequency detuning approaches a value consistent with the Bohm–Gross dispersion relation in low- and high-pressure plasmas. We discuss the potential of this resonance as a diagnostic tool for precisely measuring electron temperature and density in low-temperature plasmas through coherent scattering.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

High-field side scrape-off layer density profile measurements and implications for high-field side LHCD coupling in DIII-D

The high-field side (HFS) scrape-off layer (SOL) is an often under-diagnosed region of tokamak plasmas. Situated in a region with favorable curvature, the HFS SOL has minimal turbulence-induced radial transport compared to the low-field side. Using profile reflectometry, the HFS SOL density profile is measured with high temporal resolution for a wide range of DIII-D plasma discharges for the first time. The magnetic configuration, particularly the location of the secondary separatrix (SS) largely determines the HFS SOL density profile. Additionally, density perturbations induced by edge-localized modes (ELMs) are observed in the HFS SOL, and the impact of ELMs on the SOL density profile is characterized for a range of magnetic configurations. It is found that ELM-induced HFS SOL perturbations are generally localized to within the SS and ELM-induced changes to the HFS wall density are minimized in near double-null configurations. The characterization of the HFS SOL density profile on DIII-D is crucial for the effective coupling of the planned HFS lower hybrid current drive (LHCD) launcher. Experimental HFS SOL measurements are used as input to full-wave simulations of LHCD coupling. Furthermore, this work simulates the effect of the magnetic configuration on LHCD coupling. It also simulates LHCD coupling in ELMs and high q min discharges. During such discharges, the LHCD coupling is predicted to be resilient to ELM-induced SOL density perturbations.

high-field side↗
DOE OSTI2025

PIAFS: A 2D nonlinear hydrodynamics code to model gaseous optics

The survivability of final optics is expected to be a major challenge for all future inertial fusion energy concepts. Due to their higher damage threshold, gaseous optics have been identified as a promising solution to this problem. Gaseous optics can be created through the photoabsorption of spatially modulated UV light, which induces various chemical processes that heat the gas. This heating leads to a pressure perturbation, which in turn launches a density perturbation that can imprint a refractive index modulation such as a grating. In this article, we introduce a parallel C/C++ code to simulate gaseous optics. PIAFS2D is a high-order conservative finite-difference code to solve the compressible Navier–Stokes equations along with the photochemical heating sources on Cartesian grids. The simulations are validated by the linear theory derived in a previous paper [Michel et al., Phys. Rev. Appl. 22, 024014 (2024)]. For larger perturbations, the behavior of the system—particularly the evolution of the generated acoustic wave—demonstrates strong nonlinearity. PIAFS2D allows the study of nonlinear behaviors and can be used for the design of high-efficiency gaseous optics elements in realistic experimental conditions.

Oudin, A. [Lawrence Livermore National Laboratory ↗
DOE OSTI2026

First constraints on causal sources of primordial gravitational waves from BICEP/Keck, SPTpol, SPT-3G, Planck and WMAP $B$-mode data

Non-inflationary sources of gravitational waves in the early Universe generically predict causality-limited tensor power spectra at low frequencies. We report the first-ever constraints on such sources based on cosmic microwave background (CMB) $B$-mode polarization measurements. Using data from BICEP/Keck, SPTpol, SPT-3G, Planck, and WMAP, we constrain the amplitude of an early causal tensor (ECT) power spectrum parameterized by $r_{ect}$, the ratio of causal tensor power to total scalar power at $k~=~0.01$ Mpc$^{-1}$, and obtain a 95% CL upper limit of $r_{ect}<$ 0.0077. Since $r_{ect}$ can easily be related to the parameters of a given theory, our bound robustly constrains a broad class of well-motivated gravitational wave sources in the early universe, including first-order cosmological phase transitions, enhanced small-scale density perturbations, and various topological defects. Finally, we translate our limit into a bound on the present-day energy density in gravitational waves at ultra-low frequencies otherwise inaccessible to traditional gravitational wave detection strategies, including pulsar timing arrays, interferometers, and resonant cavities.

Zebrowski, Jessica A. [Fermilab; Chicago U., KICP]↗
DOE OSTI2025

Axion Perturbations: A General Analytical Treatment

Cosmological data provides us two key constraints on dark matter (DM): it must have a particular abundance, and it must have an adiabatic spectrum of density perturbations in the early universe. Many different cosmological scenarios have been proposed that establish the abundance of axion DM in qualitatively different ways. In this paper we emphasize that, despite this variety of backgrounds, the perturbations in axion DM can be understood from universal principles. How does a feebly interacting axion field acquire perturbations proportional to those of photons? How do the isocurvature power spectrum and non-Gaussianity depend on the background evolution of the universe? We answer these questions for a completely general choice of cosmological background and temperature-dependent axion potential. We show that the most general solution to the axion field equation on super-horizon scales is entirely determined by the family of background solutions for different initial field values . This holds for both the component in the field perturbation solution contributing to the DM isocurvature perturbation (enhanced at late times by the sensitivity of the DM abundance to the initial condition, , which can be large for initial conditions near the hilltop), and the other component that contributes to the DM curvature perturbation. In particular, we explain that an unperturbed axion field in the early universe evolving into one with nontrivial adiabatic perturbations is guaranteed by Weinberg's theorem on adiabatic modes. These results have been derived before with various assumptions, such as a radiation dominated background or a quadratic potential. Our aim is to give a clear, simple derivation that is manifestly independent of those assumptions, and thus can be applied to any cosmological axion scenario.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗
DOE OSTI2025

Evolution of the electrothermal instability from thick rod z pinches subject to dynamically and statically applied axial magnetic field

LDRD Project 229427 aimed to determine how electrothermal instability (ETI) driven heating on a z-pinch rod pulsed with intense current evolves under mixed magnetic field (azimuthal + axial) conditions, which is pertinent to pulsed-power-driven magnetically-insulated transmission lines and physics targets. Experiments focused on diagnosing ETI-driven heating from deliberately-machined and well-characterized micron-scale surface defects (referred to as engineered defects or ED). Prior to the start of this project, understanding of how unmagnetized (B z =0) ED evolve had been obtained—simulations largely reproduce the experimentally observed high temperature spots which develop at the poles of bare/uncoated ED. Project 229427 extended the Mykonos Facility ED experimental platform to include axial field. In the first class of experiments, axial field was provided “dynamically” via a helical return can (HRC). In this case, B z and B θ rise at the same rate. Generally, the HRC generated magnetic field at a fixed polarization angle Φ B =arctan(B z /B θ )=15° on the rod's surface. In the second class of experiments, axial field was provided “statically” via a slow-rising (millisecond) external Helmholtz coil pair. In this case, B z was effectively constant/static throughout the 100 ns rise of the Mykonos current. For either case, a primary goal was to determine whether ETI provides a helical seed perturbation for the subsequent growth of the helical magneto Rayleigh-Taylor modes observed in MagLIF (static B z ) and dynamic screw pinch (DSP, dynamic B z ) experiments. When dynamic field was applied using an HRC, emissions from individual ED aligned toward Φ B , while emissions from ED within pairs elongated and preferentially merged along Φ B . These data strongly support that for a randomized defect distribution, heating from nearby current-density perturbations will favorably merge about Φ B to generate an extended seed perturbation that aligns toward the surface-field polarization, and this may impact the orientation of subsequent MRT growth on imploding liners. The results from the static field experiments were largely inconclusive, as any ETI heating rotation, if present, was obscured/overwhelmed by local/random heating from ED rim imperfections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

SST-TG-P1F4R3200: Decaying Stably-Stratified Turbulence (SST), Initialized Using Taylor-Green Vortices (TG) at Prandtl Number Pr=1, Froude Number Fr=4, Reynolds Number Re=3200

This dataset comprises direct numerical simulations (DNS) of decaying stably-stratified turbulence influenced by a linear background density gradient, initialized using an array of Taylor-Green vortices, as described in [Riley & de Bruyn Kops (2003)](https://doi.org/10.1063/1.1578077). The initial Prandtl, Froude, and Reynolds numbers are (Pr, Fr, Re) = (1, 4, 3200). A total of 15,000 snapshots are recorded at uniform time intervals, each with a spatial resolution of 512x512x256 grid points. Four flow variables are associated with each snapshot: the three velocity components (u,v,w) and the perturbed density field (rho) away from the background gradient. All fields are stored in binary format (32-bit little-endian), each with a size of 255 MB, yielding a total dataset size of 15.3 TB. Further details are referenced in the attached README file, and a current list of publications and associated analysis tools are provided at https://stratified-turbulence.github.io/web/.

42 ENGINEERING↗