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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Turbulence Modeling with Nek5000/RS, SOD2D and Alya

We present Validation and Verification (V & V) study of two high-order spectral element method (SEM) based Computational Fluid Dyanimcs (CFD) codes that we will utilize for work on turbulence modeling: Nek5000 and SOD2D. While the former solves the incompressible form of Navier-Stokes equation, the latter works with compressible set of equations and uses an entropy-viscosity formulation to account for the discontinuities for high Mach number flows. We demonstrate the accuracy of these codes for two benchmark sub-sonic turbulent flows: periodic channel and pipe flow, by carrying out first and second order statistical analysis, grid convergence and turbulent structure analysis using wall-resolved large eddy simulations (WRLES). Later, we report on the implementation and testing of various wall-modeling strategies for large eddy simulation of turbulent flows in Nek5000. These include both classical log-law based and decision-tree based machine-learning models. Accuracy of these closure strategies are analyzed and necessary future work is outlined.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Processing and Analytics System for Microscopy Data Workflows: The Pycroscopy Ecosystem of Packages

Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopy techniques. Despite the considerable proliferation of these instruments, significant bottlenecks remain in terms of processing, analysis, storage, and retrieval of the acquired datasets. Aside from lack of file standards, individual domain-specific analysis packages are often disjoint from the underlying datasets, and thus keeping track of analysis and processing steps remains tedious for the end-user, hampering reproducibility. Here, in this study, the pycroscopy ecosystem of packages is introduced, an open-source python-based ecosystem underpinned by a common data model. The data model, termed the N-dimensional spectral imaging data format, is realized in pycroscopy's sidpy package. This package is built on top of dask arrays, thus leveraging dask array attributes, but expanding them to accelerate microscopy relevant analysis and visualization. Several examples of the use of the pycroscopy ecosystem to create workflows for data ingestion and analysis of scanning transmission electron microscopy (STEM) and scanning probe microscopy data are shown. Adoption of such standardized routines will be critical to usher in the next generation of autonomous instruments where processing, computation, and meta-data storage will be critical to overall experimental operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The miniJPAS survey: AGN and host galaxy coevolution of X-ray-selected sources

Studies indicate strong evidence of a scaling relation in the local Universe between the supermassive black hole mass (MBH) and the stellar mass of their host galaxies (M * ). They even show similar histories across cosmic times of their differential terms: the star formation rate (SFR) and black hole accretion rate (BHAR). However, a clear picture of this coevolution is far from being understood. We selected an X-ray sample of active galactic nuclei (AGN) up to z = 2.5 in the miniJPAS footprint. Their X-ray to infrared spectral energy distributions (SEDs) have been modeled with the CIGALE code, constraining the emission to 68 bands, from which 54 are the narrow filters from the miniJPAS survey. For a final sample of 308 galaxies, we derived their physical properties, such as their M * , SFR, star formation history (SFH), and the luminosity produced by the accretion process of the central BH (L AGN ). For a subsample of 113 sources, we also fit their optical spectra to obtain the gas velocity dispersion from the broad emission lines and estimated the M BH . We calculated the BHAR in physical units depending on two radiative efficiency regimes. We find that the Eddington ratios (λ Edd ) and its popular proxy (L X /M * ) have a difference of 0.6 dex, on average, and a KS test indicates that they come from different distributions. Our sources exhibit a considerable scatter on the MBH - M * scaling relation, which can explain the difference between λ Edd and its proxy. We also modeled three evolution scenarios for each source to recover the integral properties at z = 0. Using the SFR and BHAR, we show a notable diminution in the scattering between MBH - M * . For the last scenario, we considered the SFH and a simple energy budget for the AGN accretion, and we retrieved a relation similar to the calibrations known for the local Universe. Our study covers ~1 deg 2 in the sky and is sensitive to biases in luminosity. Nevertheless, we show that, for bright sources, the link between the differential values (SFR and BHAR) and their decoupling based on an energy limit is the key that leads to the local M BH - M * scaling relation. In the future, we plan to extend this methodology to a thousand degrees of the sky using JPAS with an X-ray selection from eROSITA, to obtain an unbiased distribution of BHAR and Eddington ratios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Understanding how minority relativistic electron populations may dominate charge state balance and radiative cooling of a post-thermal quench tokamak plasma

Minority relativistic electron populations can occur in a range of complex plasmas. Of specific interest is when runaway electrons form among the presence of high-atomic-number ion species in a tokamak plasma discharge. It has been recently demonstrated that ion charge state distributions and radiation losses at low bulk electron temperatures can be dominated by relativistic electrons, even though their density is orders of magnitude lower. Furthermore, this was attributed to the relativistic enhancement of electron impact inelastic cross sections. In this work, we provide a closer inspection of the atomic physics underpinning this effect. We also demonstrate the consequences of runaway enhanced scattering on post-disruption tokamak fusion discharges with neon and argon impurities present. Effects on charge state distributions, radiation and spectral characteristics, and reduced-order modeling considerations are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Helium droplet infrared spectroscopy of the butyl radicals

Butyl radicals (n-, s-, i-, and tert-butyl) are formed from the pyrolysis of stable precursors (1-pentyl nitrite, 2-methyl-1-butyl nitrite, isopentyl nitrite, and azo-tert-butane, respectively). The radicals are doped into a beam of liquid helium droplets and probed with infrared action spectroscopy from 2700 to 3125 cm -1 , allowing for a low temperature measurement of the CH stretching region. The presence of anharmonic resonance polyads in the 2800–3000 cm -1 region complicates its interpretation. To facilitate spectral assignment, the anharmonic resonances are modeled with two model Hamiltonian approaches that explicitly couple CH stretch fundamentals to HCH bend overtones and combinations: a VPT2+K normal mode model based on coupled-cluster with single, double, and perturbative triple excitations [CCSD(T)] quartic force fields and a semi-empirical local mode model. Both of these computational methods provide generally good agreement with the experimental spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multi-modality deep learning for pulse prediction in homogeneous nonlinear systems via parametric conversion

In this Letter, we introduce FusionNet, a multi-modality deep learning framework designed to predict and analyze output pulses in high-power rare-earth-doped laser systems driving parametric conversion in homogeneous guided nonlinear media. FusionNet integrates temporal, spectral, and physical experimental conditions to model ultrafast nonlinear phenomena, including parametric nonlinear frequency conversion, self-phase modulation, and cross-phase modulation in homogeneous guided systems such as gas-filled hollow-core fibers. These systems bridge physical models with experimental data, advancing our understanding of light-guiding principles and nonlinear interactions while expediting the design and optimization of on-demand high-power, high-brightness systems. Our results demonstrate a 73% reduction in prediction error and an 83% improvement in computational efficiency compared to conventional neural networks. This work establishes a new paradigm for accelerating parametric simulations and optimizing experimental designs in high-power laser systems, with further implications for high-precision spectroscopy, quantum information science, and distributed entangled interconnects.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Measuring stellar populations, dust attenuation and ionized gas at kpc scales in 10010 nearby galaxies using the integral field spectroscopy from MaNGA

As one of the three major experiments of the fourth-generation Sloan Digital Sky Survey (SDSS-IV), the Mapping Nearby Galaxies at Apatch Point Observatory (MaNGA) survey has obtained high-quality integral field spectroscopy (IFS) with a resolution of 1–2 kpc for ∼ 10 4 galaxies in the local universe during its six-year operation from July 2014 through August 2020. It is crucial to reliably measure the physical properties of the different components in each spectrum before one can use the data for any scientific study. In the past years we have made lots of efforts to develop a novel technique of full spectral fitting, which estimates a model-independent dust attenuation curve from each spectrum, thus allowing us to break the degeneracy between dust attenuation and stellar population properties when fitting the spectrum with stellar population synthesis models. We have applied our technique to the final data release of MaNGA, and obtained measurements of stellar population properties and emission line parameters, as well as the kinematics and dust attenuation of both stellar and ionized gas components. In this paper we describe our technique and the content and format of our data products. The whole dataset is publicly available in Science Data Bank with the link https://doi.org/10.57760/sciencedb.j00113.00088 .

Physics↗
DOE OSTI2022

X-ray emission of the radio-loud quasar SDSS J121426.52+140258.9: independent variations between optical/UV and X-ray emission

To understand the X-ray emission of active galactic nuclei (AGNs), we explored the optical-to-X-ray variation correlation of a radio-loud quasar (RLQ) SDSS J121426.52+140258.9 (hereafter J1214+1402) with multi-epoch observations by the Swift and XMM–Newton telescopes. With the historical multiband data, we found that the infrared-to-X-ray flux of RLQ J1214+1402 should not be dominated by the beamed-jet emission. The Swift optical/UV and X-ray light curves showed that J1214+1402 has two optical states, with low flux before 2014 April 8 and high flux after 2014 June 11, but has no significant X-ray variations during the time range between 2007 March 9 and 2014 August 4. This result was supported by the XMM–Newton observations in the time overlapping with Swift. Interestingly, the early XMM–Newton data prior to the Swift time present two unusual emission epochs when J1214+1402 has relatively low optical fluxes but has the brightest X-ray fluxes. The overall independence of optical-to-X-ray variation seems hard to describe by the disc–corona model. With the X-ray spectral fitting, we find that the soft X-ray excess in J1214+1402 appears only during the high optical state when the X-ray emission is at a low state. The soft X-ray excess in J1214+1402 is difficult to explain by an ionized accretion disc; instead, it may be related to the warm corona.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Toward a classification of PT-symmetric quantum systems: From dissipative dynamics to topology and wormholes

Studies of many-body non-Hermitian parity-time (PT)-symmetric quantum systems are attracting a lot of interest due to their relevance in research areas ranging from quantum optics and continuously monitored dynamics to Euclidean wormholes in quantum gravity and dissipative quantum chaos. While a symmetry classification of non-Hermitian systems leads to 38 universality classes, we show that, under certain conditions, PT-symmetric systems are grouped into 24 universality classes. We identify 14 of them in a coupled two-site Sachdev-Ye-Kitaev (SYK) model and confirm the classification by spectral analysis using exact diagonalization techniques. Intriguingly, in 4 of these 14 universality classes, AIII ν , BDI ν † , BDI + + ν , and CI − − ν , we identify a basis in which the SYK Hamiltonian has a block structure in which some blocks are rectangular, with ν ∈ N the difference between the number of rows and columns. We show analytically that this feature leads to the existence of ν robust purely eigenvalues, whose level statistics follow the predictions of Hermitian random matrix theory for classes A, AI, BDI, and CI, respectively. We have recently found that this ν is a topological invariant, so these classes are topological. By contrast, nontopological real eigenvalues display a crossover between Hermitian and non-Hermitian level statistics. Similarly to the case of Lindbladian dynamics, the reduction of universality classes leads to unexpected results, such as the absence of Kramers degeneracy in a given sector of the theory. Another novel feature of the classification scheme is that different sectors of the PT-symmetric Hamiltonian may have different symmetries. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Nonperturbative random matrix model of N = 2 JT supergravity

It is shown how to nonperturbatively define a random matrix model that captures key physics of N = 2 Jackiw-Teitelboim supergravity, going well beyond the perturbative topological expansion defined recently by Turiaci and Witten. A decomposition into an infinite family of certain multicritical models is derived, leading to the definition of a nonlinear ordinary differential equation from which the physics may be computed. Bogomol’nyi-Prasad-Sommerfield (BPS) states are naturally described by the model. The nonperturbative completions of the spectral densities for non-BPS multiplets are readily extracted. Published by the American Physical Society 2024

Johnson, Clifford V. (ORCID:0000000189645830)↗
DOE OSTI2024

Dark Photon Limits from Patchy Dark Screening of the Cosmic Microwave Background

Dark photons that kinetically mix with the Standard Model photon give rise to new spectral anisotropies (patchy dark screening) in the cosmic microwave background (CMB) due to conversion of photons to dark photons within large-scale structure. We utilize predictions for this patchy dark screening signal to provide the tightest constraints to date on the dark photon kinetic mixing parameter [ ϵ ≲ 4.5 × 10 − 8 (95% confidence level)] over the mass range 10 − 13 eV ≲ m A ′ ≲ 10 − 11 eV , almost an order of magnitude stronger than previous limits, by applying state-of-the-art component separation techniques to the cross-correlation of CMB and unWISE galaxy survey data. Published by the American Physical Society 2024

McCarthy, Fiona (ORCID:0000000253893565)↗
DOE OSTI2020

Filtered Backprojection in Compton Imaging using a Spherical Harmonic Wiener Filter with Pixelated CdZnTe

Filtered backprojection is an image reconstruction technique for Compton imaging that provides reasonably high resolution at much lower computational costs when compared to iterative methods. Here, this work applies a Wiener filter that has been derived for spherical harmonics on Compton imaging using the OrionUM pixelated CdZnTe imaging-spectrometer. To regularize the filter, an investigation is made into the power spectral density of the signal and noise to develop an appropriate spectral signal-to-noise ratio model for the restoration process. Experimental measurements were conducted with two 228Th sources placed 30° apart. The resulting filtered image of the two sources have an average full-width-at-half-maximum (FWHM) of 9.8° or 7.5° when using a mean squared error and structural similarity optimization approach respectively; an improvement from the 29.0° FWHM image when using simple backprojection.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

2021 Summer SPE Project

SPE is a project in order to develop new, more physics-based, seismic models of explosions (see Nelson et al. 2013). One key component of this effort is numerical modeling enabled by modern state-of-art code/software. Accurate modeling of the shape and amplitude of seismic waves from their generation to their propagation to remote monitoring seismic stations is important to our ability to determine the origin and strength of the source from remote recording. In this project, the modeling is performed by coupling two codes HOSS and SPECFEM3D. HOSS models the dynamic nonlinear processes happening near the explosion. SPECFEM3D computes the propagation of seismic waves as they travel through 3D complex Earth models. SPECFEM3D was modified in order to be driven by a set of time-series calculated by HOSS in lieu of a seismic source. The goal of this summer project is the investigation of several questions pertinent to the establishment of a full end-to-end modeling capability from the high-rate strain regime area to remote distances where seismic station record seismic waves generated by explosions. The investigated questions are: (1) How to perform proper filtering? Direct-solution modeling only sustains a limited range of frequency depending on the grid size. As we go from one modeling domain to the other via coupling, the mesh size is getting coarser to allow modeling at large scale but also to account for the fact that high-frequency waves do not physically travel to large distances. So filtering of the time-series generated by the near-field hydrodynamic modeling is a current practice often employed but its effects on the modeled waveforms has to be investigated. (2) Quantitative assessment of the efficiency of attenuation to remove high-frequency content of the wavefield. This assessment will allow to create meshes with a grid size appropriate to the actual physics of wave propagation for a given explosion. (3) Checking that the coupling process and the two codes respect the cylindrical symmetry that is expected in the case of a pure explosion in a half-space. (4) The effect of the state-of-stress in the near-source area on the modeled seismic waveforms. These questions will be investigated through the modeling of SPE-4P, the fourth explosion of this series because it was designed to have little interaction with the geologic surrounding and the free surface of the Earth so that it is the most explosion-like experiment, with the most symmetries to be verified.

58 GEOSCIENCES↗
DOE OSTI2024

High-Order Hybrid RANS-LES Study of NACA0012 Wing Sections

We develop hybrid RANS-LES strategies within Nek5000 for application to airfoil sections at small flight configurations. We present a validation and verification study of $k \space – \space \tau$ SST applied to a NACA 0012 wing section in a pure RANS and in a hybrid RANS-LES setup. The study shows good corroboration with existing experimental and numerical datasets. We also analyze some of the observed discrepancies with the experiments by evaluating the side wall “blocking” effect. We demonstrate that for the hybrid turbulence modeling approach a high-order spectral- element discretization converges faster (i.e., with less resolution) than a representative low-order finite-volume-based approach.

42 ENGINEERING↗
DOE OSTI2024

Portable Soft X-Ray Diagnostics for Transformative Fusion-Energy Concepts (Final Scientific/Technical Report)

A time-gated extreme-ultraviolet spectrometer was fielded on a transformative fusion-energy device, FuZE-Q at Zap Energy, Inc. (ZEI), a sheared-flow-stabilized z-pinch. Plasma emission spectra were collected in the 5–40 nm wavelength (30–250 eV) range. This was the first time a direct-vacuum-coupled, high-voltage, deposition-sensitive diagnostic was fielded on this type of dense-plasma fusion device. To overcome the special challenges of such a coupling, a unique, highly effective implementation was developed, with fast (10-ns risetime) pulsed high-voltage electronics and a multi-stage differential pumping system. This enabled the UNR spectrometer to collect three independently timed spectra per FuZE-Q shot while also protecting sensitive internal components. Analysis of line emission identified oxygen (N-, C-, B-, Be-, Li-, and He-like O), peaking in intensity shortly after maximum current (>500 kA). Spectral databases and collisional-radiative modeling have been used to identify impurities and estimate edge-plasma temperatures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Time-dependent phenomena in correlated materials

Understanding time-dependent processes and light-matter interaction in strongly correlated materials, and the interplay between electronic, orbital, vibrational, and spin degrees of freedom, is a cornerstone of condensed matter. These mechanisms can be proven by measuring the response of the systems to time-dependent perturbations. The corresponding time scales are dictated by the way light couples to the different excitations, and how these excitations exchange energy and momentum. Our research advances our understanding of these processes, and the interpretation of different equilibrium and time-resolved spectroscopies. Our project encompasses two main themes: (i) developing and refining computational techniques to study non-equilibrium spectroscopies including non-perturbative effects and (ii) applications to non-equilibrium phenomena. We have developed a new computational approach that works directly in the time domain: by including all the degrees of freedom involved in the scattering process (e.g. electrons, photons, neutrons), we solve the time dependent problem: a faithful numerical simulation of the experiment. By measuring the energy and momentum of the outgoing particles, we can extract information about the energy and momentum absorbed by the system. Prior to our work, people attempting to model and calculate non-equilibrium spectral functions relied on a description of the scattering cross section based on a formulation in the frequency domain, a treatment that is extremely cumbersome and complex. Our technique works in and out of equilibrium and can reproduce spectra by several spectroscopic techniques, such as time-resolved photoemission, neutron scattering, Raman, X-ray spectroscopies (RIXS, Auger, XAS, XMCD), and, by not relying on analytical approximations, yields results that reveal novel overlooked transient mechanisms. These tools provide sorely needed intuition for understanding the phenomenology of strongly correlated materials and will help experimentalists in identifying signatures of relevant excitations in pump-probe experiments, such as those conducted in DOE supported facilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗