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Results for “modeling K lines”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Effects of Field Line Curvature (FLC) Scattering on Ring Current Dynamics and Isotropic Boundary

Abstract In the ring current dynamics, various loss mechanisms contribute to the ring current decay, including losses to the upper atmosphere through particle precipitation. This study implements the field line curvature (FLC) scattering mechanism in a kinetic ring current model and investigates its role in precipitating ions into the ionosphere during the 17 March 2013 storm. Simulation results indicate that (1) the FLC scattering process exerts on energetic ions on the nightside where the magnetospheric configuration is more stretching. It is more effective on heavy ions (e.g., O + ). These ion losses thereafter lead to a faster recovery of the ring current. (2) The FLC‐associated ion precipitation mainly occurs in the outer region (L > 5 for protons and L > 4.5 for oxygen ions) on the nightside. The O + precipitation takes places in a wider region than protons although its intensity is much lower. Comparisons with POES observations suggest that more proton precipitation is needed in the inner region. This is probably caused by the less stretched configuration in the simulation that prevents more precipitation. It may also imply that other loss process is required in the model such as wave‐particle interactions. (3) The storm time precipitating proton flux of tens of keV due to the FLC scattering sometimes becomes comparable to that of electrons on the nightside, although electrons usually dominate the ionospheric energy deposition from the midnight eastward toward the dayside. (4) The FLC scattering process seems to be capable of explaining the formation of isotropic boundary in the ionosphere during the investigated event.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Study of Stark broadening of krypton helium-$\beta$ lines and estimation of electron density and temperature in NIF compressed capsules

Here the National Ignition Facility (NIF) diagnostic instrument manipulator (DIM) - based high resolution (dHIRES) x-ray spectrometer was used to measure the time evolution of the electron density (n e ) and temperature (T e ) in the hot spot of four NIF compressed capsules with 25 ps time resolution during the 'stagnation' phase. The electron density was inferred by comparing the measured Stark broadening of the krypton (Kr) Heβ spectral complex with theoretical calculations that include ion dynamic effects, and the electron temperature was inferred by comparing the measured ratio of the intensity of a dielectronically excited Li-like Kr line to the intensity of the Kr Heβ resonance line with calculations using the spectroscopic collisional radiative atomic model (SCRAM) and CRETIN collisional-radiative models. The inferred, time averaged n e values mainly agree with n e values from neutron diagnostics within uncertainties, but the neutron time-of-flight values of T ion are consistently higher than dHIRES T e values by 200–700 eV. The dHIRES measurements and measurement techniques, method of uncertainty analysis, and discussion of comparisons with measurements from neutron diagnostics are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

SUGAR: An improved empirical model of Type Ia supernovae based on spectral features

Type Ia supernovae (SNe Ia) are widely used to measure the expansion of the Universe. Improving distance measurements of SNe Ia is one technique to better constrain the acceleration of expansion and determine its physical nature. This document develops a new SNe Ia spectral energy distribution (SED) model, called the SUpernova Generator And Reconstructor (SUGAR), which improves the spectral description of SNe Ia, and consequently could improve the distance measurements. This model was constructed from SNe Ia spectral properties and spectrophotometric data from the Nearby Supernova Factory collaboration. In a first step, a principal component analysis-like method was used on spectral features measured at maximum light, which allowed us to extract the intrinsic properties of SNe Ia. Next, the intrinsic properties were used to extract the average extinction curve. Third, an interpolation using Gaussian processes facilitated using data taken at different epochs during the lifetime of an SN Ia and then projecting the data on a fixed time grid. Finally, the three steps were combined to build the SED model as a function of time and wavelength. This is the SUGAR model. Results. The main advancement in SUGAR is the addition of two additional parameters to characterize SNe Ia variability. The first is tied to the properties of SNe Ia ejecta velocity and the second correlates with their calcium lines. The addition of these parameters, as well as the high quality of the Nearby Supernova Factory data, makes SUGAR an accurate and efficient model for describing the spectra of normal SNe Ia as they brighten and fade. The performance of this model makes it an excellent SED model for experiments like the Zwicky Transient Facility, the Large Synoptic Survey Telescope, or the Wide Field Infrared Survey Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing this vision requires both providing detailed uncertainty quantification (model prediction errors and domain of applicability) and making models readily usable. At present, it is common practice in the community to assess ML model performance only in terms of prediction accuracy (e.g. mean absolute error), while neglecting detailed uncertainty quantification and robust model accessibility and usability. Here, we demonstrate a practical method for realizing both uncertainty and accessibility features with a large set of models. We develop random forest ML models for 33 materials properties spanning an array of data sources (computational and experimental) and property types (electrical, mechanical, thermodynamic, etc). All models have calibrated ensemble error bars to quantify prediction uncertainty and domain of applicability guidance enabled by kernel-density-estimate-based feature distance measures. All data and models are publicly hosted on the Garden-AI infrastructure, which provides an easy-to-use, persistent interface for model dissemination that permits models to be invoked with only a few lines of Python code. We demonstrate the power of this approach by using our models to conduct a fully ML-based materials discovery exercise to search for new stable, highly active perovskite oxide catalyst materials.

domain of applicability↗
DOE OSTI2024

Precise Measurement of the e + e − → D s + D s − Cross Section at Center-of-Mass Energies from Threshold to 4.95 GeV

Using the e + e − collision data collected with the BESIII detector operating at the BEPCII collider, at center-of-mass energies from the threshold to 4.95 GeV, we present precise measurements of the cross section for the process e + e − → D s + D s − using a single-tag method. The resulting cross section line shape exhibits several new structures, thereby offering an input for a future coupled-channel analysis and model tests, which are critical to understand vector charmonium-like states with masses between 4 and 5 GeV. Published by the American Physical Society 2024

Ablikim, M.↗
DOE OSTI2024

FEFF analysis of americium oxides

The Am N 4,5 (4d 3/2 and 4d 5/2 ) and Am O 4,5 (5d 3/2 and 5d 5/2 ) x-ray absorption spectroscopy (XAS) of americium sesquioxide (Am 2 O 3 ) and americium dioxide (AmO 2 ) has been evaluated with FEFF, a Green's function–based, multiple scattering code. Taking guidance from the intermediate coupling model (ICM), applicable to local and nonmagnetized samples, it is possible to completely reconstruct the experimental results for the N 4,5 spectra, including the observed differences between the Am 2 O 3 and the AmO 2 cases. Although complicated by a more asymmetric line shape and difficult background variations, the FEFF analysis confirms the absence of core hole angular momentum coupling in Am O 4,5 spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2021

ATOMIC Simulations and Experimental Data for CaCO3 Mixtures

This data consists of simulations and experimental measurements of laser-induced breakdown spectroscopy (LIBS). The simulations are produced by ATOMIC, a general purpose plasma modeling and kinetics code that has been designed to compute emission (or absorption) spectra from plasmas [1] and are used to develop a statistical characterization of matrix effects. Our overall suite of simulations includes contains several sets of simulations: training and validation sets of simulations for three and four element mixtures of calcium, carbon, oxygen, and nitrogen (included to account for atmosphere) along with simulations of the individual elements. The 4-element simulations include the mixture of all four elements mentioned and for each of the four individual elements. The 3-element simulations include output for the mixture of calcium, carbon, oxygen and for these three individual elements. The training data were produced using a 600-run design, shown in Figure 1, that varies input parameters temperature (T), electron density (Ne), and proportion of the elements calcium, carbon, oxygen, and nitrogen (Ca; C; O; N) for the 4 element output. The 3-element output includes all parameters except for the proportion of nitrogen. The element proportions (all the variables but T and Ne) sum to one and are unused in the single-element simulations. The validation data was produced with a 80-run design shown in Figure 2. The training and validation simulation outputs for the 4-element simulations for the mixture and for the single element calcium are shown as sample simulations in Figures 3 and 4 respectively. The simulations produce spectra over a range of 190nm - 950nm that roughly mimics the range collected by the SciAps Z-300 LIBS instrument that was used for the experimental data. The measured spectra for a CaCO3 (which may include contribution from Earth's atmosphere) in the experiment is shown in in Figure 5. All files are kept in directories whose names indicate the elemental composition (CaCO3, Ca, C, O, or N), number of elements (3 or 4), and purpose (training, which is not labeled in the file name, or validation) with file names numbered to indicate the line in the design files used to produce the simulation. The designs are provided as text files with names indicating their purpose. The experimental data is provided as a CSV file. [1] J Colgan, EJ Judge, DP Kilcrease, and JE Barefield II. Ab-initio modeling of an iron laser-induced plasma: Comparison between theoretical and experimental atomic emission spectra. Spectrochimica Acta Part B: Atomic Spectroscopy, 97:65{73}, 2014.

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

Determining Stellar Elemental Abundances from DESI Spectra with the Data-driven Payne

Abstract Stellar abundances for a large number of stars provide key information for the study of Galactic formation history. Large spectroscopic surveys such as the Dark Energy Spectroscopic Instrument (DESI) and LAMOST take median-to-low-resolution (R≲ 5000) spectra in the full optical wavelength range for millions of stars. However, the line-blending effect in these spectra causes great challenges for elemental abundance determination. Here we employDD-Payne, a data-driven method regularized by differential spectra from stellar physical models, to the DESI early data release spectra for stellar abundance determination. Our implementation delivers 15 labels, including effective temperatureT eff , surface gravity log g , microturbulence velocityv mic , and the abundances for 12 individual elements, namely C, N, O, Mg, Al, Si, Ca, Ti, Cr, Mn, Fe, and Ni. Given a spectral signal-to-noise ratio of 100 per pixel, the internal precisions of the label estimates are about 20 K forT eff , 0.05 dex for log g , and 0.05 dex for most elemental abundances. These results agree with the theoretical limits from the Crámer–Rao bound calculation within a factor of 2. The majority of the accreted halo stars contributed by the Gaia–Enceladus–Sausage are discernible from the disk and in situ halo populations in the resultant [Mg/Fe]–[Fe/H] and [Al/Fe]–[Fe/H] abundance spaces. We also provide distance and orbital parameters for the sample stars, which spread over a distance out to ∼100 kpc. The DESI sample has a significantly higher fraction of distant (or metal-poor) stars than the other existing spectroscopic surveys, making it a powerful data set for studying the Galactic outskirts. The catalog is publicly available.

Astronomy & Astrophysics↗
DOE OSTI2025

Suppressing the sample variance of DESI-like galaxy clustering with fast simulations

Ongoing and upcoming galaxy redshift surveys, such as the Dark Energy Spectroscopic Instrument (DESI) survey, will observe vast regions of sky and a wide range of redshifts. In order to model the observations and address various systematic uncertainties, N-body simulations are routinely adopted, however, the number of large simulations with sufficiently high mass resolution is usually limited by available computing time. Therefore, achieving a simulation volume with the effective statistical errors significantly smaller than those of the observations becomes prohibitively expensive. In this study, we apply the Convergence Acceleration by Regression and Pooling (CARPool) method to mitigate the sample variance of the DESI-like galaxy clustering in the AbacusSummit simulations, with the assistance of the quasi-N-body simulations FastPM. Based on the halo occupation distribution (HOD) models, we construct different FastPM galaxy catalogs, including the luminous red galaxies (LRGs), emission line galaxies (ELGs), and quasars, with their number densities and two-point clustering statistics well matched to those of AbacusSummit. We also employ the same initial conditions between AbacusSummit and FastPM to achieve high cross-correlation, as it is useful in effectively suppressing the variance. Our method of reducing noise in clustering is equivalent to performing a simulation with volume larger by a factor of 5 and 4 for LRGs and ELGs, respectively. We also mitigate the standard deviation of the LRG bispectrum with the triangular configurations k 2 = 2k 1 = 0.2 h Mpc -1 by a factor of 1.6. With smaller sample variance on galaxy clustering, we are able to constrain the baryon acoustic oscillations (BAO) scale parameters to higher precision. The CARPool method will be beneficial to better constrain the theoretical systematics of BAO, redshift space distortions (RSD) and primordial non-Gaussianity (NG).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Evidence that the Hot Jupiter WASP-77 A b Formed Beyond Its Parent Protoplanetary Disk’s H2O Ice Line

Idealized protoplanetary disk and giant planet formation models have been interpreted to suggest that a giant planet's atmospheric abundances can be used to infer its formation location in its parent protoplanetary disk. It has recently been reported that the hot Jupiter WASP-77 A b has subsolar atmospheric carbon and oxygen abundances with a solar C/O abundance ratio. Assuming solar carbon and oxygen abundances for its host star WASP-77 A, WASP-77 A b's atmospheric carbon and oxygen abundances possibly indicate that it accreted its envelope interior to its parent protoplanetary disk's H 2 O ice line from carbon-depleted gas with little subsequent planetesimal accretion or core erosion. We show that the photospheric abundances of carbon and oxygen in WASP-77 A are supersolar with a subsolar C/O abundance ratio, implying that WASP-77 A b's atmosphere has significantly substellar carbon and oxygen abundances with a superstellar C/O ratio. Our result possibly indicates that WASP-77 A b's envelope was accreted by the planet beyond its parent protoplanetary disk's H 2 O ice line. While numerous theoretical complications to these idealized models have now been identified, the possibility of nonsolar protoplanetary disk abundance ratios confound even the most sophisticated protoplanetary disk and giant planet formation models. We therefore argue that giant planet atmospheric abundance ratios can only be meaningfully interpreted relative to the possibly nonsolar mean compositions of their parent protoplanetary disks as recorded in the photospheric abundances of their dwarf host stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Planck 2018 results XII. Galactic astrophysics using polarized dust emission

Observations of the submillimetre emission from Galactic dust, in both total intensity I and polarization, have received tremendous interest thanks to the Planck full-sky maps. In this paper we make use of such full-sky maps of dust polarized emission produced from the third public release of Planck data. As the basis for expanding on astrophysical studies of the polarized thermal emission from Galactic dust, we present full-sky maps of the dust polarization fraction p, polarization angle ψ, and dispersion function of polarization angles S . The joint distribution (one-point statistics) of p and NH confirms that the mean and maximum polarization fractions decrease with increasing NH. The uncertainty on the maximum observed polarization fraction, pmax = 22.0 -1.4 +3.5% at 353 GHz and 80' resolution, is dominated by the uncertainty on the Galactic emission zero level in total intensity, in particular towards diffuse lines of sight at high Galactic latitudes. Furthermore, the inverse behaviour between p and S found earlier is seen to be present at high latitudes. This follows the S ∝ p -1 relationship expected from models of the polarized sky (including numerical simulations of magnetohydrodynamical turbulence) that include effects from only the topology of the turbulent magnetic field, but otherwise have uniform alignment and dust properties. Thus, the statistical properties of p, ψ, and S for the most part reflect the structure of the Galactic magnetic field. Nevertheless, we search for potential signatures of varying grain alignment and dust properties. First, we analyse the product map S × p, looking for residual trends. While the polarization fraction p decreases by a factor of 3-4 between NH = 10 20 cm -2 and NH = 2 x 10 22 cm -2 , out of the Galactic plane, this product S × p only decreases by about 25%. Because S is independent of the grain alignment efficiency, this demonstrates that the systematic decrease in p with N H is determined mostly by the magnetic-field structure and not by a drop in grain alignment. This systematic trend is observed both in the diffuse interstellar medium (ISM) and in molecular clouds of the Gould Belt. Second, we look for a dependence of polarization properties on the dust temperature, as we would expect from the radiative alignment torque (RAT) theory. We find no systematic trend of S × p with the dust temperature T d , whether in the diffuse ISM or in the molecular clouds of the Gould Belt. In the diffuse ISM, lines of sight with high polarization fraction p and low polarization angle dispersion S tend, on the contrary, to have colder dust than lines of sight with low p and high S . We also compare the Planck thermal dust polarization with starlight polarization data in the visible at high Galactic latitudes. The agreement in polarization angles is remarkable, and is consistent with what we expect from the noise and the observed dispersion of polarization angles in the visible on the scale of the Planck beam. The two polarization emission-to-extinction ratios, R P/p and R S/V , which primarily characterize dust optical properties, have only a weak dependence on the column density, and converge towards the values previously determined for translucent lines of sight. We also determine an upper limit for the polarization fraction in extinction, p V /E(B - V), of 13% at high Galactic latitude, compatible with the polarization fraction p ≈ 20% observed at 353 GHz. Taken together, these results provide strong constraints for models of Galactic dust in diffuse gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Preliminary design overview and performance assessment of the ITER low-field side reflectometer

The design of the ITER low-field side reflectometer (LFSR) has matured to a complete end-to-end preliminary design. LFSR will supply three key plasma measurements: (1) electron density profile, (2) electron density fluctuations, and (3) poloidal rotation. Simultaneous measurements of the three quantities are enabled by an array of six monostatic antennas which inject from an equatorial port on the outboard side of the ITER vessel. Low-loss transmission lines, consisting of corrugated, overmoded waveguide and miter bends, transmit the 30–165 GHz, O- and X-mode signals to and from the ITER plasma. Integrated transmission-line components serve a range of purposes, such as protection from high-power stray radiofrequency radiation, accommodation of transmission-line displacement, and simultaneous measurement of reference and plasma phases during the discharge. Broadband transmission signals are realized by full-band microwave transceivers combined with quasi-optical multiplexing. A field-programmable gate array (FPGA) processor demodulates the profile reflectometer signals, enabling real-time density profile measurements for plasma control system feedback. A full-scale transmission line test facility provides an integrated environment to assess the performance of critical LFSR components. Theoretical modeling together with insertion loss measurements provide the basis for a comprehensive power budget, which accounts for transmitted output power, transmission-line losses, antenna coupling, and plasma effects. Results indicate that high signal-to-noise ratios are achievable with the current design. A synthetic reflectometer model, using real design parameters and baseline ITER profiles, has been developed to estimate the return signal. With evolving microwave and data acquisition technologies, full-band, ultrafast sweeps (<1 μs) will be realizable for ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Ensemble methods for quantification of potassium oxide in ChemCam Mars and laboratory spectra

In this paper we test new approaches for predicting the amount of element oxides in rock samples from the ChemCam instrument suite onboard the NASA Curiosity rover by focusing on K 2 O. Using the expanded dataset compiled by Gasda et al. (2021) with and without the Earth to Mars (E2M and NoE2M) transformation discussed in Clegg et al. (2017) we trained blended submodels using the “double blending” technique and compared these to ensemble methods (Random Forest, ExtraTrees, and Gradient Boosting Regression). We found that ensemble methods performed similar to blended submodels when looking at RMSE-P on the laboratory spectra and provided significant advantages when looking at spectra coming from Mars. For the full model, blended submodels achieved an RMSE-P of 0.62 and 0.60 (E2M and NoE2M respectively) while Gradient Boosting Regression resulted in a slightly improved RMSE-P of 0.59 and 0.60. More importantly, by employing a local RMSE-P estimation technique where model performance is evaluated based on nearby test samples we found that using ensemble methods can lower the quantification limit for K 2 O from the current value of ≈0.6 wt% to ≈0.08 wt% using Extra Trees and Random Forest. This would allow for a much larger range of K 2 O values to be quantified on Mars with greater certainty given that most targets seen on Mars tend to have <1 wt% K2O. Finally, we used both Mean Decrease in Impurity (MDI) and permutation importance techniques to investigate the wavelengths used by the ensemble methods and found that they correspond to known potassium emission lines. This suggests that ensemble methods can provide an easier to train and improved alternative to blended submodels for predicting potassium compositions from Laser Induced Breakdown Spectroscopy (LIBS) data.

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

DESI complete calibration of the colour–redshift relation (DC3R2): results from early DESI data

We present initial results from the Dark Energy Spectroscopic Instrument (DESI) complete calibration of the colour–redshift relation (DC3R2) secondary target survey. Our analysis uses 230 k galaxies that overlap with KiDS-VIKING ugriZYJHK s photometry to calibrate the colour–redshift relation and to inform photometric redshift (photo-z) inference methods of future weak lensing surveys. Together with emission line galaxies (ELGs), luminous red galaxies (LRGs), and the Bright Galaxy Survey (BGS) that provide samples of complementary colour, the DC3R2 targets help DESI to span 56 percent of the colour space visible to Euclid and LSST with high confidence spectroscopic redshifts. The effects of spectroscopic completeness and quality are explored, as well as systematic uncertainties introduced with the use of common Self-Organizing Maps trained on different photometry than the analysis sample. We further examine the dependence of redshift on magnitude at fixed colour, important for the use of bright galaxy spectra to calibrate redshifts in a fainter photometric galaxy sample. We find that noise in the KiDS-VIKING photometry introduces a dominant, apparent magnitude dependence of redshift at fixed colour, which indicates a need for carefully chosen deep drilling fields, and survey simulation to model this effect for future weak lensing surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Application of On-Line Monitoring and Real-Time Characterization of Low Level Waste Samples from Hanford Tanks - 20380

Waste and treatment stream characterization is an essential part of safe, efficient, and cost-effective processing of Hanford materials. The demand for materials characterization, including chemical, radionuclide, and physical attributes during waste management, transfer, and staging operations in the Hanford tank farms, is expected to significantly increase as the U.S. Department of Energy Office of River Protection (ORP) progresses toward Hanford waste treatment and immobilization. The application of on-line monitoring can greatly improve operation time frames and reduce costs by providing real-time data and supporting the reduction of necessary grab sample collection. Recently, our team applied Raman online monitoring and chemometric modeling to the supernate of Hanford tank 241-AP-105, and demonstrated the quantitative measurement of nine analytes within this waste. Application of this method has been expanded to additional Hanford tank wastes, AW-102 and AP-107. The performance of the process monitoring instruments and the accuracy of the chemometric models will be assessed. On-line monitoring results will be compared to anion results determined from the current standard, ion-chromatographic and inductively coupled plasma mass spectrometry methods. Comparisons of both determined values and uncertainties of results will be presented. Results will be shared with personnel working on flowsheet interfaces for the Direct-Feed Low Activity Waste mission at Hanford. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Toward electron temperature profiles in hot-dense plasmas from x-ray spectral ensembles

High repetition rate laser systems enable new strategies for diagnosing plasma behavior with large datasets. Here, we define an ensemble technique that relies on randomized targeting of x-ray tracer micro-stripes. On each shot, a high-intensity laser pulse is focused on a solid target with Ti tracer stripes embedded in an Al foil, randomly targeting a micro-stripe, a portion of a stripe, or a gap between stripes. High-resolution, time-integrated x-ray spectrometers capture line emission from the portion of the micro-stripe that is heated to sufficiently high electron temperatures. Accumulation of many such cases is used to construct ensemble distributions of x-ray line intensities that encompass all relative offsets of the laser focus to the micro-stripe centers. Synthetic intensity distributions are likewise generated using collisional-radiative modeling. Bayesian fitting of modeled to measured intensity distributions establishes the most likely radial temperature profiles, enabling comparison to hydrodynamic models and calling into question the cylindrical symmetry of these micro-stripe-embedded systems. Ensemble techniques have significant potential for high-energy-density plasma diagnostics, especially with the advent of high repetition rate experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Spectral line identification from a photoionised silicon plasma in emission

Next-generation X-ray satellite telescopes such as XRISM, NewAthena and Lynx will enable observations of exotic astrophysical sources at unprecedented spectral and spatial resolution. Proper interpretation of these data demands that the accuracy of the models is at least within the uncertainty of the observations. One set of quantities that might not currently meet this requirement is transition energies of various astrophysically relevant ions. Current databases are populated with many untested theoretical calculations. Accurate laboratory benchmarks are required to better understand the coming data. We obtained laboratory spectra of X-ray lines from a silicon plasma at an average spectral resolving power of ∼7500 with a spherically bent crystal spectrometer on the Z facility at Sandia National Laboratories. Many of the lines in the data are measured here for the first time. We report measurements of 53 transitions originating from the K-shells of He-like to B-like silicon in the energy range between ∼1795 and 1880 eV (6.6–6.9 Å). The lines were identified by qualitative comparison against a full synthetic spectrum calculated with ATOMIC. The average fractional uncertainty (uncertainty/energy) for all reported lines is ∼5.4 × 10 −5 . We compare the measured quantities against transition energies calculated with RATS and FAC as well as those reported in the NIST ASD and XSTAR’s uaDB. Average absolute differences relative to experimentally measured values are 0.20, 0.32, 0.17 and 0.38 eV, respectively. All calculations/databases show good agreement with the experimental values; NIST ASD shows the closest match overall.

astrophysical plasmas↗
DOE OSTI2024

LES and RANS Spray Combustion Analysis of OME 3-5 and n-Dodecane

Clean-burning oxygenated and synthetic fuels derived from renewable power, so-called e-fuels, are a promising pathway to decarbonize compression–ignition engines. Polyoxymethylene dimethyl ethers (PODEs or OMEs) are one candidate of such fuels with good prospects. Their lack of carbon-to-carbon bonds and high concentration of chemically bound oxygen effectively negate the emergence of polycyclic aromatic hydrocarbons (PAHs) and even their precursors like acetylene (C 2 H 2 ), enabling soot-free combustion without the soot-NO x trade-off common for diesel engines. The differences in the spray combustion process for OMEs and diesel-like reference fuels like n-dodecane and their potential implications on engine applications include discrepancies in the observed ignition delay, the stabilized flame lift-off location, and significant deviations in high-temperature flame morphology. For CFD simulations, the accurate modeling and prediction of these differences between OMEs and n-dodecane proved challenging. This study investigates the spray combustion process of an OME 3 − 5 mixture and n-dodecane with advanced optical diagnostics, Reynolds-Averaged Navier–Stokes (RANS), and Large-Eddy Simulations (LESs) within a constant-volume vessel. Cool-flame and high-temperature combustion were measured simultaneously via high-speed (50 kHz) imaging with formaldehyde (CH 2 O) planar laser-induced fluorescence (PLIF) representing the former and line-of-sight OH* chemiluminescence the latter. Both RANS and LES simulations accurately describe the cool-flame development process with the formation of CH 2 O. However, CH 2 O consumption and the onset of high-temperature reactions, signaled by the rise of OH* levels, show significant deviations between RANS, LES, and experiments as well as between n-dodecane and OME. A focus is set on the quality of the simulated results compared to the experimentally observed spatial distribution of OH*, especially in OME fuel-rich regions. The influence of the turbulence modeling is investigated for the two distinct ambient temperatures of 900 K and 1200 K within the Engine Combustion Network Spray A setup. The capabilities and limitations of the RANS simulations are demonstrated with the initial cool-flame propagation and periodic oscillations of CH 2 O formation/consumption during the quasi-steady combustion period captured by the LES.

CFD↗