SEARCH · Search NASA

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 217 records · Page 12

All sources NASA NTRS DOE OSTI

DOE OSTI2024

The XRISM/Resolve View of the Fe K Region of Cyg X-3

The X-ray binary system Cygnus X-3 (4U 2030+40, V1521 Cyg) is luminous but enigmatic owing to the high intervening absorption. High-resolution X-ray spectroscopy uniquely probes the dynamics of the photoionized gas in the system. In this Letter, we report on an observation of Cyg X-3 with the XRISM/Resolve spectrometer, which provides unprecedented spectral resolution and sensitivity in the 2–10 keV band. We detect multiple kinematic and ionization components in absorption and emission whose superposition leads to complex line profiles, including strong P Cygni profiles on resonance lines. The prominent Fe xxv Heα and Fe xxvi Lyα emission complexes are clearly resolved into their characteristic fine-structure transitions. Self-consistent photoionization modeling allows us to disentangle the absorption and emission components and measure the Doppler velocity of these components as a function of binary orbital phase. We find a significantly higher velocity amplitude for the emission lines than for the absorption lines. The absorption lines generally appear blueshifted by ∼−500–600 km s −1 . We show that the wind decomposes naturally into a relatively smooth and large-scale component, perhaps associated with the background wind itself, plus a turbulent, denser structure located close to the compact object in its orbit.

Audard, Marc (ORCID:000000034721034X)↗

DOE OSTI2026

Forecasting the Cross Correlation of Terahertz Intensity Mapper [C ii] Line Intensity Maps with Euclid Galaxies

We forecast that the Terahertz Intensity Mapper (TIM) cross-correlated with Euclid’s Deep Field Fornax (EDF-F), TIM × EDF-F, will detect the [C ii]-galaxy cross-power spectrum at a median redshift of 1.1 with ≳7σ confidence. The Poisson component of the cross-power spectrum at 0.1 ≤ k ≤ 10 h Mpc$^{−1}$ (i.e., cross-shot noise) will be detected at ≳3σ in four bins spanning 0.5 < z < 1.7. This measurement will constrain the mean [C ii] specific intensity over half of cosmic history and assess the degree to which Euclid-selected galaxies account for the [C ii] intensity observed by TIM. We find that TIM can detect the cross-power spectrum across a wide range of [C ii] intensity models.

Bracks, Justin S. [UCLA; Caltech; UPenn, Philadelp↗

DOE OSTI2023

Modeling the impact of the fuel injection strategy on the combustion and performance characteristics of a heavy-duty GCI engine

Gasoline compression ignition (GCI) is a promising strategy to achieve high thermal efficiency and low emissions with limited modifications to the conventional diesel engine hardware. It is a partially premixed concept, which derives its superiority from higher volatility and longer ignition delay of gasoline-like fuels combined with higher compression ratio typical of diesel engines. Here, the present study investigates the combustion process in a GCI engine operating with different injection strategies using computational fluid dynamics (CFD). Simulations are carried out on a single cylinder of a multi cylinder heavy-duty compression ignition engine, which operates at a compression ratio of 17:1 and an engine speed of 1038 rev/min. Two different injection strategies viz., late injection (LI), and early pilot injection (EP) are investigated to understand their impact on combustion and performance of the engine. Renormalized group (RNG) k-ε model is used to describe in-cylinder turbulence and KH RT model is used to simulate the fuel spray breakup. The developed CFD methodology is validated against relevant experimental data under a wide range of operating conditions for each injection strategy. The developed CFD methodology was found to capture the engine combustion behavior quite well. Based on the validated CFD model, the differences in the progress of combustion event for the two injection strategies is highlighted. It was found that a larger pilot fuel mass fraction results in a steeper rise in the initial heat release rate which in turn influences the transition to mixing controlled combustion. In line with the experimental data, the study showed that the late pilot injection strategy with three injection pulses, results in higher performance compared to the other conditions.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Assessing the Accuracy of Balanced Power System Models in the Presence of Voltage Unbalance

Traditional models of electric power systems represent distribution systems with unbalanced three-phase network models and transmission systems with balanced single-phase-equivalent network models. This distinction poses a challenge for coupled models of transmission and distribution systems, which are becoming more prevalent due to the growth of distributed energy resources connected to distribution systems. In order to maintain a balanced network representation, transmission system models typically assume that the voltage phasors at the interface to the distribution system are balanced. Inaccuracies resulting from this assumption during unbalanced operation can lead to erroneous values for line currents in the transmission system model. This paper empirically quantifies the accuracy of this balanced operating assumption during unbalanced operating conditions for both a simple two-bus system along with a more complex transmission and distribution co-simulation. This paper also characterizes the performance of different methods for translating the unbalanced voltage phasors into a balanced representation in order to give recommendations for modeling coupled transmission and distribution systems.

power distribution↗

DOE OSTI2020

Bioenergy Technologies in Long-Run Climate Change Mitigation: Results from the EMF-33 Study

Bioenergy is expected to play an important role in long-run climate change mitigation strategies as highlighted by many integrated assessment model (IAM) scenarios. These scenarios, however, also show a very wide range of results, with uncertainty about bioenergy conversion technology deployment and biomass feedstock supply. To date, the underlying differences in model assumptions and parameters for the range of results have not been conveyed. Here we explore the models and results of the 33rd study of the Stanford Energy Modeling Forum to elucidate and explore bioenergy technology specifications and constraints that underlie projected bioenergy outcomes. We first develop and report consistent bioenergy technology characterizations and modeling details. We evaluate the bioenergy technology specifications through a series of analyses—comparison with the literature, model intercomparison, and an assessment of bioenergy technology projected deployments. We find that bioenergy technology coverage and characterization varies substantially across models, spanning different conversion routes, carbon capture and storage opportunities, and technology deployment constraints. Still, the range of technology specification assumptions is largely in line with bottom-up engineering estimates. We then find that variation in bioenergy deployment across models cannot be understood from technology costs alone. Important additional determinants include biomass feedstock costs, the availability and costs of alternative mitigation options in and across end-uses, the availability of carbon dioxide removal possibilities, the speed with which large scale changes in the makeup of energy conversion facilities and integration can take place, and the relative demand for different energy services.

bioenergy↗

DOE OSTI2020

Substation Cable Layouts for EMP Coupling Analysis

Direct coupling of early-time high-altitude electromagnetic pulse (HEMP) to substation control cables is simulated for cable layouts based on surveys of seven electrical substations in the United States. An analytic transmission line modeling code is used to estimate worst-case coupled current at the terminations of cable segments in or near the control shack. Where applicable, an induced voltage due to cable shield grounding is also estimated. Various configurations are simulated, including cables with different elevations, lengths, radii, and terminations. Plots of the coupled HEMP effects are given, and general relationships between these effects and the substations geometric and material parameters are highlighted and discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Cr plasma-material-interaction in PISCES-RF: D thermal release, retention, and erosion

Pure chromium (Cr) targets were exposed to high-flux deuterium (D) plasmas in the Pisces-RF linear plasma device, and measurements of D retention, release, and erosion were subsequently performed. Post-exposure D retention was quantified using temperature-programmed desorption on Cr targets irradiated by 50 eV ions over a broad range of exposure temperatures (423–873 K) and ion fluences (3 × 10 24 – 3 × 10 26 m −2 ). The retained D inventory was observed to decrease rapidly with increased exposure temperature, from approximately ∼7 × 10 20 m −2 at ∼ 420 K, to then saturate near ∼ 10 20 m −2 for exposure temperatures above ∼550 K. Separately, at fixed exposure temperature (∼450 K), D retention was found to have only a weak dependence on increasing ion fluence. Lastly, the erosion of Cr in D plasma was investigated for ion impact energies in the range 40 ≤ E i ≤ 250 eV. Erosion was inferred using optical emission spectroscopy (OES) from the ratio of emission lines (Cr I (425.4 nm)/D I (656.1 nm)) measured close to the target. Conversion of the OES yield data to net erosion yield was made with singular ion energy target mass-loss measurements. These net erosion yield data were then further corrected to obtain gross erosion yield by accounting for a re-deposition factor, computed using a simple model. The gross erosion yield is found to be 2–4 times lower than predicted by SDTrimSP, consistent with that typically observed for light-ion sputtering under high-flux plasma conditions.

Chromium↗

DOE OSTI2021

Post-extreme-event restoration using linear topological constraints and DER scheduling to enhance distribution system resilience

In this paper, a post-extreme-event restoration (PEER) algorithm is proposed to improve distribution system resilience. Linear topological constraints are proposed to ensure radial topology after N-k contingencies, possibly in multiple islands. The approach is made comprehensive by considering dispatchable distributed energy resources (DERs), non-dispatchable DERs, and demand responses, as well as on-load tap changers (OLTCs) and shunt capacitors. The goal is to minimize the accumulative expense caused by load reduction payment or penalty, as well as DER operation cost. As a result, the overall system will survive longer with higher resilience during an extreme event. To verify the effectiveness of the PEER algorithm, we proposed a resilience evaluation algorithm using Monte Carlo simulation (MCS) with reduced scenarios. This is based on a probabilistic model for generating random scenarios which consider the uncertainty of line faults and solar irradiance. Combined with the proposed PEER algorithm, this reduced-scenario MCS can evaluate the expected energy not served (EENS) which is an essential index for distribution system resilience. Case studies of the IEEE 33-bus and 123-bus test systems validate the proposed algorithm in reducing EENS.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

FLEXO: A Portably Performant Code for Pulsed Power Target Physics

FLEXO (Flux-Limited Extended-MHD Ohm's Law) is a production-line multiphysics code developed at Sandia to enable more predictive modeling of target physics on pulsed-power devices. FLEXO uses an extended magnetohydrodynamics (XMHD) model which includes a generalized Ohm's law (GOL), an electron inertia term, and Hall physics. This report describes the code's numerical methods, its computational performance, and test problems of interest.

42 ENGINEERING↗

DOE OSTI2023

Exploration of non-resonant divertor features on the Compact Toroidal Hybrid

Abstract Non-resonant divertors (NRDs) separate the confined plasma from the surrounding plasma facing components (PFCs). The resulting striking field line intersection pattern on these PFCs is insensitive to plasma equilibrium effects. However, a complex scrape-off layer (SOL), created by chaotic magnetic topology in the plasma edge, connects the core plasma to the PFCs through varying magnetic flux tubes. The Compact Toroidal Hybrid (CTH) serves as a test-bed to study this by scanning across its inductive current. Simulations observe a significant change of the chaotic edge structure and an effective distance between the confined plasma and the instrumented wall targets. The intersection pattern is observed to be a narrow helical band, which we claim is a resilient strike line pattern. However, signatures of finger-like structures, defined as heteroclinic tangles in chaotic domains, within the plasma edge connect the island chains to this resilient pattern. The dominant connection length field lines intersecting the targets are observed via heat flux modeling with EMC3-EIRENE. At low inductive current levels, the excursion of the field lines resembles a limited plasma wall scenario. At high currents, a private flux region is created in the area where the helical strike line pattern splits into two bands. These bands are divertor legs with distinct SOL parallel particle flow channels. The results demonstrate the NRD strike line pattern resiliency within CTH, but also show the underlying chaotic edge structure determining if the configuration is diverted or limited. This work supports future design efforts for a mechanical structure for the NRD.

Physics↗

DOE OSTI2022

Understanding the Stability of Manganese Chromium Antimonate Electrocatalysts through Multimodal In Situ and Operando Measurements

Herein, we utilize an on-line electrochemical flow cell coupled with an inductively coupled plasma-mass spectrometer (ICP-MS) to characterize the impact of composition and reactant gas on the multielement dissolution of Mn(-Cr)-Sb-O electrocatalysts. Compared to Mn 2 O 3 and Cr 2 O 3 oxides, we find that the antimonate framework stabilizes Mn at OER potentials and Cr at both ORR and OER potentials. Furthermore, dissolution of Mn and Cr from Mn(-Cr)-Sb-O is found to be driven by ORR reaction rate, with minimal dissolution under N 2 . We observe preferential dissolution of Cr totaling 13% over 10 minutes at 0.3, 0.6, and 0.9 V vs RHE, with only 1.5% loss of Mn, indicating an enrichment of Mn at the surface of the particles. Despite this asymmetric dissolution, in situ X-ray absorption spectroscopy (XAS) showed no measurable changes in the Mn K-edge at comparable potentials. This lack of change could suggest that modification to the Mn oxidation state in the surface layer is too small or that layer is too thin to be measured with the bulk XAS measurement. Lastly, on-line ICP-MS was used to assess the effects of applied potential, scan rate, and current of Mn-Cr-Sb-O during cyclic voltammetry and accelerated stress tests. With this deeper understanding of the interplay between oxygen reduction and dissolution, testing procedures were identified to maximize both activity and stability. This work highlights the use of multi-modal in situ characterization techniques in tandem to build a more complete model of stability and develop protocols for optimizing catalyst performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Nondetection of Helium in the Upper Atmospheres of TRAPPIST-1b, e, and f

We obtained high-resolution spectra of the ultracool M-dwarf TRAPPIST-1 during the transit of its planet “b” using two high-dispersion near-infrared spectrographs, the Infrared Doppler (IRD) instrument on the Subaru 8.2m telescope, and the Habitable Zone Planet Finder (HPF) instrument on the 10 m Hobby–Eberly Telescope. These spectroscopic observations are complemented by a photometric transit observation for planet “b” using the APO/ARCTIC, which assisted us in capturing the correct transit times for our transit spectroscopy. Using the data obtained by the new IRD and HPF observations, as well as the prior transit observations of planets “b,” “e” and “f” from IRD, we attempt to constrain the atmospheric escape of the planet using the He i triplet 10830 Å absorption line. We do not detect evidence for any primordial extended H-He atmospheres in all three planets. To limit any planet-related absorption, we place an upper limit on the equivalent widths of <7.754 mÅ for planet “b,” <10.458 mÅ for planet “e,” <4.143 mÅ for planet “f” at 95% confidence from the IRD data, and <3.467 mÅ for planet “b” at 95% confidence from HPF data. Using these limits along with a solar-like composition isothermal Parker wind model, we attempt to constrain the mass-loss rates for the three planets. For TRAPPIST-1b, our models exclude the highest possible energy-limited rate for a wind temperature <5000 K. This nondetection of extended atmospheres with low mean-molecular weights in all three planets aids in further constraining their atmospheric composition by steering the focus toward the search of high-molecular-weight species in their atmospheres.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Size distribution of polycyclic aromatic hydrocarbons in space: an old new light on the 11.2/3.3 μm intensity ratio

The intensity ratio of the 11.2/3.3 μm emission bands is considered to be a reliable tracer of the size distribution of polycyclic aromatic hydrocarbons (PAHs) in the interstellar medium (ISM). This paper describes the validation of the calculated intrinsic infrared (IR) spectra of PAHs that underlie the interpretation of the observed ratio. The comparison of harmonic calculations from the NASA Ames PAH IR spectroscopic database to gas-phase experimental absorption IR spectra reveals a consistent underestimation of the 11.2/3.3 μm intensity ratio by 34%. IR spectra based on higher level anharmonic calculations, on the other hand, are in very good agreement with the experiments. While there are indications that the 11.2/3.3 μm ratio increases systematically for PAHs in the relevant size range when using a larger basis set, it is unfortunately not yet possible to reliably calculate anharmonic spectra for large PAHs. Based on these considerations, we have adjusted the intrinsic ratio of these modes and incorporated this in an interstellar PAH emission model. This corrected model implies that typical PAH sizes in reflection nebulae such as NGC 7023 – previously inferred to be in the range of 50 to 70 carbon atoms per PAH are actually in the range of 40 to 55 carbon atoms. The higher limit of this range is close to the size of the C 60 fullerene (also detected in reflection nebulae), which would be in line with the hypothesis that, under appropriate conditions, large PAHs are converted into the more stable fullerenes in the ISM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Experimental demonstration of >20 kJ laser energy coupling in 1-cm hydrocarbon-filled gas pipe targets via inverse Bremsstrahlung absorption with applications to MagLIF

Laser propagation experiments using four beams of the National Ignition Facility to deliver up to 35 kJ of laser energy at 351 nm laser wavelength to heat magnetized liner inertial fusion-scale (1 cm-long), hydrocarbon-filled gas pipe targets to ~keV electron temperatures have demonstrated energy coupling >20 kJ with essentially no backscatter in 15% critical electron density gas fills with 0–19 T applied axial magnetic fields. The energy coupling is also investigated for an electron density of 11.5% critical and for applied field strengths up to 24 T at both densities. This spans a range of Hall parameters 0 < ω ce τ ei ≲ 2, where a Hall parameter of 0.5 is expected to reduce electron thermal conduction across the field lines by a factor of 4–5 for the conditions of these experiments. At sufficiently high applied field strength (and therefore Hall parameter), the measured laser propagation speed through the targets increases in the measurements, consistent with reduced perpendicular electron thermal transport; this reduces the coupled energy to the target once the laser burns through the gas pipe. In conclusion, the results compare well with a 1D analytic propagation model for inverse Bremsstrahlung absorption.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV–infected mice

Pathogenic coronaviruses are a major threat to global public health, as exemplified by severe acute respiratory syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome coronavirus (MERS-CoV), and the newly emerged SARS-CoV-2, the causative agent of coronavirus disease 2019 (COVID-19). We describe herein the structure-guided optimization of a series of inhibitors of the coronavirus 3C-like protease (3CLpro), an enzyme essential for viral replication. The optimized compounds were effective against several human coronaviruses including MERS-CoV, SARS-CoV, and SARS-CoV-2 in an enzyme assay and in cell-based assays using Huh-7 and Vero E6 cell lines. Two selected compounds showed antiviral effects against SARS-CoV-2 in cultured primary human airway epithelial cells. In a mouse model of MERS-CoV infection, administration of a lead compound 1 day after virus infection increased survival from 0 to 100% and reduced lung viral titers and lung histopathology. These results suggest that this series of compounds has the potential to be developed further as antiviral drugs against human coronaviruses.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Figuring Out Gas & Galaxies in Enzo (FOGGIE). VI. The Circumgalactic Medium of L * Galaxies Is Supported in an Emergent, Nonhydrostatic Equilibrium

The circumgalactic medium (CGM) is often assumed to exist in or near hydrostatic equilibrium, with the regulation of accretion and the effects of feedback treated as perturbations to a stable balance between gravity and thermal pressure. We investigate global hydrostatic equilibrium in the CGM using four highly resolved L* galaxies from the Figuring Out Gas & Galaxies in Enzo (FOGGIE) project. The FOGGIE simulations were specifically targeted at fine spatial and mass resolution in the CGM (Δx ≲ 1 kpc h –1 and M ≃ 200M ⊙ ). We develop a new analysis framework that calculates the forces provided by thermal pressure gradients, turbulent pressure gradients, ram pressure gradients of large-scale radial bulk flows, centrifugal rotation, and gravity acting on the gas in the CGM. Thermal and turbulent pressure gradients vary strongly on scales of ≲5 kpc throughout the CGM. Thermal pressure gradients provide the main supporting force only beyond ~0.25R 200 , or ~50 kpc at z = 0. Within ~0.25R 200 , turbulent pressure gradients and rotational support provide stronger forces than thermal pressure. More generally, we find that global equilibrium models are neither appropriate nor predictive for the small scales probed by absorption line observations of the CGM. Local conditions generally cannot be derived by assuming a global equilibrium, but an emergent global equilibrium balancing radially inward and outward forces is obtained when averaging over the nonequilibrium local conditions on large scales in space and time. Approximate hydrostatic equilibrium holds only at large distances from galaxies, even when averaging out small-scale variations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Ultra-wide bandgap β-Ga 2 O 3 films: Optical, phonon, and temperature response properties

Optical and phonon interactions of Ga 2 O 3 thin films with nanocrystalline morphology were studied at extreme temperatures. The films were grown using a sputtering technique and analyzed via temperature response transmission, Raman scattering, and high-resolution deep-UV photoluminescence (PL). Raman modes indicated that the structure corresponds to the β-phase. The optical-gap at the range of 77–620 K exhibited a redshift of ~200 meV, with a temperature coefficient of ~0.4 meV/K. The optical-gap at room-temperature is 4.85 eV. The electron–phonon interaction model at that temperature range pointed to a low energy phonon, ~31 meV, that is involved in the thermal properties of the optical-gap. Detailed Urbach energy analysis indicated that defects are the dominant mechanism controlling the band-edge characteristics even at an elevated temperature regime where phonon dominance is usually expected. Defects are attributed to the disordered forms of graphite that were detected via Raman scattering and to the granular morphology of the film. A deep-UV laser with an above bandgap exaction line of 5.1 eV was employed to map the PL of the films. The highly resolved spectra, even at room-temperature, show a strong emission of ~3.56 eV attributed to self-trapped holes (STHs). The STH is discussed and modeled in terms of the self-trapped exciton. Moreover, a very distinct but low-intensity emission was found at 4.85 eV that agrees with the value of the optical-gap and is attributed to bandgap recombination. The intensity ratio between the STH and that of the bandgap was found to be 6:1.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Calibration, modeling, parameterization, and verification of the instrument transfer function of an interferometric microscope

Interferometric microscopes are used to measure surface roughness, from which the computed power spectral density function can be used to extract bandwidth-limited values of the various surface properties, such as root-mean-square (rms) height and slope errors. Measurements with a microscope equipped with different objectives that have an overlapping spatial frequency range usually give different rms results over the common frequency bandwidth. This is a result of different instrument transfer functions (ITFs) that attenuate spatial frequencies by different amounts over the overlapping range. We report on the use of binary pseudo-random array (BPRA) standards to characterize the ITF of an interferometric microscope with the various objectives. We use a simple model of a 1D binary Results show that the spectrum for an undersampled array is a cosine function, rather than a straight line, constant white noise spectrum. We have an analytical model of the ITF that includes the effects of an obscured aperture and defocus, in addition to the usual parameters of numerical aperture, wavelength, and sampling period. In addition, the model includes the effect of aliasing of spatial frequency components beyond the Nyquist back into the sub-Nyquist region. We compare the model PSD predictions to the measurements performed with different objectives. Departures of the measured PSDs from the model predictions indicate that there are higher-order ITF corrections yet to be identified and included in the model.

Takacs, PZ↗