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NASA NTRS1977

Observations of neutral composition and related ionospheric variations during a magnetic storm in February 1974

The neutral-atmosphere composition experiment on Atmosphere Explorer C measured N2, O, Ar, and He densities during a magnetic storm at altitudes down to about 160 km. At latitudes above 45 deg N, N2 and Ar densities generally increase during the storm, while He and O densities decrease. Below 45 deg N all densities tend to increase during the storm. The density increases at perigee indicate that density- or temperature-profile changes are taking place below 160 km. The return to prestorm conditions is very slow, demonstrating the integrating effect of the atmospheric response. A recent theoretical model incorporating thermospheric circulation and diffusion effects reproduces the longitudinally averaged data, including latitude trends and the asymmetry about the storm maximum. Comparison with the mass-spectrometer and incoherent-scatter empirical model shows qualitative agreement with latitude trends but not with storm asymmetry, while the earlier J71 model based on total mass density is not in agreement with observed latitudinal trends. A close correlation is found between in situ O/N2 measurements and in situ and ground-based ionosonde measurements of electron density.

Hedin, A. E.↗

DOE OSTI2022

A deep potential model with long-range electrostatic interactions

Machine learning models for the potential energy of multi-atomic systems, such as the deep potential (DP) model, make molecular simulations with the accuracy of quantum mechanical density functional theory possible at a cost only moderately higher than that of empirical force fields. However, the majority of these models lack explicit long-range interactions and fail to describe properties that derive from the Coulombic tail of the forces. To overcome this limitation, we extend the DP model by approximating the long-range electrostatic interaction between ions (nuclei + core electrons) and valence electrons with that of distributions of spherical Gaussian charges located at ionic and electronic sites. The latter are rigorously defined in terms of the centers of the maximally localized Wannier distributions, whose dependence on the local atomic environment is modeled accurately by a deep neural network. In the DP long-range (DPLR) model, the electrostatic energy of the Gaussian charge system is added to short-range interactions that are represented as in the standard DP model. The resulting potential energy surface is smooth and possesses analytical forces and virial. Missing effects in the standard DP scheme are recovered, improving on accuracy and predictive power. By including long-range electrostatics, DPLR correctly extrapolates to large systems the potential energy surface learned from quantum mechanical calculations on smaller systems. We illustrate the approach with three examples: the potential energy profile of the water dimer, the free energy of interaction of a water molecule with a liquid water slab, and the phonon dispersion curves of the NaCl crystal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Power handling in a highly-radiative negative triangularity pilot plant

Abstract This work explores detailed power handling solutions for a class of high-field, highly-radiative negative triangularity (NT) reactors based around the MANTA concept (Rutherford et al 2024 Plasma Phys. Control. Fusion ). The divertor design is kept as simple as possible, opting for a standard divertor with standard leg length. FreeGS is used to create an equilibrium for the boundary region, prioritizing a short outer leg length of only ∼50 cm (∼40% of the minor radius). The UEDGE code package is used for the boundary plasma solution to track plasma temperatures and fluxes to the divertor targets. It is found that for P SOL = 25 MW and n sep = 0.96 × 10 20 m −3 , conditions consistent with initial core transport modeling, little additional power mitigation is necessary. For a fixed impurity fraction of just 0.13% Ne in the plasma, the peak heat flux density at the more heavily loaded outer targets falls to 7.8 MW m −2 , while the electron temperature T e remains just under 5 eV. Scans around the parameter space reveal that even at densities lower than in the primary operating scenario, P SOL can be increased up to 50 MW, so long as a slightly higher fraction of extrinsic radiator is used. With less than 1% neon (Ne) impurity content, the divertor still experiences less than 10 MW m −2 at the outer target. Design of the plasma-facing components includes a close-fitting vacuum vessel with a tungsten inner surface as well as FLiBe-carrying cooling channels fashioned into the VV wall directly behind the divertor targets. For the seeded heat flux profile, Ansys Fluent heat transfer simulations estimate that the outer target temperature remains at just below 1550 ∘ C. Initial scoping of advanced divertor designs shows that for an X-divertor, detachment of the outer target becomes much simpler, and plasma fluxes to the targets drop considerably with only 0.01% Ne content.

Miller, M. A. (ORCID:0000000265406533)↗

DOE OSTI2026

Benchmarking core turbulence and transport predictions for an inductive compact tokamak reactor plasma

Motivated by the need for accurate, timely, and efficient calculations of plasma transport, predictions of plasma turbulence properties made using different TGLF saturation rules are benchmarked against corresponding predictions from linear and nonlinear gyrokinetic CGYRO simulations. This benchmarking is carried out using parameters taken from an inductive burning plasma scenario in a hypothetical compact high-field (R maj = 4 m, B T = 8 T) tokamak, lying in a much different regime of parameter space than either the TGLF calibration regime or current-day experiments. The core turbulent transport in this scenario is predicted to be dominated by ion temperature gradient (ITG) turbulence. In general, the ITG critical gradients predicted by various TGLF saturation rules are quite close to the CGYRO predictions. Both codes predict similar linear ITG growth rates and frequency spectra, as well as their scaling with R/L T i = −Rd ln(T i )/dr. However, TGLF systematically predicts unstable trapped-electron modes (TEMs) above k y ρ s ≃ 0.5 not seen by CGYRO for the same parameters, due to TGLF predicting a lower threshold in R/L T e than CGYRO for TEM onset. It is shown that for this scenario, nonlinear CGYRO simulations predict stiffer ITG turbulence than the TGLF SAT0 and SAT1 saturation rules, with energy fluxes close in magnitude and scaling with R/L T i to what is predicted by the SAT2 saturation rule. Self-consistent core profiles calculated using nonlinear CGYRO flux predictions and the PORTALS transport solver are shown to agree fairly well with corresponding predictions made using the TGLF SAT2 model, including a similar level of density peaking.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2014

Titan's Plasma Environment : 3D Hybrid Kinetic Modeling of the TA Flyby and Comparison with CAPS-ELS and RPWS LP Observations

In this report we discuss the global plasma environment of the TA flyby from the perspective of 3D hybrid modeling. In our model the background, pickup, and ionospheric ions are considered as particles, whereas the electrons are described as a fluid. In homogeneous photoionization, electron-impact ionization and charge exchange are included in our model. We also take into account the collisions between the ions and neutrals. Our modeling shows that mass loading of the background plasma (H(+), O(+)) by pick up ions H2(+), CH4(+) and N2(+) differs from theT9 encounter simulations when O(+) ions are not introduced into the background plasma. In our hybrid-modeling we use Chamberlain profiles for the atmospheric components. We also include a simple ionosphere model with average mass M=28 amu ions that were generated inside the ionosphere. Titan's interior is considered as a weakly conducting body. Special attention has been paid to comparing the simulated pickup ion density distribution with CAPS-ELS and with RPWS LP observations by the Cassini-Huygens spacecraft along theta trajectory. Our modeling shows an asymmetry of the ion density distribution and the magnetic field, including the formation of Alfven wing-like structures.

induced magnetospheres↗

NASA NTRS1977

Clusters of galaxies

Observational properties of clusters of galaxies and some theoretical interpretations are reviewed. The major subjects of the review include catalogs of clusters, the static properties of rich clusters, cluster dynamics, X-ray emission from clusters of galaxies, and cluster radio emission. Observed static properties discussed are: richness, classification schemes, galactic content, cD galaxies, density profiles, sizes, and the optical luminosity function. Several characteristic time scales of clusters of galaxies are examined along with mass segregation, the dynamical evolution of clusters, cluster masses, mass-to-light ratios, the missing-mass problem, and the mean galactic and cluster mass densities in the universe. The main characteristics of clusters that contain X-ray emission are summarized, emphasizing the relation of the X-ray emission to optical properties. The most important properties of cluster radio emission are outlined, the relation of this emission to the other cluster properties studied is indicated, and evidence suggesting the influence of an intracluster gas on the radio galaxies and their relativistic electrons is noted.

Bahcall, N. A.↗

NASA NTRS1980

Measurements of quiescent prominence spectra - Ca/+/ double-lambda 8542, 8498 and He lambda 4471, Ti/+/ lambda 4468

High-dispersion measurements of the line profiles of the Ca(+) lines at 8542 and 8498 A and the He 4471-A, Ti(+) 4468-A line pair in the spectra of quiescent solar prominences are presented. The measured Ca(+) and He line profiles are found to be accurately described by the two-component model of Landman et al. (1977) and Landman and Mongillo (1979) in which the prominence along the line of sight consists of a low-temperature region surrounded by high-temperature material representing contributions from the prominence/corona interface; the Ti(+) lines are too weak to distinguish among different models. The Ca(+) data allow a constant infrared line source function for the low-temperature region of 50,000 ergs/sq cm per sec per ster per A to be calculated, which is in disagreement with the previous Ca(+) excitation equilibrium calculations but is consistent with generally accepted values of the electron density and temperature. The integrated intensity ratio of 0.048 between Ti(+) and He emission indicates a low-temperature region temperature of 6620 K and microturbulence of 5.1 km/sec and high-temperature microturbulence of 11 km/sec for Ca(+) and 20 km/sec for He. The results exclude macroturbulence as a possible explanation of the generally observed wing enhancements.

Landman, D. A.↗

NASA NTRS1994

Coronal electron density diagnostic from Fe XII

We present observations of the forbidden coronal lines Fe XII 1242 A and 1349 A from active regions and from two flares, obtained by the SO82B slit spectrograph onboard Skylab. The line intensity ratio R = I(1242 A)/I(1349 A) is sensitive to electron density. We have calculated this ratio using recent atomic data, and obtained coronal electron densities at T = 1.5 x 10(exp 6) K for our observations. We find a range in N(sub e) of (0.5 to 7.2) x 10(exp 9)/cm(exp -3) for active regions, which is in good agreement with previous results from other diagnostic ratios in this temperature range, and of approximately (0.9 to 12) x 10(exp 9)/cm(exp -3) (or higher) for flares, which is generally low compared to previous flare results. The flare values employ particularly weak 1349 A observations and may not be reliable. From an observation of an active region just inside the solar limb, giving the best coverage in our data of both line profiles, we find a line width (FWHM) for both lines of 0.20 A, which corresponds to a nonthermal velocity of 18 km/sec.

Cook, J. W.↗

DOE OSTI2021

Impact of Stabilizing Cations on Lithium Intercalation in Tunneled Manganese Oxide Cathodes

Stabilizing cations such as K + , Ba 2+ , and Ag + are known to provide charge neutrality and enhance structural stability in low-cost tunneled manganese dioxide (MnO 2 ) cathodes for Li ion batteries. However, a fundamental understanding of the role of these cations in the electrochemical performance of tunneled MnO 2 cathodes remains unclear, especially at low stabilizing cation concentrations. Here, we employ density functional theory (DFT + U) calculations to reveal the impact of stabilizing potassium cation (K + ) concentration on the structural stability, electronic properties, and kinetics of lithium transport in 2 x 2 tunneled manganese oxide (α-K y Mn 8 O 16 , at y = 0, 1, and 2) battery cathodes during lithium intercalation. Specifically, we provide insights into the effect of K + ions on several critical factors governing the electrochemical storage performance of tunneled MnO2 cathodes, including (a) energetically favorable Li+ host sites, (ii) Li + and electron transport capabilities, (iii) optimal intercalation pathways, crystal distortion, microstructural stability, and tunneled-to-layer phase transformation as a function of lithium content, and (iv) cell output voltage profile. Interestingly, we find that low K + concentrations (y ≤ 1) yield partially cation-deficient tunnels in the MnO 2 cathode. Such unique tunnel structures in the cathode enable (a) low kinetic barriers for Li transport, (b) excellent thermodynamic stability of the tunneled structure even at a high Li + loading (up to ~ 0.625 Li/Mn), and (c) good electronic conductivity facilitated by Jahn-Teller distortions; all of which are critical for achieving high capacity batteries with enhanced rate capability. Additionally, these results provide perspectives to design low-cost transition metal oxide cathodes for high-performance Li-ion batteries with excellent cycle life.

25 ENERGY STORAGE↗

DOE OSTI2020

A fundamental look at electrocatalytic sulfur reduction reaction

The fundamental kinetics of the electrocatalytic sulfur reduction reaction (SRR), a complex 16-electron conversion process in lithium–sulfur batteries, is so far insufficiently explored. In this study, by directly profiling the activation energies in the multistep SRR, we reveal that the initial reduction of sulfur to the soluble polysulfides is relatively easy owing to the low activation energy, whereas the subsequent conversion of the polysulfides into the insoluble Li 2 S 2 /Li 2 S has a much higher activation energy, contributing to the accumulation of polysulfides and exacerbating the polysulfide shuttling effect. We use heteroatom-doped graphene as a model system to explore electrocatalytic SRR. We show that nitrogen and sulfur dual-doped graphene considerably reduces the activation energy to improve SRR kinetics. Density functional calculations confirm that the doping tunes the p-band centre of the active carbons for an optimal adsorption strength of intermediates and electroactivity. This study establishes electrocatalysis as a promising pathway to tackle the fundamental challenges facing lithium–sulfur batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1983

The collapse of the local, Spitzer-Haerm formulation and a global-local generalization for heat flow in an inhomogeneous, fully ionized plasma

The breakdown of the classical (CBES) field aligned transport relations for electrons in an inhomogeneous, fully ionized plasma as a mathematical issue of radius of convergence is addressed, the finite Knudsen number conditions when CBES results are accurate is presented and a global-local (GL) way to describe the results of Coulomb physics moderated conduction that is more nearly appropriate for astrophysical plasmas are defined. This paper shows the relationship to and points of departure of the present work from the CBES approach. The CBES heat law in current use is shown to be an especially restrictive special case of the new, more general GL result. A preliminary evaluation of the dimensionless heat function, using analytic formulas, shows that the dimensionless heat function profiles versus density of the type necessary for a conduction supported high speed solar wind appear possible.

Scudder, J. D.↗

DOE OSTI2023

Sources of error and methods to improve accuracy in interface state density analysis using quasi-static capacitance–voltage measurements in wide bandgap semiconductors

Characterizing interface trap states in commercial wide bandgap devices using frequency-based measurements requires unconventionally high probing frequencies to account for both fast and slow traps associated with wide bandgap materials. The C - ψs technique has been suggested as a viable quasi-static method for determining the interface trap state densities in wide bandgap systems, but the results are shown to be susceptible to errors in the analysis procedure. Here this work explores the primary sources of errors present in the C - ψs technique using an analytical model that describes the apparent response for wide bandgap MOS capacitor devices. Measurement noise is shown to greatly impact the linear fitting routine of the 1/C$^{*2}_s$ vs Ψ s plot to calibrate the additive constant in the surface potential/gate voltage relationship, and an inexact knowledge of the oxide capacitance is also shown to impede interface trap state analysis near the band edge. In addition, a slight nonlinearity that is typically present throughout the 1/C$^{*2}_s$ vs Ψ s plot hinders the accurate estimation of interface trap densities, which is demonstrated for a fabricated n-SiC MOS capacitor device. Methods are suggested to improve quasi-static analysis, including a novel method to determine an approximate integration constant without relying on a linear fitting routine.

42 ENGINEERING↗

DOE OSTI2023

Exploring cesium properties internal to the LANSCE H - ion source using resonant absorption spectroscopy

The Los Alamos Neutron Science Center (LANSCE) H - ion source has provided stable output for decades of LANL mission needs, but its maximum beam output has remained the same at ~15 mA. A roadblock to improving beam output has been a lack of thorough understanding of the internal mechanisms of LANSCE H - ion source. The LANSCE H - Ion Source Laser Diagnostic Stand (HLDS) was recently built and commissioned to explore these internal mechanisms using laser absorption techniques, to measure and diagnose dynamic H - and cesium densities. The cesium density probe is based on resonant absorption of a continuous wave diode laser tuned though the D 2 line of cesium (~852 nm). The diagnostic capabilities of HLDS will be reviewed, and measurements using the cesium laser diagnostic will be presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Simulation of lithium transport using the BOUT++ framework

A numerical model that calculates the collisional interactions between the lithium atoms from a lithium pellet and the background plasmas has been upgraded. The ion density ($N_t$), electron temperature ($T_e$), ion temperature ($T_i$) and parallel ion velocity ($V_{∥, i}$) are used to characterize the background plasmas. The lithium atom density ($N^{a}_{Li}$) and parallel velocity ($V_{∥,a}$) of lithium atoms evolve with time. For each lithium ion, the density ($N_{Li^{n+}}$), temperature ($T_{Li^{n+}}$) and parallel velocity ($V_{∥, Li^{n+}}$) are self-consistently calculated. A C-mod lower single null equilibrium is used to generate the grid for the BOUT++ simulation. The lithium atoms can be fully ionized to $Li^{3+}$ in ~2 μs. The rapid radial and poloidal expansion of the lithium ions are found in the simulation. After the collision interaction process, the electron temperature rapidly decreases at the pellet location; then, it rapidly poloidally expands, and the temperature at the pellet location starts to recover. The electron pressure increases at the pellet location despite the decrease in electron temperature because of the extra electrons from the lithium ionization. The ion pressure profile decreases in the pellet location due to the decrease in ion temperature.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1973

Nighttime ion composition measurements at the geomagnetic equator

Two ion composition profiles, representative of the nighttime equatorial ionosphere between 90 km and 300 km, are presented. These profiles were obtained by two rocket-borne ion mass spectrometers on a single night for solar zenith angles of 112 deg and 165 deg. For both flights, the principal ion above 200 km is O(+). The downward drift of the atomic ions O(+) and N(+), coinciding with the postsunset lowering of the F2 peak, is observed through an enhancement of the density of O(+) at altitudes above 200 km and N(+) above 240 km. Below the drift region, O(+) and N(+) are observed in concentrations larger than expected. The NO(+) altitude distribution retains its shape throughout the night, and below 210 km, is the principal ion. The behavior of O2(+) can be explained by the O(+), electron density and theoretical neutral nitric oxide concentrations. Light metallic ions, including Mg(+), Na(+), and possibly Si(+), are observed to altitudes approaching 300 km and are affected by vertical drift.

Goldberg, R. A.↗

DOE OSTI2020

Initial Results From the Newly Upgraded LTX- β

LTX-β, the upgraded Lithium Tokamak Experiment, recently began its first campaign with a goal to study the transport properties of gradient-free electron temperature profile equilibria with increased toroidal field and neutral beam injection. The temperature-gradient-free equilibria in LTX were enabled by the lithium plasma-facing surface. To make the lithium surface conditions more consistent for LTX-β, a new, faster lithium evaporator system has been developed. The toroidal magnetic field has been nearly doubled to ≥0.3 T. Auxiliary heating and fueling with a high flux (35 A, 20 kV) neutral beam has begun. The beam provides core fueling without cold edge neutrals, to test whether flat temperature profiles can be sustained, and makes possible core ion temperature measurements via charge exchange recombination spectroscopy. Neutral beam fueling has been demonstrated with increases in line-integrated density. The coupling of the beam matches well with NUBEAM predictions for shine through. Improved performance has been observed following lithium evaporative coatings and an increase in field strength.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2002

Non-Radiative Shocks in the Cygnus Loop: H2 in HH2 Fluorescence or Collisions?

Far Ultraviolet Spectroscopic Explorer (FUSE) observations at four positions across a faint H-alpha filament in the northern Cygnus Loop were carried out successfully. The O(VI) profiles were measured in the four spectra, and we are in the process of fitting them. We have constructed models for a rippled sheet of emission seen almost edge-on based on non-radiative shock wave models for the time-dependent ionization state of the gas behind the shock. The function that describes the rippled sheet geometry predicts the line-of sight velocity component, and we add thermal broadening for various assumed values of ion-ion and ion-electron equilibration. We then compute the radiative transfer in each of the O(VI) lines along the line of sight. Finally, we multiply by the transmission of the ISM using average O(VI) column densities. So far, it appears that partial thermal equilibration is required. Neither full equilibration nor total lack of equilibration seems to provide a workable model. The HH2 observations have not yet been obtained. FUSE has many targets in this region of the sky. We are hoping to get the observations in the spring if FUSE pointing stability allows.

Raymond, John C.↗

NASA NTRS1980

Rectangular beam (5 X 40 cm multipole ion source)

A 5 x 40 cm rectangular-beam ion source was designed and fabricated. A multipole field configuration was used to facilitate design of the modular rectangular chamber, while a three-grid ion optics system was used for increased ion current densities. For the multipole chamber, a magnetic integral of 0.000056 Tesla-m was used to contain the primary electrons. This integral value was reduced from the initial design value, with the reduction found necessary for discharge stability. The final value of magnetic integral resulted in discharge losses at typical operating conditions which ranged from 600 to 1000 eV/ion, in good agreement with the design value of 800 eV/ion. The beam current density at the ion optics was limited to about 3.2 mA/sq cm at 500 eV and to about 3.5 mA/sq cm at 1000 ev. The effects of nonuniform ion current, dimension tolerance, and grid thermal warping were considered. The use of multiple rectangular-beam ion sources to process wider areas than would be possible with a single source (approx. 40 cm) was also studied. Beam profiles were surveyed at a variety of operating conditions and the results of various amounts of beam overlap calculated.

Haynes, C. M.↗