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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Solid-Density Ion Temperature from Redshifted and Double-Peaked Stark Line Shapes

Heβ spectral line shapes are important for diagnosing temperature and density in many dense plasmas. This work presents Heβ line shapes measured with high spectral resolution from solid-density plasmas with minimized gradients. The line shapes show hallmark features of Stark broadening, including quantifiable redshifts and double-peaked structure with a significant dip between the peaks; these features are compared to models through a Markov chain Monte Carlo framework. Line shape theory using the dipole approximation can fit the width and peak separation of measured line shapes, but it cannot resolve an ambiguity between electron density n e and ion temperature T i , since both parameters influence the strength of quasistatic ion microfields. Here a line shape model employing a full Coulomb interaction for the electron broadening computes self-consistent line widths and redshifts through the monopole term; redshifts have different dependence on plasma parameters and thus resolve the n e – T i ambiguity. The measured line shapes indicate densities that are 80–100% of solid, identifying a regime of highly ionized but well-tamped plasma. This analysis also provides the first strong evidence that dense ions and electrons are not in thermal equilibrium, despite equilibration times much shorter than the duration of x-ray emission; cooler ions may arise from nonclassical thermalization rates or anomalous energy transport. Furthermore, the experimental platform and diagnostic technique constitute a promising new approach for studying ion-electron equilibration in dense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations

The quasiparticle band structure can be properly described by Hedin's GW approximation (GW), at a high computational cost. For band gaps, semilocal density functionals up to the generalized gradient approximation (GGA) level cannot compete with the accuracy of hybrid-based approximations or GW. Meta-GGA density functionals with a strong dependence on the kinetic energy density ingredient can potentially give wider band gaps compared with GGAs. The recent TASK meta-GGA density functional from Aschebrock and Kümmel [ Phys. Rev. Research 1 , 033082 (2019) ], is constructed with an enhanced nonlocality in the generalized Kohn-Sham scheme and therefore harbors great opportunities for band gap prediction. Although this approximation was found to yield excellent band gaps of bulk solids, this accuracy cannot be straightforwardly transferred to low-dimensional materials. Additionally, the reduced screening of these materials results in larger band gaps compared with their bulk counterparts, as an additional barrier to overcome. In this paper we demonstrate how the alteration of this functional affects the band gaps of monolayers and nanoribbons and present accurate band gaps competing with the revised Heyd-Scuseria-Ernzerhof (HSE06) approximation. In order to achieve this goal, we have modified the TASK functional (a) by changing the tight upper bound for one- or two-electron systems ( h X 0 ) from 1.174 to 1.29 and (b) by changing the limit of the interpolation function f X ( α → ∞ ) of the TASK functional that interpolates the exchange enhancement factor F X ( s , α ) from α = 0 to 1. The resulting modified TASK (mTASK) was tested for various materials from three dimensions to two dimensions to one dimension (nanoribbons) and was compared with the results of the higher-level hybrid functional HSE06 or with the G 0 W 0 approximation within many-body perturbation theory. We find that mTASK systematically improves the band gaps and band structures of two-dimensional (2D) and 1D systems, without significantly affecting the accuracy of the original TASK for the bulk 3D materials, when compared with the Perdew-Burke-Ernzerhof (PBE) GGA and the strongly constrained and appropriately normed (SCAN) meta-GGA. We further demonstrate the applicability of mTASK by assessing the band structures of transition metal dichalcogenide nanoribbons with respect to various bending curvatures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Finite-range pairing in nuclear density functional theory

Pairing correlations are ubiquitous in low-energy states of atomic nuclei. To incorporate them within nuclear density functional theory, often used for global computations of nuclear properties, pairing functionals that generate nucleonic pair densities and pairing fields are introduced. Many pairing functionals currently used can be traced back to zero-range nucleon-nucleon interactions. Unfortunately, such functionals are plagued by deficiencies that become apparent in large model spaces that contain unbound single-particle (continuum) states. In particular, the underlying computational schemes diverge as the single-particle space increases, and the results depend on how marginally occupied states are incorporated. These problems become more pronounced for pairing functionals that contain gradient-density dependence, such as in the Fayans functional. To remedy this, finite-range pairing functionals are introduced. In this study, this is done by folding the pair density with Gaussians. Here, we show that a folding radius of about 1 fm offers the best compromise between quality and stability, and substantially reduces the pathological behavior in different numerical applications.

Nuclear density functional theory↗
DOE OSTI2017

The Role of Ion Acoustic Instability in the Development of the Azimuthal Current Density Profile in Liner Experiments at 1 MA

Recent work reported on the current density in pulsed-power-driven liners where a vacuum gap was introduced in the power feed connecting the liner to the generator. The resultant gap flashover generates azimuthally localized current-carrying plasma channels, which can create an azimuthal nonuniformity in the current density. The current density evolves during the current pulse, but nonuniformity is observed through the experiment timescale. Magnetohydrodynamic simulation work in 3-D demonstrates the difficulty in reproducing the experimental data within a limited computational domain, and those boundary conditions may dominate this paper. Furthermore, the development of current-driven instabilities in the plasma channels can explain the liner current density evolution, and specifically the ion acoustic instability can account for the main features observed in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of frequency and pulse width on electron density, hydrogen peroxide generation, and perfluorooctanoic acid mineralization in a nanosecond pulsed discharge gas-liquid plasma reactor

Plasma electron density and temperature were characterized in a continuous flowing gas-liquid film reactor with argon carrier gas by time-resolved optical emission spectroscopy. The plasma parameters were studied as a function of time for varying pulse widths and frequencies. Pulse frequency was varied between 1 and 10 kHz at 16 kV (input voltage) and 40 ns (pulse width) using an Eagle Harbor Technologies, Inc. (EHT) power supply and 5–100 kHz using an Airity Technologies, LLC (AT) power supply. The pulse width was varied between 40 and 200 ns at 16 kV, 2 kHz with the EHT power supply. Optimal frequencies of 5 and 20 kHz were observed for peak electron density with EHT and AT power supplies, respectively. The peak electron density increased with increasing pulse width between 40 and 200 ns using the EHT power supply. Hydrogen peroxide exiting the reactor in the liquid phase increased with discharge power irrespective of the power supply or pulse parameters. Mineralization of 12.5, 50, and 200 ppm perfluorooctanoic acid (PFOA) dissolved in DI water to fluoride (F - ) correlated to the peak electron density. Glycerol, a liquid-phase hydroxyl radical scavenger, depleted hydrogen peroxide but did not affect PFOA mineralization. CO, a gas-phase hydroxyl radical scavenger, led to a reduction in the formation of F - production, suggesting hydroxyl radicals in the gas-liquid film play a necessary, but not singular, role in mineralization of PFOA.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

SU-F-T-300: Impact of Electron Density Modeling of ArcCHECK Cylindricaldiode Array On 3DVH Patient Specific QA Software Tool Analysis

Purpose: 3DVH software is a patient specific quality assurance tool which estimates the 3D dose to the patient specific geometry with the help of Planned Dose Perturbation algorithm. The purpose of this study is to evaluate the impact of HU value of ArcCHECK phantom entered in Eclipse TPS on 3D dose & DVH QA analysis. Methods: Manufacturer of ArcCHECK phantom provides CT data set of phantom & recommends considering it as a homogeneous phantom with electron density (1.19 gm/cc or 282 HU) close to PMMA. We performed this study on Eclipse TPS (V13, VMS) & trueBEAM STx VMS Linac & ArcCHECK phantom (SNC). Plans were generated for 6MV photon beam, 20cm×20cm field size at isocentre & SPD (Source to phantom distance) of 86.7 cm to deliver 100cGy at isocentre. 3DVH software requires patients DICOM data generated by TPS & plan delivered on ArcCHECK phantom. Plans were generated in TPS by assigning different HU values to phantom. We analyzed gamma index & the dose profile for all plans along vertical down direction of beam’s central axis for Entry, Exit & Isocentre dose. Results: The global gamma passing rate (2% & 2mm) for manufacturer recommended HU value 282 was 96.3%. Detector entry, Isocentre & detector exit Doses were 1.9048 (1.9270), 1.00(1.0199) & 0.5078(0.527) Gy for TPS (Measured) respectively.The global gamma passing rate for electron density 1.1302 gm/cc was 98.6%. Detector entry, Isocentre & detector exit Doses were 1.8714 (1.8873), 1.00(0.9988) & 0.5211(0.516) Gy for TPS (Measured) respectively. Conclusion: Electron density value assigned by manufacturer does not hold true for every user. Proper modeling of electron density of ArcCHECK in TPS is essential to avoid systematic error in dose calculation of patient specific QA.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Simulation of plasma density evolution in the T-10 tokamak

Analysis of the experimental profiles of the plasma density and pressure in the T-10 tokamak shows that in the plasma core they are close to the corresponding canonical profiles. This allows one to construct an expression for the particle flux in terms of the canonical profile model. T-10 experiments performed with ohmic discharges have revealed transitions from improved to low particle confinement, similar to the effect of the density pump-out from the central part of the plasma upon switching-on of the electron cyclotron resonance heating (ECRH). It is shown that such a change in the particle confinement is associated with the deviation of the radial pressure profile from the canonical one. A nonlinear model of particle transport in discharges with density variations that allows for the transition effects is proposed. The plasma density evolution is numerically simulated for a number of ohmic and ECRH T-10 discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Influence of the electron density on the characteristics of terahertz waves generated under laser–cluster interaction

A theory of generation of terahertz radiation under laser–cluster interaction, developed earlier for an overdense cluster plasma [A. A. Frolov, Plasma Phys. Rep. 42. 637 (2016)], is generalized for the case of arbitrary electron density. The spectral composition of radiation is shown to substantially depend on the density of free electrons in the cluster. For an underdense cluster plasma, there is a sharp peak in the terahertz spectrum at the frequency of the quadrupole mode of a plasma sphere. As the electron density increases to supercritical values, this spectral line vanishes and a broad maximum at the frequency comparable with the reciprocal of the laser pulse duration appears in the spectrum. The dependence of the total energy of terahertz radiation on the density of free electrons is analyzed. The radiation yield is shown to increase significantly under resonance conditions, when the laser frequency is close to the eigenfrequency of the dipole or quadrupole mode of a plasma sphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Simulation of the Plasma Density Evolution during Electron Cyclotron Resonance Heating at the T-10 Tokamak

In ohmically heated (OH) plasma with low recycling, an improved particle confinement (IPC) mode is established during gas puffing. However, after gas puffing is switched off, this mode is retained only for about 100 ms, after which an abrupt phase transition into the low particle confinement (LPC) mode occurs in the entire plasma cross section. During such a transition, energy transport due to heat conduction does not change. The phase transition in OH plasma is similar to the effect of density pump-out from the plasma core, which occurs after electron cyclotron heating (ECH) is switched on. Analysis of the measured plasma pressure profiles in the T-10 tokamak shows that, after gas puffing in the OH mode is switched off, the plasma pressure profile in the IPC stage becomes more peaked and, after the peakedness exceeds a certain critical value, the IPC-LPC transition occurs. Similar processes are also observed during ECH. If the pressure profile is insufficiently peaked during ECH, then the density pump-out effect comes into play only after the critical peakedness of the pressure profile is reached. In the plasma core, the density and pressure profiles are close to the corresponding canonical profiles. This allows one to derive an expression for the particle flux within the canonical profile model and formulate a criterion for the IPC-LPC transition. The time evolution of the plasma density profile during phase transitions was simulated for a number of T-10 shots with ECH and high recycling. The particle transport coefficients in the IPC and LPC phases, as well as the dependences of these coefficients on the ECH power, are determined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Density-Equalizing Maps for Simply Connected Open Surfaces

Here in this paper, we are concerned with the problem of creating flattening maps of simply connected open surfaces in $\mathbb{R}^3$. Using a natural principle of density diffusion in physics, we propose an effective algorithm for computing density-equalizing maps with any prescribed density distribution. By varying the initial density distribution, a large variety of flattening maps with different properties can be achieved. For instance, area-preserving parameterizations of simply connected open surfaces can be easily computed. Experimental results are presented to demonstrate the effectiveness of our proposed method. Applications to data visualization and surface remeshing are explored.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Conversion of poplar biomass into high-energy density tricyclic sesquiterpene jet fuel blendstocks

In an effort to ensure future energy security, reduce greenhouse gas emissions and create domestic jobs, the US has invested in technologies to develop sustainable biofuels and bioproducts from renewable carbon sources such as lignocellulosic biomass. Bio-derived jet fuel is of particular interest as aviation is less amenable to electrification compared to other modes of transportation and synthetic biology provides the ability to tailor fuel properties to enhance performance. Specific energy and energy density are important properties in determining the attractiveness of potential bio-derived jet fuels. For example, increased energy content can give the industry options such as longer range, higher load or reduced takeoff weight. Energy-dense sesquiterpenes have been identified as potential next-generation jet fuels that can be renewably produced from lignocellulosic biomass. We developed a biomass deconstruction and conversion process that enabled the production of two tricyclic sesquiterpenes, epi-isozizaene and prespatane, from the woody biomass poplar using the versatile basidiomycete Rhodosporidium toruloides. We demonstrated terpene production at both bench and bioreactor scales, with prespatane titers reaching 1173.6 mg/L when grown in poplar hydrolysate in a 2 L bioreactor. Additionally, we examined the theoretical fuel properties of prespatane and epi-isozizaene in their hydrogenated states as blending options for jet fuel, and compared them to aviation fuel, Jet A. Our findings indicate that prespatane and epi-isozizaene in their hydrogenated states would be attractive blending options in Jet A or other lower density renewable jet fuels as they would improve viscosity and increase their energy density. Saturated epi-isozizaene and saturated prespatane have energy densities that are 16.6 and 18.8% higher than Jet A, respectively. These results highlight the potential of R. toruloides as a production host for the sustainable and scalable production of bio-derived jet fuel blends, and this is the first report of prespatane as an alternative jet fuel.

09 BIOMASS FUELS↗
DOE OSTI2016

Newberry FORGE: 3D Gravity Density Model for Newberry Volcano

These data are Pacific Northwest National Lab inversions of an amalgamation of two surface gravity datasets: Davenport-Newberry gravity collected prior to 2012 stimulations and Zonge International gravity collected for the project "Novel use of 4D Monitoring Techniques to Improve Reservoir Longevity and Productivity in Enhanced Geothermal Systems" in 2012. Inversions of surface gravity recover a 3D distribution of density contrast from which intrusive igneous bodies are identified. The data indicate a body name, body type, point type, UTM X and Y coordinates, Z data is specified as meters below sea level (negative values then indicate elevations above sea level), thickness of the body in meters, suscept, density anomaly in g/cc, background density in g/cc, and density in g/cc. The model was created using a commercial gravity inversion software called ModelVision 12.0 (http://www.tensor-research.com.au/Geophysical-Products/ModelVision). The initial model is based on the seismic tomography interpretation (Beachly et al., 2012). All the gravity data used to constrain this model are on the GDR: https://gdr.openei.org/submissions/760.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

Relative importance of social factors, conspecific density, and forest structure on space use by the endangered Red-cockaded Woodpecker: A new consideration for habitat restoration

Understanding how the interplay between social behaviors and habitat structure influences space use is important for conservation of birds in restored habitat. We integrated fine-grained LiDAR-derived habitat data, spatial distribution of cavity trees, and spatially explicit behavioral observations in a multi-scale model to determine the relative importance of conspecific density, intraspecific interactions, and the distribution of cavities on space use by Red-cockaded Woodpeckers (Picoides borealis) on 2 sites in South Carolina, USA. We evaluated candidate models using information theoretic methods. Top scale-specific models included effects of conspecific density and number of cavity tree starts within 200 m of Red-cockaded Woodpecker foraging locations, and effects of the number of intraspecific interactions within 400 m of Red-cockaded Woodpecker foraging locations. The top multi-scale model for 22 of 34 Red-cockaded Woodpecker groups included covariates for the number of groups within 200 m of foraging locations and LiDARderived habitat with moderate densities of large pines (Pinus spp.) and minimal hardwood overstory. These results indicate distribution of neighboring groups was the most important predictor of space use once a minimal set of structural habitat thresholds was reached, and that placing recruitment clusters as little as 400 m from foraging partitions of neighboring groups may promote establishment of new breeding groups in unoccupied habitat. The presence of neighboring groups likely provides cues to foraging Red-cockaded Woodpeckers that facilitate prospecting prior to juvenile dispersal and, to a lesser extent, indicates high-quality forage resources. Careful consideration of local distribution of neighboring groups in potential habitat may improve managers’ ability to increase Red-cockaded Woodpecker density on restored landscapes and mitigate isolation of Red-cockaded Woodpecker groups, a problem that negatively affects fitness across the species’ range.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Uncertainty for Part Density Determination: An Update

Accurate and precise density measurements by hydrostatic weighing requires the use of an analytical balance, configured with a suspension system, to both measure the weight of a part in water and in air. Additionally, the densities of these liquid media (water and air) must be precisely known for the part density determination. To validate the accuracy and precision of these measurements, uncertainty statements are required. The work in this report is a revision of an original report written more than a decade ago, specifically applying principles and guidelines suggested by the Guide to the Expression of Uncertainty in Measurement (GUM) for determining the part density uncertainty through sensitivity analysis. In this work, updated derivations are provided; an original example is revised with the updated derivations and appendix, provided solely to uncertainty evaluations using Monte Carlo techniques, specifically using the NIST Uncertainty Machine, as a viable alternative method.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

A New Plasma Radar Concept for Simultaneous Magnetic and Density Measurements

An innovative, compact 288GHz interferometer has been fabricated, tested, installed and successfully demonstrated on the LAPD-U magnetized plasma at UCLA. The system takes advantage of frequency modulated (FM) radar techniques to deliver a compact heterodyne system. In addition, the reflected power from the source is taken advantage of to eliminate the need for additional quasi-optical components. Electron density in LAPD-U plasma has recently been increased substantially thereby requiring a higher frequency/shorter wavelength interferometer to avoid deleterious refractive effects. This system satisfies those needs. The system uses a 96GHz varactor tuned Gunn oscillator which passes to a passive tripler. This tripler has ~3% conversion efficiency. The 288GHz radiation is then coupled to free space using a so-called dual-mode or Pickett horn. The output 288GHz beam is then coupled to an aspheric lens manufactured from low-loss, high-density polyethylene. This lens is employed to collimate the emerging beam. Small axial adjustment of the lens position can also be used to create a slowly focusing beam so as to optimize the measured signal. In addition, up-down or side-to-side adjustment of the lens can be utilized to steer the beam vertically or horizontally – again to optimize alignment. The propagating beam passes through a beam splitter and then through a water-free, bubble-free fused quartz window into the LAPD-U vacuum vessel. The beam-splitter is a thin sheet of G10 which reflects a small fraction of the incident power (~5 %) towards a zero-bias detector optimized for the frequency range from 220 to 300GHz. Note that waveguides at this frequency have dimensions of ~0.9mm x 0.45mm and so have very large conductive losses. This drives the use of quasi-optical propagation. The detector requires no DC bias and is very responsive (> 1V/mW into 1MΩ). Radiation is coupled to the detector via a similar lens-horn arrangement used for the launch. This reflected beam acts as the local oscillator or reference millimeter-wave beam for the detector. The remainder of the launched source beam then enters the LAPD-U vacuum vessel and passes through the plasma at the mid-plane until reaching the opposing port which is closed off with an aluminum flange. This flange is used as a mirror to retroreflect the incident 288GHz beam back along its path. The retroreflected beam exits the input port but does NOT couple directly into the zero-bias detector. Instead, the majority of the return power continues towards the 288GHz source. As mentioned above the transmitted beam enters the source a second time. This would appear undesirable. However, at these frequencies multipliers are highly non-linear elements which results in a significant portion of the return beam (~20%) re-emerging from the multiplier and horn and then coupling via the G10 beam-splitter to the zero-bias detector. This approach eliminated the need for a second quasi-optical beam-splitter. The system is extremely compact measuring approximately 28 inches x 20 inches. The above did not explain how heterodyne operation was achieved. As mentioned above the Gunn oscillator is able to be varactor tuned. This allows a low voltage to be applied to control the operating frequency of the Gunn oscillator. During heterodyne operation a sawtooth shaped voltage is applied to the varactor at 750kHz using an 80MHz Arbitrary Waveform Generator (AWG). This voltage changes the Gunn frequency linearly during the up-sweep which is then reset abruptly at the sawtooth crash to be immediately followed by another linear sweep. Passage through the 288GHz multiplier triples the frequency change experienced by the electromagnetic wave. These frequency changes are small – tens of megahertz. This FM radar approach results in the launched electromagnetic wave frequencies at the detector for the reference and plasma wave to be different. The approximately 10 ns delay propagation delay for the plasma beam results in the local oscillator and plasma beams NOT having an identical frequency – there is in fact a fixed difference frequency. The frequency tuning level of the Gunn oscillator is then adjusted so that there is ONE cycle of this difference frequency during each linear ramp. During the sawtooth crash or downward re-sweep this one cycle replays in reverse but on a very fast timescale. The process then repeats. Low-pass filtering eliminates the fast re-sweep to leave a pure sine wave heterodyne signal. When the plasma is present it introduces a phase delay in the sine wave (caused by the extremely small Doppler shift resulting from the optical path length change). Of course, to measure this phase change we need a reference. This is simply obtained from an arbitrary waveform generator which provides a synchronized output pulse train which again is low pass filtered to obtain a 750kHz sinusoidal voltage reference for the interferometer. The interferometer was installed on LAPD-U where it has worked reliably and has established that electron densities exceeding 1x10 13 cm -3 are routinely achieved. In addition, the system sensitivity was able to easily observe density fluctuation at frequencies up to 50kHz. FM Radar techniques have enabled a full demonstration of a compact, sensitive, high frequency (288GHz/1mm) heterodyne interferometer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Predicting magnetic properties of single-molecule magnets from self-interaction-free density-functional theory (Final Report)

In this project we investigated electronic structure of an intermediate-sized copper-based molecule and magnetic and hyperfine properties of several small non-magnetic and magnetic molecules including transition-metal elements by applying self-interaction corrections to density functional theory (DFT). In a sufficient number of cases, DFT-calculated electronic structure and magnetic properties of single-molecule magnets qualitatively differ from corresponding experimental data. This is partly due to self-interacting electrons within the DFT formalism. Recently, an efficient method to correct the self-interactions was proposed, i.e., Fermi-Lowdin prbital (FLO) based self-interaction corrected (SIC) methodology, within DFT. Henceforth, this method is referred to as FLO-SIC method which exists in FLOSIC code. We used this FLO-SIC method for our studies of electronic structure and magnetic and hyperfine properties of small magnetic molecules and non-magnetic molecules. Our study will provide insight into predictions of magnetic properties of single-molecule magnets where self-interaction corrections play a critical role. There are two components of this project. In the first work, we studied the electronic structure of a planar mononuclear Cu-based molecule in two oxidation states, using DFT with the FLO-SIC method. We chose this system because it is small enough and it includes a transition metal element. We found that the standard FLO-SIC method takes too much compute time even for the small transition-metal molecule and so we slightly modified the method in order to expedite the process. In the dianionic state, we found that the FLO-SIC spin density agrees quantitatively with accurate quantum chemistry methods, while DFT spin density without self-interaction corrections are severely deviated from the quantum chemistry methods. We also showed that the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the dianionic state is larger than that of the monoanionic state. This result is consistent with experimental data. In the second work, we investigated how the interaction between the electron spin and nuclear spin is affected by electron self-interactions within small non-magnetic and magnetic molecules. Such an interaction is called hyperfine interaction. For molecules without significant orbital angular momentum, the hyperfine interaction consists of Fermi contact and dipolar interaction terms. Since the Fermi contact term depends on electron spin density at the nuclear site, it would be highly affected by self-interaction corrections. Therefore, we calculated the hyperfine interaction for the small molecules using DFT with the slightly modified expedited FLO-SIC method which was obtained in the first work, and compared the results to experimental data and DFT calculations without self-interaction corrections. We found significant improvement of the Fermi contact term computed using the FLO-SIC method for small magnetic molecules. Overall, the first and second work provided positive outlook of application of the FLO-SIC method to magnetic molecules and systems including transition-metal elements.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Editorial: Using high energy density plasmas for nuclear experiments relevant to nuclear astrophysics

Thermonuclear reaction rates and nuclear processes have traditionally been explored by means of accelerator experiments, which are difficult to execute at conditions relevant to nucleosynthesis. High energy density (HED) plasmas generated using lasers, such as the inertial confinement fusion (ICF) platform, more closely mimic astrophysical environments in several ways, including with thermal distributions of reacting ions as opposed to mono-energetic ions impinging on a cold target; stellar-relevant plasma temperatures and densities; and neutron flux densities not found anywhere else on earth. The most extreme conditions can currently be achieved at the National Ignition Facility (NIF) laser in the US, where densities of 10 3 g/cm 3 and neutron fluxes up to 5∙10 27 neutrons/cm/s have been demonstrated over a time period of a few tens of picoseconds. The HED platform is emerging as an interesting complement to accelerator experiments.

charged-particle-induced reactions↗
DOE OSTI2023

Modeling of the cold electron plasma density for radiation belt physics

This review focusses strictly on existing plasma density models, including ionospheric source models, empirical density models, physics-based and machine-learning density models. This review is framed in the context of radiation belt physics and space weather codes. The review is limited to the most commonly used models or to models recently developed and promising. A great variety of conditions is considered such as the magnetic local time variation, geomagnetic conditions, ionospheric source regions, radial and latitudinal dependence, and collisional vs. collisionless conditions. These models can serve to complement satellite observations of the electron plasma density when data are lacking, are for most of them commonly used in radiation belt physics simulations and can improve our understanding of the plasmasphere dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗