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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multiple scattering theory for dense plasmas

Dense plasmas occur in stars, giant planets, and in inertial fusion experiments. Accurate modeling of the electronic structure of these plasmas allows for prediction of material properties that can in turn be used to simulate these astrophysical objects and terrestrial experiments. But modeling them remains a challenge. Here we explore the Korringa-Kohn-Rostoker Green's function (KKR-GF) method for this purpose. We find that it is able to predict equation of state in good agreement with other state-of-the-art methods, where they are accurate and viable. In addition, it is shown that the computational cost does not significantly change with temperature, in contrast with other approaches. Moreover, the method does not use pseudopotentials—core states are calculated self consistently. We conclude that KKR-GF is a very promising method for dense plasma simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Effect of insulator surface conditioning on the pinch dynamics and x-ray production of a Ne-filled dense plasma focus

The dense plasma focus (DPF) can be an intense source of x rays, wherein the insulator sleeve strongly dictates the electrical breakdown, which subsequently affects the formation of a plasma sheath and a collapse phase. Experiments on a 25 kJ DPF (operated at 4.4 kJ) are carried out to demonstrate the influence of insulator surface morphology on the pinch structure, dynamics, and x-ray yield using a Ne fill. Two borosilicate insulators are directly compared, one with a smooth finish and the other machined with four circumferential grooves traversing the perimeter of the exterior insulator surface. Comparisons are made through same-shot imaging diagnostics of the evolving plasma sheath during breakdown, rundown, and at the pinch in addition to the time-resolved measurements of emitted x rays via filtered photodiodes. The presence of structures on the insulator sleeve reduces x-ray production across all fill pressures by a factor of 2.8 ± 2.4 on average and reduces the highest x ray producing shots by a factor of 5. ± 1.8. Observations of sheath asymmetry and inhomogeneity at lift-off are observed and correlated with subsequent observations of off-axis radial collapse. Taken together, this suggests that local variations in the insulator surface decrease the spatial uniformity of the sheath, leading to an azimuthally asymmetric focus, reduced electron densities, and, ultimately, degraded x-ray production.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Neutron generation dynamics inside a MA-class dense plasma focus Z-pinch

Dense plasma focii (DPFs) are appealing as energy efficient sources of short pulses of ions, neutrons, and x rays. The output of these sources is expected to scale with input current (I4), but has been shown to drop at the MA level [S. K. H. Auluck, “On the failure of neutron yield scaling in the dense plasma focus,” Phys. Plasmas 30, 080701 (2023)]. New results on the MegaJOuLe Neutron Imaging Radiography DPF showed neutron yield production in agreement with the input current scaling beyond the previously observed drop. This work provides insight into the pinch formation on a DPF and reports on the two different mechanisms leading to neutron generation inside a DPF using a combination of kinetic simulations and experimental data. A combination of particle-in-cell (PIC) and 1D shock theory results are used to describe the pinch formation and disassembly and the corresponding thermonuclear and beam-target mechanisms. The temporal evolution of the pinch column predicted by the PIC simulations shows qualitative agreement with the experimental data from plasma photon emission as well as temporal neutron pulse shapes. In MJ-class DPFs, both thermonuclear and beam-target mechanisms can occur over the course of the implosion and contribute to the total neutron production. Hence the neutron source size of a DPF will change throughout the implosion. Experimental neutron radiographs show the increase in source size as the pinch breaks apart, in agreement with simulation's prediction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Charge state distributions in dense plasmas

Charge state distributions in hot, dense plasmas are a key ingredient in the calculation of spectral quantities like the opacity. However, they are challenging to calculate, as models like Saha–Boltzmann become unreliable for dense, quantum plasmas. Here, we present a new variational model for the charge state distribution, along with a simple model for the energy of the configurations that includes the orbital relaxation effect. Comparison with other methods reveals generally good agreement with average atom-based calculations, the breakdown of the Saha–Boltzmann method, and mixed agreement with a chemical model. We conclude that the new model gives a relatively inexpensive, but reasonably high fidelity method of calculating the charge state distribution in hot dense plasmas, in local thermodynamic equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Efficacy of the radial pair potential approximation for molecular dynamics simulations of dense plasmas

Macroscopic simulations of dense plasmas rely on detailed microscopic information that can be computationally expensive and is difficult to verify experimentally. In this work, we delineate the accuracy boundary between microscale simulation methods by comparing Kohn–Sham density functional theory molecular dynamics (KS-MD) and radial pair potential molecular dynamics (RPP-MD) for a range of elements, temperature, and density. By extracting the optimal RPP from KS-MD data using force matching, we constrain its functional form and dismiss classes of potentials that assume a constant power law for small interparticle distances. Our results show excellent agreement between RPP-MD and KS-MD for multiple metrics of accuracy at temperatures of only a few electron volts. The use of RPPs offers orders of magnitude decrease in computational cost and indicates that three-body potentials are not required beyond temperatures of a few eV. Due to its efficiency, the validated RPP-MD provides an avenue for reducing errors due to finite-size effects that can be on the order of ∼20%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

First Experiments and Radiographs on the MegaJOuLe Neutron Imaging Radiography (MJOLNIR) Dense Plasma Focus

We report a dense plasma focus (DPF) is a relatively compact coaxial plasma gun, which completes its discharge as a Z-pinch. These devices are designed to operate at a variety of scales to produce short (<100 ns) pulses of ions, X-rays, and/or neutrons. LLNL recently constructed and brought into operation a new device, the MegaJOuLe Neutron Imaging Radiography (MJOLNIR) DPF, which is designed for radiography and high-yield operations. This device has been commissioned and has achieved neutron yields of up to 3.8E11 neutrons/pulse at 2.5-MA peak current while operating at up to 1 MJ of stored energy in its original pulsed power configuration. MJOLNIR is equipped with a wide range of diagnostics, including nuclear activation detectors, neutron time-of-flight (nToF) detectors, a fast-framing camera, optical light gates, and a time-gated neutron and X-ray imager. LLNL also runs unique particle-in-cell (PIC) simulations of DPF discharges in the Chicago code and has gained significant insight into the various physical factors that influence neutron yield. MJOLNIR is one of the first DPFs whose design and continual upgrades are heavily influenced by model predictions. In this article, we describe insights from modeling, device operation, and recent results. Comparisons between modeling predictions and measurements, as well as X-ray and neutron images are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Excited-state potentials for modelling dense plasmas from first principles

The modelling of dense plasmas using finite-temperature density functional theory has proven very successful in determining transport properties and the equation of state of systems where quantum many-body effects and correlations play a key role in their structure. Here we show how excited-state projector augmented- wave potentials can be used to extend these calculations to explicitly model core-hole states, allowing for the calculation of the electronic structure of a range of integer charge configurations embedded in a dense plasma environment. Our excited-state potentials show good agreement with all-electron calculations at finite-temperatures, motivating their use as an efficient approach in modelling from first principles both the structure of strongly-coupled non-equilibrium plasmas and their interaction with intense X-rays.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Quantum fluctuations in dense plasma simulations

Molecular dynamics (MD) simulations are a powerful tool for modeling warm and hot dense matter. Density functional theory (DFT) MD simulations are often preferred in dense plasmas in order to accurately model quantum electronic structure. However, DFT-MD simulations neglect interaction effects due to fluctuations in excited states. In this work, we present an MD approach that uses excited state method pseudoatoms to run dense plasma simulations with many different core-electron configurations at classical MD speeds. We also allow for transitions between different configurations in our simulations and find that these fluctuations are especially important for highly excited states. Our results suggest that finite configuration lifetimes that are comparable to the inverse ion plasma frequency need to be accounted for in order to accurately model ion distributions in dense plasma simulations. We also demonstrate that excited state fluctuations have a direct impact on ion plasma microfields, generate different plasma microfields for different excitation levels, and thereby induce absorption–emission line shape asymmetries even in steady-state plasmas.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dense plasma opacity via the multiple-scattering method

The calculation of the optical properties of hot dense plasmas with a model that has self-consistent plasma physics is a grand challenge for high energy density science. Here we exploit a recently developed electronic structure model that uses multiple scattering theory to solve the Kohn-Sham density functional theory equations for dense plasmas. Here we calculate opacities in this regime, validate the method, and apply it to recent experimental measurements of opacity for Cr, Ni, and Fe. Good agreement is found in the quasicontinuum region for Cr and Ni, while the self-consistent plasma physics of the approach cannot explain the observed difference between models and the experiment for Fe.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Effects of screening and pressure ionization on the electron broadening of spectral lines in dense plasmas

Collisions between electrons and radiating atoms broaden spectral absorption and emission lines in dense plasmas. High densities also introduce screening and pressure ionization effects that distort the wave functions of both bound and free electrons. In order to study how dense plasma effects influence the electron broadening of spectral lines, this paper incorporates electron wave functions from an average-atom (AA) model to calculate the linewidth of the B III 2⁢𝑝−2⁢𝑠 transition at 𝑇 = 10 eV for mass densities ranging from 𝜌 = 10 −4 to 0.4⁢ g⁡/cc. The calculation method uses the impact approximation, allowing the linewidth to be written in terms of electron-collision cross sections and an interference term. Compared to an otherwise identical calculation that uses Coulomb free wave functions, the AA method is found to modify both the cross sections and the resulting linewidth at sufficiently high density by introducing screening and pressure-ionized bound states. Screening lowers the cross sections at low energies and near electron excitation thresholds, while pressure-ionized bound states introduce resonances into the continuum. Thus, as the density increases, the relative linewidth between the AA and Coulomb calculations follows a general decrease because of screening, with sharp increases at various intervals due to pressure ionization. Finally, the AA results are also compared with a common approach to introduce screening through the interaction potential and reduced models that use the Bethe formula for the inelastic electron-collision cross sections.

electronic excitation & ionization↗
DOE OSTI2022

Effect of insulator length and fill pressure on filamentation and neutron production in a 4.6 kJ dense plasma focus

Optimization of neutron yields from dense plasma focus devices is a complex multi-faceted challenge that necessitates the prudent selection of mechanical constraints such as the electrode and insulator geometries. Here, the neutron yield is found to significantly depend on the insulator length. As the length of the insulator increases, the exposed anode length traveled by the sheath during the run-down phase decreases. This suggests an increase in the optimal fill pressure with increasing insulator length to maintain the pinch time near peak current. However, in the present study, the opposite trend is observed—the optimal fill pressure for neutron production decreases with increasing insulator length. Optical probing of the sheath from run-down to the pinch reveals significant plasma filamentation with increasing pressure and a dependence of insulator length on filamentation onset. A direct consequence of increased filamentation is a reduction in mass sweeping efficiency, directly quantified as a function of fill pressure for the first time.

Hahn, E. N. (ORCID:0000000223050532)↗
DOE OSTI2022

Collaborative Research: Unravelling the Physics Associated with the Production of Extremely Dense Plasma States of Microscale (Final Report) Nanosecond-pulsed Discharges

The aim of this project is to study and establish the physical mechanisms that contribute to the formation of anomalously dense plasmas in high-pressure nanosecond-pulsed discharges. These discharges have a broad range of applications such as plasma-assisted combustion, plasma flow actuators, biomedical sterilization and exotic materials synthesis. The structure and formation of these discharges, producing high plasma densities of ~10 14 -10 15 cm -3 , are well-studied and understood. Fast-pulsed microscale high-pressure discharges can be driven to even higher densities of > 10 19 cm -3 , approaching warm dense matter conditions. The mechanisms that generate these plasmas have not been understood. Analysis of the warm dense matter state under laboratory conditions is an expensive and non-trivial endeavor. For instance, dense plasmas can be generated by electrical explosions of metal foils and wires. Plasmas generated after the explosion have a short lifetime and often present difficult conditions for diagnostics. Generation of dense plasmas was also achieved during high-voltage nanosecond pulsed discharges when the so-called explosive electron emission is obtained. Unfortunately, this process is very difficult to control for the studies of warm dense matter. In our recent study, we have shown that additional heating of plasma by lasers can further increase the density of plasma and even lead to the fully ionized state. This method, potentially, allows better control of the plasma parameters. In this work, we studied a second stage laser-heated micro-discharge using a self-consistent one-dimensional particle-in-cell Monte Carlo-collision (1D PIC-MCC) model coupled with Maxwell’s equations. We predicted the generation of a fully ionized plasma on the picosecond time scale. However, this model considered the plasma as an ideal gas despite the high pressure and the nearly fully ionized state. The ideal plasma model assumes that the dilute gas approximation is valid, where the inter-particle interactions are negligible. For charged particles this assumption holds as long as the shielded Coulomb potential assumption is valid. For very high plasma densities, this concept breaks down since the Debye sphere surrounding each charged particle no longer contains enough electrons to statistically provide the shielding of the single particle Coulomb interaction potential. At such densities, the plasma can no longer be described as ideal and non-ideal coupling effects need to be considered. In this report, we elucidate our recent work of developing a PIC-MCC model with improvements for non-ideal plasma conditions due to Coulomb coupling at high densities. In particular, we study the interaction of green light radiation and a dense microplasma, and explore the non-ideal plasma effects in this interaction. In this computational model, we implement the two most important non-ideal effects: ionization potential depression (IPD) and enhanced collision cross sections. Our primary goal is to study the physics associated with electromagnetic (EM) wave heating, also called the second-stage wave-heating, and establish the role of plasma non-ideality in this phenomenon. Our secondary goal is to improve the chemistry mechanism of the 1D PIC-MCC model by including a more detailed excited species collision treatment. At high pressures, stepwise ionization from excited species might play an important role in the ionization process. Previously, this ionization mechanism was neglected due to the excitation collision cross section of xenon being smaller than that of ionization. However, a preliminary study showed that the excited species density in the initial microplasma was an order of magnitude higher than the electron density. Therefore, my aim is to determine the significance of this additional ionization pathway to the plasma generation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Unraveling the Physics Associated with the Production of Extremely Dense Plasma States of Microscale Nanosecond-pulsed Discharges

The research carried out on this grant aimed to study the properties of anomalously dense plasmas formed in so-called ”fast” discharges, such as high pressure narrow-gap nanosecond pulsed discharges and short pulse (nanosecond-scale) laser driven discharges. These fast discharges are receiving much attention as they now enable new applications in aerodynamics, combustion, biology, and medicine. The mechanisms that generate these high electron densities (ne > 10 19 cm −3 ) that encroach on warm dense matter regimes are not well understood. Such densities are orders of magnitude higher than those (≈ 10 15 cm −3 ) routinely seen in classical high-pressures (streamer) discharges. Furthermore, the dense plasmas are reported to be highly nonequilibrium, with T gas <<, T i << T e . These properties would place these discharges in a regime of near full ionization (Z ≥ 1) where there is inadequate electron screening and therefore strong ion coupling - physics that is not generally accounted for in simulations. In this project work, we seek to study these fast discharges, validate simulations with experiments at pressures as high as 10-50 bar, and augment plasma production to even higher levels of n e (> 10 20 cm −3 ) with second-stage picosecond laser heating. In parallel, we have studied the use of these fast discharges in reactive gases, unraveling mechanisms related to the fast discharge dissociation of CO 2 .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Probing dense plasmas for HEDS and ICF*

This paper is a retrospective of almost four decades of conceptualization and development of active x-ray probing of dense plasmas, involving multiple teams. In hindsight it was a surprisingly nonlinear and nonsystematic progression, with cycles of key epiphanies followed by multi-step technique optimization, spanning years.Further, each new idea or endeavor, whether or not realized / successful, spawned the next, and not necessarily in order of difficulty. The journey can be summarized by adapting/paraphrasing what Edward Teller said about NIF, that we develop new capabilities precisely because we don't know what those capabilities will enable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Thermal exchange-correlation functionals: Capturing quantum electron behavior in warm, dense plasmas

We summarize and give perspective upon recent progress in developing non-empirical constraint-based thermal (i.e., free energy) exchange-correlation (XC) density functionals essential for accurate description of the quantum behavior of electrons in warm, dense plasmas. After delineating the critical role of ground-state functionals for zero-temperature, time-dependent DFT, we outline the underpinnings of local density approximation, generalized gradient approximation (GGA), and meta-GGA XC free-energy functionals. Two basic thermalization principles for upgrading ground-state XC functionals to successful thermal ones are emphasized. Then, we turn to a long-standing challenge, assessment of the accuracy of well-founded functionals. Unlike the ground state, there are a few exact results for large T and P. An exception is path integral Monte Carlo (PIMC) data for dense H/D and He plasmas. For those, we did ab initio molecular dynamics simulations under selected thermodynamic conditions employing five thermal XC functionals: two approximate thermal GGAs, fully thermal GGA, an approximate meta-GGA, and fully thermal meta-GGA. Comparisons with the PIMC data show that functionals thermalized by augmenting a non-thermal functional with a lower-level thermal contribution are inferior to functionals with thermal XC and spatial inhomogeneity effects taken into account at the same level of refinement. We believe this and similar evidence should be convincing to the high-energy density physics community of the necessity of use of proper thermal XC functionals in simulation studies of finite-temperature quantum effects in warm, dense plasmas.

Ab-initio molecular dynamics↗
DOE OSTI2025

VERITAS : A density-functional theory-based multiband kinetic model for understanding x-ray spectroscopy of dense plasmas

X-ray spectroscopy has long been a powerful diagnostic tool for hot, dilute plasmas, providing insights into plasma conditions by measuring line shifts and broadenings of atomic transitions. The technique critically depends on the accuracy of atomic physics models used to interpret spectroscopic measurements for inferring plasma properties such as free-electron density and temperature. Over the past decades, the atomic and plasma physics communities have developed robust atomic physics models to account for various processes in hot, dilute classical plasmas. While these models have been successful in that regime, their applicability becomes uncertain when interpreting x-ray spectroscopy experiments of above-solid-density plasmas. Given that finite-temperature density-functional theory (DFT) offers a more accurate description of dense plasma environments, we present the development of a DFT-based multi-band kinetic model, VERITAS, designed to improve the interpretation of x-ray spectroscopic measurements in high-density plasmas produced by laser-driven spherical implosions. This work details the VERITAS model and its application to both time-integrated and time-resolved x-ray spectra from implosion experiments on OMEGA. The advantages and limitations of the VERITAS model will also be discussed, along with potential directions for advancing x-ray spectroscopy of dense and superdense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

An implicit particle code with exact energy and charge conservation for electromagnetic studies of dense plasmas

A collisional particle code based on implicit energy- and charge-conserving methods is presented. A modified version of the particle-suppressed Jacobian-Free Newton-Krylov method that can enhance the solver efficiency is introduced. Mathematically, it is shown that this new approach can be viewed as a fixed-point iteration method for the particle positions. The model can exactly conserve global energy and local charge and can efficiently use time steps larger than the plasma period. In conclusion, the algorithm's ability to simulate dense plasmas accurately and efficiently is quantified by simulating the dynamic compression of a plasma slab via a magnetic piston in 1D planar geometry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Investigation of resistive magnetic field generation by intense proton beams in dense plasmas

Current and future applications of intense proton sources abound, including radiography, cancer therapy, warm dense matter generation, and inertial confinement fusion. With increasingly efficient acceleration and focusing mechanisms, proton current densities may soon approach and exceed 10 10 A/cm 2 , e.g., via intense laser drivers. Simulations have previously shown that in this current density regime, beam-induced field generation plays a significant role in beam transport through dense plasmas. Here, we present a theoretical model for the generation of resistive magnetic fields by intense proton beam transport through solid density plasmas. The theoretical evolution of the magnetic field profile is calculated using an analytic model for aluminum resistivity, heat capacity, and stopping power, applicable from cold matter to hot plasma. The effects of various beam and material parameters on the field are investigated and explained for both monoenergetic and Maxwellian proton beams. For a proton beam with Maxwellian temperature 5 MeV and total energy 10 J, the model calculates resistive magnetic fields up to 150 T in aluminum. In conclusion, the calculated field profiles from several beam cases are compared with 2D hybrid particle-in-cell simulations, with good agreement found in magnitude and time scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗