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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 91 records · Page 5

Vidyut3d: A Gpu Accelerated Fluid Solver for Non-Equilibrium Plasmas on Adaptive Grids

We present the numerical methods, programming methodology, verification, and performance assessment of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures, in this work. Our plasma fluid model solves the coupled conservation equations for species transport, electrostatic Poisson and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive-grid/particle management library, AMReX, and is portable over widely available vendor specific GPU architectures. We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth-order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on capacitive discharges and atmospheric pressure streamer propagation. We demonstrate the use of our solver on two 3D simulation cases: an atmospheric streamer propagation in Ar-H2 mixtures and a low pressure twin electrode radio frequency reactor. Our performance studies on three different CPU+GPU architectures indicate approximately 150-400X speed-up using AMD and NVIDIA GPUs per time step compared to a single CPU core for a 4 million cell simulation with 15 species.

Sitaraman, Hariswaran↗

Nonlinear magnetohydrodynamic modeling of current-drive-induced sawtooth-like crashes in the W7-X stellarator

Sawtooth-like core electron temperature crashes have been observed in W7-X experiments with electron cyclotron current drive. Here we present nonlinear single-fluid magnetohydrodynamic simulations of this phenomenon using the newly developed stellarator modeling capability of the M3D-C 1 code. The near-axis current drive gives rise to two ι = 1 resonances in the equilibrium rotational transform profile so that two consecutive (1, 1) internal kink modes are seen in the simulations. A small-amplitude crash at the inner resonance occurs first, which may correspond to the sawtooth precursors observed in the experiments. A bigger crash at the outer resonance then flattens the core temperature profile, which shows semi-quantitative agreements with experimental measurements on certain metrics such as the crash amplitude and the inversion radius of the temperature change. These results illustrate a likely mechanism of the current-drive-induced sawtooth-like crashes in W7-X and, to some extent, validate the stellarator modeling capability of M3D-C 1 .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Layer pseudospin magnetism in a transition metal dichalcogenide double-moiré system

Spontaneous order of layer pseudospins in two-dimensional bilayers is common in quantum Hall systems, where it is responsible for hysteretic responses to gate fields in states with Ising order and giant drag voltages in states with XY (spontaneous interlayer phase coherence) order. In this article we predict that layer pseudospin order will also occur in double-moiré strongly correlated two-dimensional electron systems. Here, we comment on similarities and differences in the competition between the two types of order in quantum Hall and double-moiré systems, and relate our findings to previous work on Falicov-Kimball models of electronic ferroelectrics.

36 MATERIALS SCIENCE↗

Coupled heat pulse propagation in two-fluid plasmas

Because of the large mass differences between electrons and ions, the heat diffusion in electron-ion plasmas exhibits more complex behavior than simple heat diffusion found in typical gas mixtures. In particular, heat is diffused in two distinct, but coupled, channels. Conventional single fluid models neglect the resulting complexity, and can often inaccurately interpret the results of heat pulse experiments. However, by recognizing the sensitivity of the electron temperature evolution to the ion diffusivity, not only can previous experiments be interpreted correctly, but informative simultaneous measurements can be made of both ion and electron heat channels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hybrid-VPIC: An open-source kinetic/fluid hybrid particle-in-cell code

Hybrid-VPIC is an extension of the open-source high-performance particle-in-cell (PIC) code VPIC incorporating hybrid kinetic ion/fluid electron solvers. This paper describes the models that are available in the code and gives an overview of applications of the code to space and laboratory plasma physics problems. Particular choices in how the hybrid solvers were implemented are documented for reference by users. A few solutions for handling numerical complications particular to hybrid codes are also described. Finally, special emphasis is given to the computationally taxing problem of modeling mix in collisional high-energy-density regimes, for which more accurate electron fluid transport coefficients have been implemented for the first time in a hybrid PIC code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Temporal evolution of the light emitted by a thin, laser-ionized plasma source

We present an experimental and simulation-based investigation of the temporal evolution of light emission from a thin, laser-ionized helium plasma source. We demonstrate an analytic model to calculate the approximate scaling of the time-integrated, on-axis light emission with the initial plasma density and temperature, supported by the experiment, which enhances the understanding of plasma light measurement for plasma wakefield accelerator (PWFA) plasma sources. Our model simulates the plasma density and temperature using a split-step Fourier code and a particle-in-cell code. A fluid simulation is then used to model the plasma and neutral density, and the electron temperature as a function of time and position. We then show the numerical results of the space-and-time-resolved light emission and that collisional excitation is the dominant source of light emission. We validate our model by measuring the light emitted by a laser-ionized plasma using a novel statistical method capable of resolving the nanosecond-scale temporal dynamics of the plasma light using a cost-effective camera with microsecond-scale timing jitter. This method is ideal for deployment in the high radiation environment of a particle accelerator that precludes the use of expensive nanosecond-gated cameras. Our results show that our models can effectively simulate the dynamics of a thin, laser-ionized plasma source. In addition, this work provides a detailed understanding of the plasma light measurement, which is one of the few diagnostic signals available for the direct measurement of PWFA plasma sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hamiltonian kinetic-Hall magnetohydrodynamics with fluid and kinetic ions in the current and pressure coupling schemes

We present two generalized hybrid kinetic-Hall magnetohydrodynamics (MHD) models describing the interaction of a two-fluid bulk plasma, which consists of thermal ions and electrons, with energetic, suprathermal ion populations described by Vlasov dynamics. The dynamics of the thermal components are governed by standard fluid equations in the Hall MHD limit with the electron momentum equation providing an Ohm's law with Hall and electron pressure terms involving a gyrotropic electron pressure tensor. The coupling of the bulk, low-energy plasma with the energetic particle dynamics is accomplished through the current density (current coupling scheme; CCS) and the ion pressure tensor appearing in the momentum equation (pressure coupling scheme; PCS) in the first and the second model, respectively. The CCS is a generalization of two well-known models, because in the limit of vanishing energetic and thermal ion densities, we recover the standard Hall MHD and the hybrid kinetic-ions/fluid-electron model, respectively. This provides us with the capability to study in a continuous manner, the global impact of the energetic particles in a regime extending from vanishing to dominant energetic particle densities. The noncanonical Hamiltonian structures of the CCS and PCS, which can be exploited to study equilibrium and stability properties through the energy-Casimir variational principle, are identified. As a first application here, we derive a generalized Hall MHD Grad–Shafranov–Bernoulli system for translationally symmetric equilibria with anisotropic electron pressure and kinetic effects owing to the presence of energetic particles using the PCS.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development, Implementation, and Verification of Partially-Ionized Collisional Multifluid Plasma Models in Drekar

We consider the development of multifluid models for partially ionized multispecies plasmas. The models are composed of a standard set of five-moment fluid equations for each species plus a description of electromagnetics. The most general model considered utilizes a full set of fluid equations for each charge state of each atomic species, plus a set of fluid equations for electrons. The fluid equations are coupled through source terms describing electromagnetic coupling, ionization, recombination, charge exchange, and elastic scattering collisions in the low-density coronal limit. The form of each of these source terms is described in detail, and references for required rate coefficients are identified for a diverse range of atomic species. Initial efforts have been made to extend these models to incorporate some higher-density collisional effects, including ionization potential depression and three- body recombination. Some reductions of the general multifluid model are considered. First, a reduced multifluid model is derived which averages over all of the charge states (including neutrals) of each atomic species in the general multifluid model. The resulting model maintains full consistency with the general multifluid model from which it is derived by leveraging a quasi-steady-state collisional ionization equilibrium assumption to recover the ionization fractions required to make use of the general collision models. Further reductions are briefly considered to derive certain components of a single-fluid magnetohydrodynamics (MHD) model. In this case, a generalized Ohm's law is obtained, and the standard MHD resistivity is expressed in terms of the collisional models used in the general multifluid model. A number of numerical considerations required to obtain robust implementations of these multifluid models are discussed. First, an algebraic flux correction (AFC) stabilization approach for a continuous Galerkin finite element discretization of the multifluid system is described in which the characteristic speeds used in the stabilization of the fluid systems are synchronized across all species in the model. It is demonstrated that this synchronization is crucial in order to obtain a robust discretization of the multifluid system. Additionally, several different formulations are considered for describing the electromagnetics portion of the multifluid system using nodal continuous Galerkin finite element discretizations. The formulations considered include a parabolic divergence cleaning method and an implicit projection method for the traditional curl formulation of Maxwell's equations, a purely- hyperbolic potential-based formulation of Maxwell's equations, and a mixed hyperbolic-elliptic potential-based formulation of Maxwell's equations. Some advantages and disadvantages of each formulation are explored to compare solution robustness and the ease of use of each formulation. Numerical results are presented to demonstrate the accuracy and robustness of various components of our implementation. Analytic solutions for a spatially homogeneous damped plasma oscillation are derived in order to verify the implementation of the source terms for electromagnetic coupling and elastic collisions between fluid species. Ionization balance as a function of electron temperature is evaluated for several atomic species of interest by comparing to steady-state calculations using various sets of ionization and recombination rate coefficients. Several test problems in one and two spatial dimensions are used to demonstrate the accuracy and robustness of the discretization and stabilization approach for the fluid components of the multifluid system. This includes standard test problems for electrostatic and electromagnetic shock tubes in the two-fluid and ideal shock-MHD limits, a cylindrical diocotron instability, and the GEM challenge magnetic reconnection problem. A one-dimensional simplified prototype of an argon gas puff configuration as deployed on Sandia's Z-machine is used as a demonstration to exercise the full range of capabilities associated with the general multifluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Molecular Mass Growth Processes to Polycyclic Aromatic Hydrocarbons through Radical–Radical Reactions Exploiting Photoionization Reflectron Time-of-Flight Mass Spectrometry

Polycyclic aromatic hydrocarbons (PAHs) represent critical building blocks in molecular mass growth processes to carbonaceous nanoparticles, referred to as interstellar and circumstellar grains along with soot particles in astrophysical environments and combustion systems, respectively. Recent advancements on elucidating elementary steps to PAHs have utilized reactions of aromatic radicals, resonantly stabilized free radicals, and aliphatic radicals with closed shell hydrocarbons. However, the role of radical–radical reactions (RRRs) leading to PAHs has remained largely unexplored on the molecular level due to preceding experimental challenges in producing sufficiently high number densities of radical reactants for isomer-selective detection of products from bimolecular and termolecular reactions. This Account offers the latest developments in our knowledge on the mechanisms and pathways to PAHs via RRRs probed in a chemical microreactor at temperatures as high as 1600 K. Product preservation in a molecular beam coupled with synchrotron vacuum ultraviolet photoionization reflectron time-of-flight mass spectrometry and photoelectron photoion coincidence spectroscopy enabled isomer-selective detection of PAHs of up to three rings by their photoionization efficiency curves, which were fit with a linear combination of reference curves for identification. Experiments were combined with computational fluid dynamics modeling of the physicochemical processes in the microreactor, as well as high-level electronic structure calculations to reveal the reaction pathways of each system. Six distinct reaction mechanisms were discovered in this work: propargyl addition─benzannulation (PABA), methyl addition─ring expansion (MARE), cyclopentadienyl addition─naphthylization (CPAN), fulvenallenyl addition─cyclization─aromatization (FACA), benzyl addition─aromatization (BAA), and phenyl addition─pentacyclization (PAP). By systematically varying the number of carbon atoms in the radical reactants, molecular mass growth processes involving reactions between radicals with odd numbers of carbon atoms access aromatics carrying one, two, or three six-membered rings, whereas reactions between even- and odd-carbon-numbered radicals produce aromatics combining five- and six-membered rings. Our investigations reveal unconventional cycloadditions on excited state triplet surfaces, additions of radicals to low spin density carbon-centered radicals, spiroaromatic and fulvene-type intermediates, and highly strained bicyclic reaction intermediates, challenging current perceptions of PAH molecular mass growth processes. All of the listed mechanisms, except for FACA, feature endoergic reactions or barriers which lie above the separated reactants and therefore might be central to circumstellar environments of carbon-rich stars and planetary nebulae as their descendants, but they play no role in the gas phase of cold molecular clouds where temperatures as low as 10 K dominate. Altogether, this work provides detailed reaction mechanisms of PAH growth processes, advancing our knowledge of the chemistry of carbonaceous matter in the universe.

Addition reactions↗

A Summary of the UCLA HANE-Laser Experiment: 2011-2020

In the early years of this century, there was renewed interest at DTRA in artificial radiation belts, the dynamics of high altitude nuclear explosions that produced them, the development of large-scale kinetic plasma computer models at LLNL and LANL (particularly in the form of “hybrid” {i.e., particle ions, massless fluid electrons} algorithms), and the building of a laser facility at UCLA, under the direction of Prof. Niemann, which was connected to the Large Plasma Device (LAPD), a DOE user facility. These advances sparked the idea for a new laser experimental program to examine early-time HANE issues, reviving the concept from a former program at NRL in the 90’s. The basic motivation for this new effort can be traced back to the first DTRA artificial radiation belt workshop at Stanford in 2009. Subsequent discussions then led to a formal proposal from UCLA that was submitted to DTRA (Grant Jones) in 2010, vigorously reviewed, and finally approved in 2011, with funding begun in 2012. An historical perspective of this development process was presented at a DTRA review last year. In this document we review and summarize the major achievements of the DTRA-sponsored UCLA HANE-laser experiment over the past eight years. Our purpose is to briefly describe the major achievements of this program, as documented in the included extensive list of journal publications [which does not include all the publications nor any of the many invited and contributed presentations of the UCLA group], the role of the national laboratories in this effort, and how this work has impacted (and will continue to improve) our understanding of high altitude nuclear events.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Minimal one-dimensional model of bad metal behavior from fast particle-hole scattering

A strongly interacting plasma of linearly dispersing electron and hole excitations in two spatial dimensions (2D), also known as a Dirac fluid, can be captured by relativistic hydrodynamics and shares many universal features with other quantum critical systems. Here, we propose a one-dimensional (1D) model to capture key aspects of the 2D Dirac fluid while including lattice effects and being amenable to nonperturbative computation. When interactions are added to the Dirac-like 1D dispersion without opening a gap, we show that this kind of irrelevant interaction is able to preserve Fermi-liquid-like quasiparticle features while relaxing a zero-momentum charge current via collisions between particle-hole excitations, leading to resistivity that is linear in temperature via a mechanism previously discussed for large-diameter metallic carbon nanotubes. We further provide a microscopic lattice model and obtain numerical results via density-matrix renormalization group simulations, which support the above physical picture. The limits on such fast relaxation at strong coupling are of considerable interest because of the ubiquity of bad metals in experiments.

1-dimensional systems↗

Nonlinear modeling of the scaling law for the m/n = 3/2 error field penetration threshold

The scaling law for the m/n=3/2 error field (EF) penetration threshold is predicted numerically based on nonlinear single-fluid and two-fluid modeling using the TM1 code. The simulated penetration threshold of radial magnetic field b r at the plasma edge is scaled to the electron density n e , temperature T e , viscous time τ μ , toroidal field B t and the natural frequency ω in the form of b r /B t ∝n e αn T e αT τ μ αμ B t αB ω αω by scanning these parameters separately. Here, α n , α T , α μ , α B and α ω are the scaling coefficients on n e , T e , τ μ , B t and ω, respectively. Single-fluid modeling shows that the 3/2 EF threshold scales as b r /B t ∝n e 0.56 T e 0.6 τ μ -0.59 B t -1.15 ω, which is similar with the analytical scaling law in both the Rutherford and visco-resistive regimes. Yet, two-fluid modeling shows that the scaling law differs significantly in particular regarding the dependence on plasma rotation. In detail, the scaling coefficient α n on density decreases from 0.67 to 0.56 and α T on temperature decreases from 0.67 to 0.32, while α μ on viscous time is around -0.45 and α B on toroidal field decreases slightly from -1.15 to -1, when the ratio |ω E /ω *e | between plasma rotation frequency ω E and diamagnetic drift frequency ω *e varies from 0 to 10. Scans of the plasma rotation reveals that the penetration threshold linearly depends on the perpendicular rotation frequency (or natural frequency) ω ⊥e =ω E +ω *e , and there is a minimum in the required field amplitude when ω ⊥e 0. In addition, the enduring mystery of non-zero penetration threshold at zero plasma natural frequency in EF experiments is resolved by two-fluid simulations. We report that the very small island and smooth bifurcation in EF penetration near zero frequency is hard to detect in the experiment, leading to a finite penetration threshold within the capability of the experimental measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Partitioning of Complex Fluids at Mineral Surfaces

This report summarizes the results obtained during the LDRD project entitled "Partitioning of Complex Fluids at Mineral Interfaces." This research addressed fundamental aspects of such interfaces, which are relevant to energy-water applications in the subsurface, including fossil energy extraction and carbon sequestration. This project directly addresses the problem of selectivity of complex fluid components at mineral-fluid interfaces, where complex fluids are defined as a mixture of hydrophobic and hydrophilic components: e.g., water, aqueous ions, polar/nonpolar organic compounds. Specifically, this project investigates how adsorption selectivity varies with surface properties and fluid composition. Both experimental and molecular modeling techniques were used to better understand trends in surface wettability on mineral surfaces. The experimental techniques spanned the macroscale (contact angle measurements) to the nanoscale (cryogenic electronic microscopy and vibrational spectroscopy). We focused on an anionic surfactant and a well-characterized mineral phase representative of clay phases present in oil- and gas-producing shale deposits. Collectively, the results consistently demonstrate that the presence of surfactant in the aqueous fluid significantly affects the mineral-fluid interfacial structure. Experimental and molecular modeling results reveal details of the surfactant structure at the interface, and how this structure varies with surfactant coverage and fluid composition.

04 OIL SHALES AND TAR SANDS↗

Quantifying electron transport in aggregated colloidal suspensions in the strong flow regime

Electron transport in complex fluids, biology, and soft matter is a valuable characteristic in processes ranging from redox reactions to electrochemical energy storage. These processes often employ conductor–insulator composites in which electron transport properties are fundamentally linked to the microstructure and dynamics of the conductive phase. While microstructure and dynamics are well recognized as key determinants of the electrical properties, a unified description of their effect has yet to be determined, especially under flowing conditions. In this work, the conductivity and shear viscosity are measured for conductive colloidal suspensions to build a unified description by exploiting both recent quantification of the effect of flow-induced dynamics on electron transport and well-established relationships between electrical properties, microstructure, and flow. These model suspensions consist of conductive carbon black (CB) particles dispersed in fluids of varying viscosities and dielectric constants. In a stable, well-characterized shear rate regime where all suspensions undergo self-similar agglomerate breakup, competing relationships between conductivity and shear rate were observed. To account for the role of variable agglomerate size, equivalent microstructural states were identified using a dimensionless fluid Mason number, Mn f , which allowed for isolation of the role of dynamics on the flow-induced electron transport rate. At equivalent microstructural states, shear-enhanced particle–particle collisions are found to dominate the electron transport rate. This work rationalizes seemingly contradictory experimental observations in literature concerning the shear-dependent electrical properties of CB suspensions and can be extended to other flowing composite systems.

Science & Technology - Other Topics↗

Pair plasma instability in homogeneous magnetic guide fields

Pair plasmas, collections of both matter and antimatter particles of equal mass, represent a paradigm for the study of basic plasma science, and many open questions exist regarding these unique systems. They are found in many astrophysical settings, such as gamma-ray bursts, and have recently also been produced in carefully designed laboratory experiments. A central research topic in plasma physics is instability; however, unlike their more common ion–electron siblings, pair plasmas are generally thought to be stable to cross field pressure gradients in homogeneous magnetic fields. It is shown here by means of kinetic full-f simulations that, when a pressure gradient is first established, the Gradient-driven Drift Coupling mode is destabilized and becomes turbulent. Force balance is eventually achieved by a combination of flattened pressure profiles due to turbulent transport and establishment of a magnetic field gradient, saturating the growth. During the unstable phase, key physics can be captured by a δf gyrokinetic description, where it is shown analytically and numerically that parallel particle motion results in a coupling of all electromagnetic field components. A fluid model derived therefrom accurately predicts linear eigenmodes and is used to resolve global profile effects. For laser-based electron–positron plasma experiments, prompt instability is predicted with growth times much shorter than plasma lifetimes. Similarly, growth rates are calculated for the planned APEX experiment as well as gamma-ray burst scenarios, suggesting that the instability may contribute to the early evolution of these systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Vortex splitting in two-dimensional fluids and non-neutral electron plasmas with smooth vorticity profiles

Initially, elliptical, quasi-two-dimensional (2D) fluid vortices can split into multiple pieces if the aspect ratio is sufficiently large due to the growth and saturation of perturbations known as Love modes on the vortex edge. Presented here are experiments and numerical simulations, showing that the aspect ratio threshold for vortex splitting is significantly higher for vortices with realistic, smooth edges than that predicted by a simple “vortex patch” model, where the vorticity is treated as piecewise constant inside a deformable boundary. The experiments are conducted by exploiting the E × B drift dynamics of collisionless, pure electron plasmas in a Penning–Malmberg trap, which closely model 2D vortex dynamics due to an isomorphism between the Drift–Poisson equations describing the plasmas and the Euler equations describing ideal fluids. The simulations use a particle-in-cell method to model the evolution of a set of point vortices. The aspect ratio splitting threshold ranges up to about twice as large as the vortex patch prediction and depends on the edge vorticity gradient. This is thought to be due to spatial Landau damping, which decreases the vortex aspect ratio over time and, thus, stabilizes the Love modes. Near the threshold, asymmetric splitting events are observed in which one of the split products contains much less circulation than the other. These results are relevant to a wide range of quasi-2D fluid systems, including geophysical fluids, astrophysical disks, and drift-wave eddies in tokamak plasmas.

Physics↗

Single-Phase Dielectric Fluid Thermal Management for Power-Dense Automotive Power Electronics

This paper describes the design and performance of a dielectric fluid cooling concept for automotive power electronics. The concept combines a low-thermal-resistance package (which eliminates metalized ceramic substrates) with a high-performance convective cooling strategy (slot jets impinging on finned surfaces). Modeling was first used to design the cooling system to maximize thermal performance and minimize pumping power. Additionally, a prototype was then fabricated, and experiments were conducted to validate the model predictions using three fluids at various fluid flow rates (16.7 cm 3 /s [1 L/min] to 68.3 cm 3 /s [4.1 L/min]) and inlet temperatures (30C and 70C). The final design was compact (120-cm 3 total volume, including heat exchanger and conceptual power modules) and cooled 12 devices (e.g., silicon carbide). The validated model was then used to predict the junction-to-fluid thermal resistance and pumping power for various conditions, including 40C fluid temperature. The results predict thermal resistance values as low as 19 mm 2 K/W are possible using the dielectric fluid cooling approach. The dielectric fluid cooling system is predicted to provide thermal resistance and pumping power values that are approximately 56% and 90% lower, respectively, compared to an automotive power electronics cooling system.

30 DIRECT ENERGY CONVERSION↗

A non-neutral generalized Ohm's law model for magnetohydrodynamics in the two-fluid regime

Here, a new non-neutral generalized Ohm's law (GOL) model for atomic plasmas is presented. This model differs from previous models of this type in that quasi-neutrality is not assumed at any point. Collisional effects due to ionization, recombination, and elastic scattering are included, and an expression for the associated plasma conductivity is derived. An initial set of numerical simulations are considered that compare the GOL model to a two-fluid model in the ideal (collisionless) case. The results demonstrate that solutions obtained from the two models are essentially indistinguishable in most cases when the ion–electron mass ratio is within the range of physical values for atomic plasmas. Additionally, some limitations of the model are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗