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We describe recent work at NIST to develop and maintain databases for spectra, transition probabilities, and energy levels of atoms that are astrophysically important. Our programs to critically compile these data as well as to develop a new database to compare plasma calculations for atoms that are not in local thermodynamic equilibrium are also summarized.
Test facility for simulating thermodynamic environments of planetary atmospheric entry
This study proposes a graded structure via additive manufacturing for divertor and first wall blanket applications in fusion reactors. Materials were selected based on thermodynamic calculations to operate from 1100 °C at the plasma-facing level to 550 °C at the structural steel level. Conventional joining methods often lead to failures due to discrete reaction layers with significant mechanical property differences. Using laser beam-directed energy deposition (LB-DED), this study demonstrates the fabrication of a VCrTi-Gr91 steel functionally graded component through a novel process parameter optimization framework. A systematic approach included powder characterization, single-track depositions, and construction of printability maps. Near full-density specimens of each interlayer were additively manufactured, and a transition from V-based alloys to reduced activation ferritic martensitic steels was achieved. Computational material selection of interlayer alloys and thermodynamic/diffusion kinetics simulations prevented most interface incompatibilities. A brittle intermetallic formed at one interface, causing cracking, which was not predicted by current thermodynamic models. Transition alloy design approach was updated with a more recent database and a mitigation strategy has been proposed to eliminate the formation of deleterious intermetallic phases. Ultimately, LB-DED has proven effective for producing multi-material graded systems for fusion applications, with the demonstrated process parameter optimization framework applicable to various materials.
This paper is about electrically induced explosions of short (1 mm) and thin (38 μm diameter) gold bridgewires in ambient air and contrasts this behavior with that observed for longer wires in a vacuum used in applications such as Z-pinch systems. The action-integral (the time integral of the wire current squared) and energy-to-burst are measured using high current discharge systems. It is found that in contrast to some reports, the action-integral to burst is not a constant for a specific wire geometry and material but, instead, is a function of the rate of current change in the wire around the time of burst and the related metric of the current flux at burst. Furthermore, it is found that the accuracy of the constant action-integral to burst approximation is dependent on the discharge system used. Short gold wires such as these have relevancy to exploding bridgewire detonators.
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.
This work aims at understanding the conversion of CO to organic acids, namely oxalic acid and formic acid, using non-thermal atmospheric pressure plasma over aqueous solutions. CO exhibited significantly higher conversion to organic acids (more than 15×) compared to CO 2 under the same reaction conditions. The result bolsters a proposed two-step process for CO 2 fixation, whereby CO 2 is first converted to CO, and then CO is converted to organic acids. The organic acids produced from CO are intermediates in the water–gas shift (WGS) reaction of CO in the presence of an aqueous solution to dissolved CO 2 and hydrogen gas. Based on a simple thermodynamic analysis, the organic acid yield was increased by lowering the plasma–liquid reaction temperature using an ice bath to cool the reaction flask. The composition of the organic acids could be varied by changing the pH of the solution. Oxalate was formed in higher concentrations with increasing solution pH above the pK a of the radical species (CO 2 )˙ − . Below the pK a value, formate was the exclusive organic acid formed. The production of formate has a rather weak pH dependence but is enhanced slightly at a basic pH above 10. Furthermore, at basic pH, the effect of electrolyte concentration comes into play. Higher electrolyte concentrations, leading to shorter electrolyte Debye lengths, resulted in lowered organic acid yields. The highest yields of organic acids obtained in our system were 122 mg L −1 for oxalate and 77 mg L −1 for formate at an optimum 1 mM NaOH concentration in the starting solution. This work is a successful pioneering example of CO to organic acids conversion using non-thermal plasmas, which opens the pathway for a promising two-step conversion process of CO 2 to organic acids.
Gas-filled, laser-driven “inverted corona” fusion targets have attracted interest as a low-convergence neutron source and platform for studying kinetic physics. At the fill pressures under investigation, ejected particles from the shell can penetrate deeply into the gas before colliding, leading to significant mixing across the gas–shell interface. Here, we use kinetic-ion, fluid-electron hybrid particle-in-cell simulations to explore the nature of that mix. Simulations of the system demonstrate characteristics of a weakly collisional electrostatic shock, whereby a strong electric field accelerates shell ions into the rarefied gas and reflects upstream gas ions. This interpenetration is mediated by collisional processes: At higher initial gas pressure, fewer shell particles pass into the mix region and reach the hotspot. This effect is detectable through neutron yield scaling vs gas pressure. Predictions of neutron yield scaling show excellent agreement with experimental data recorded at the OMEGA laser facility, suggesting that 1D kinetic mechanisms are sufficient to capture the mix process.
We report on the synthesis of ternary SiGeSn nanocrystals (NCs) produced via nonthermal plasma synthesis from silane (SiH 4 ), germane (GeH 4 ), and tetramethylstannane (Sn(CH 3 ) 4 ) precursor sources. Detailed structural, chemical, and vibrational analyses show that all three elements are incorporated both on the NC surface and within the NC core. Incorporation of Sn into the NC core is realized using a secondary injection of SiH 4 and GeH 4 precursor gases in the after-glow region of the plasma, which kinetically traps Sn in the core. We demonstrate compositional tunability of the SiGeSn NCs in which the Si and Ge ratios can be varied broadly at low Sn concentrations. We also show tunability of the Sn content up to ~2 atomic percent as revealed by ICP-MS analysis. More generally, this report demonstrates how nonthermal plasma synthesis can be used to produce metastable ternary nanostructured alloys involving thermodynamically insoluble constituents.
Strong impacts of drifts on the divertor plasma in–out asymmetry and detachment are demonstrated in DIII-D with an open divertor configuration. For forward toroidal field, B T , i.e., with the ion B × ∇B drift toward the divertor, the particle flux to the inner divertor, as represented by the Langmuir probe measured ion saturation current (J sat ), exhibits a double peak structure, with electron temperature, lower at the inner target. Reversing the B T direction reverses both the radial and poloidal E × B flows, leading to a broad particle flux profile in the outboard scrape-off layer (SOL) with a similar double-peak structure to that observed at the inner target with forward B T . The correlation of a double peak structure with divertor temperature profiles confirms physical coupling between the drift flow and sheath boundary condition and their strong impact on divertor profiles. In addition, under reversed B T conditions, increasing the density flattens the target temperature profile. However, J sat remains high away from the strike point, rendering it difficult to achieve an “effective” detached plasma, i.e., with effective reduction in both peak heat flux and peak temperature (in the far SOL). In contrast, divertor detachment with a cold and flat temperature profile can be achieved at both target plates with the forward B T .
Pinch devices under laser heating, determining plasma density and temperature and confining magnetic field strength with thermodynamic model
Through the use of fiber optics, a series of very narrow slits have been constructed and placed at the exit plane of a spectrograph. Plasma radiation which is dispersed by the spectrograph is incident on the slits and is transmitted to separate phototubes via the quartz fibers. With this technique, time resolved measurements of the spectral shape of the hydrogen H beta line have been made and used to determine the electron density of a transient plasma. Data obtained in a shock tube indicated that the thermodynamic conditions behind the reflected shock in a mixture of 20 percent H 80 percent He correspond to theoretically predicted conditions.
We present 2.5D hybrid simulations of the spectral and thermodynamic evolution of an initial state of magnetic field and plasma variables that in many ways represents solar wind fluctuations. In accordance with Helios near-Sun high-speed stream observations, we start with Alfvénic fluctuations along a mean magnetic field in which the fluctuations in the magnitude of the magnetic field are minimized. Since fluctuations in the radial flow speed are the dominant free energy in the observed fluctuations, we include a field-aligned v∥(k⊥) with an k(exp −1) spectrum of velocity fluctuations to drive the turbulent evolution. The flow rapidly distorts the Alfvénic fluctuations, yielding spectra (determined by spacecraft-like cuts) transverse to the field that become comparable to the k∥ fluctuations, as in spacecraft observations. The initial near constancy of the magnetic field is lost during the evolution; we show this also takes place observationally. We find some evolution in the anisotropy of the thermal fluctuations, consistent with expectations based on Helios data. We present 2D spectra of the fluctuations, showing the evolution of the power spectrum and cross-helicity. Despite simplifying assumptions, many aspects of simulations and observations agree. The greatly faster evolution in the simulations is at least in part due to the small scales being simulated, but also to the non-equilibrium initial conditions and the relatively low overall Alfvénicity of the initial fluctuations.
Upgrading ethane with CO 2 as a soft oxidant represents a desirable means of obtaining oxygenated hydrocarbons. This reaction is not thermodynamically feasible under mild conditions and has not been previously achieved as a one-step process. Non-thermal plasma was implemented as an alternative means of supplying energy to overcome activation barriers, leading to the production of alcohols, aldehydes, and acids as well as C 1 -C 5+ hydrocarbons under ambient pressure, with a maximum total oxygenate selectivity of 12%. A plasma chemical kinetic computational model was developed and found to be in good agreement with the experimental trends. Results from this study illustrate the potential to use plasma for the direct synthesis of value-added alcohols, acids, and aldehydes from ethane and CO 2 under mild conditions.
Recent works have shown that strongly magnetized plasmas characterized by having a gyrofrequency greater than the plasma frequency exhibit novel transport properties. One example is that the friction force on a test charge shifts, obtaining components perpendicular to its velocity in addition to the typical stopping power component antiparallel to its velocity. Here, we apply a recent generalization of the Boltzmann equation for strongly magnetized plasmas to calculate the ion–electron temperature relaxation rate. Strong magnetization is generally found to increase the temperature relaxation rate perpendicular to the magnetic field and to cause the temperatures parallel and perpendicular to the magnetic field to not relax at equal rates. This, in turn, causes a temperature anisotropy to develop during the equilibration. Strong magnetization also breaks the symmetry of independence of the sign of the charges of the interacting particles on the collision rate, commonly known as the “Barkas effect.” Furthermore, it is found that the combination of oppositely charged interaction and strong magnetization causes the ion–electron parallel temperature relaxation rate to be significantly suppressed, scaling inversely proportional to the magnetic field strength.
Fuel–ablator mix has been established as a major performance degrading effect in the burning plasma regime of recent inertial confinement fusion (ICF) experiments. As such, the study of fuel–ablator mix with experiments and simulations can provide valuable insight for our understanding of these experiments and establish a path for even higher yields and increased robustness. Here we present a novel high-yield experimental ICF design that is motivated by recent experiments measuring ice–ablator mix with a CH ablator instead of a high-density carbon (HDC) ablator. Here we review these experiments in more detail and describe the modeling assumptions and parameters used to obtain agreement with the data from implosion and burn simulations with mix. Using this mix model calibrated a posteriori to the experimental data, we design an implosion that uses a CH ablator that is predicted to achieve better performance than a recent experiment that achieved net target gain of 1.5 in HDC. Because hydrodynamic instabilities are greatly reduced with this new design, we also expect a high reproducibility at the same implosion adiabat as current record yield experiments.
Fusion-based propulsion can enable fast interplanetary transportation. Magneto-inertial fusion (MIF) is an approach which has been shown to potentially lead to a low cost, small reactor for fusion break even. The Z-Pinch/dense plasma focus method is an MIF concept in which a column of gas is compressed to thermonuclear conditions by an axial current (I approximates 100 MA). Recent advancements in experiments and the theoretical understanding of this concept suggest favorable scaling of fusion power output yield as I(sup 4). This document presents a conceptual design of a Z-Pinch fusion propulsion system and a vehicle for human exploration. The purpose of this study is to apply Z-Pinch fusion principles to the design of a propulsion system for an interplanetary spacecraft. This study took four steps in service of that objective; these steps are identified below. 1. Z-Pinch Modeling and Analysis: There is a wealth of literature characterizing Z-Pinch physics and existing Z-Pinch physics models. In order to be useful in engineering analysis, simplified Z-Pinch fusion thermodynamic models are required to give propulsion engineers the quantity of plasma, plasma temperature, rate of expansion, etc. The study team developed these models in this study. 2. Propulsion Modeling and Analysis: While the Z-Pinch models characterize the fusion process itself, propulsion models calculate the parameters that characterize the propulsion system (thrust, specific impulse, etc.) The study team developed a Z-Pinch propulsion model and used it to determine the best values for pulse rate, amount of propellant per pulse, and mixture ratio of the D-T and liner materials as well as the resulting thrust and specific impulse of the system. 3. Mission Analysis: Several potential missions were studied. Trajectory analysis using data from the propulsion model was used to determine the duration of the propulsion burns, the amount of propellant expended to complete each mission considered. 4. Vehicle Design: To understand the applicability of Z-Pinch propulsion to interplanetary travel, it is necessary to design a concept vehicle that uses it -- the propulsion system significantly impacts the design of the electrical, thermal control, avionics and structural subsystems of a vehicle. The study team developed a conceptual design of an interplanetary vehicle that transports crew and cargo to Mars and back and can be reused for other missions. Several aspects of this vehicle are based on a previous crewed fusion vehicle study -- the Human Outer Planet Exploration (HOPE) Magnetized Target Fusion (MTF) vehicle. Portions of the vehicle design were used outright and others were modified from the MTF design in order to maintain comparability.
This study presents an experimental comparison between rotational and kinetic temperatures of molecular species in a laser-produced plasma, utilizing tunable laser absorption spectroscopy. We analyzed high-resolution and time-resolved absorption spectra of 31 rotational transitions within the Phillips A 1 II u –X 1 Σ g 3-0 band of the C 2 molecule, measured from a laser-produced graphite plasma in ~2 Torr argon, within the 771–781 nm spectral range. Spectral fitting provided quantitative state column densities of C 2 rotational energy levels in the ground electronic and vibrational states. Boltzmann analysis revealed thermalized rotational distributions showing rotational temperatures decreasing from 3000 to 600 K within 5–500 μs following the onset of the laser plasma. The measured kinetic and rotational temperatures of C 2 molecules are comparable, suggesting that collisional processes in the laser-produced plasma are sufficient to maintain thermal equilibrium between the C 2 molecules and the Ar background gas.
Convergent high-energy-density (HED) experimental platforms are used to study matter under some of the most extreme conditions that can be produced on Earth, comparable to the interior of stars. There are many challenges in using these systems for fundamental measurements currently being addressed by new analysis methods, such as the combination of a reduced physics model and Bayesian inference, allowing a self-consistent inference of physical quantities with a robust error analysis. These methods in combination with simple (as compared to inertial confinement fusion implosions) implosion platforms, which can be modified to show sensitivity to different physical mechanisms of interest, are used to study the physical properties of matter under extreme conditions. This work discusses a subset of implosion targets for studying opacity effects, electron-ion equilibration, and thermal conductivity and, as an example, a system consisting of a thick-shelled, gas-filled laser-direct-drive implosion is used to show how a reduced model and Bayesian inference can help inform experimental design decisions such as diagnostic choice. It is shown that for this system that a combination of neutron and x-ray self-emission diagnostics is critical for constraining the details of the thermodynamic states in the system and that the conductivity exponent in a Spitzer like framework can be constrained to the 30% level in deuterium at gigabar conditions. Furthermore, this process can be applied to many HED systems to make underlying model assumptions explicit and facilitate experimental design and analysis.