Understanding non-equilibrium N 2 O / NO x chemistry in plasma-assisted low-temperature NH 3 oxidation
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Energy & Fuels↗
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Outflowing photoionized plasma in Circinus X-1 using the high-resolution X-ray spectrometer Resolve onboard XRISM and the radiative transfer code cloudy
High-resolution X-ray spectroscopy is a key to understanding the mass inflow and outflow of compact objects. Spectral lines carry information about the ionization, density, and velocity structures through their intensity ratios and profiles. They are formed in non-local thermodynamic equilibrium conditions under the intense radiation field from the compact objects; thus radiative transfer (RT) calculation is a requisite for proper interpretations. We present such a study for a low-mass X-ray binary, Circinus X-1, from which the P Cygni profile was discovered using the X-ray grating spectrometer onboard Chandra. We observed the source using the X-ray microcalorimeter onboard XRISM at an orbital phase of 0.93–0.97 and revealed many spectral features unidentified before: the higher series transitions ($n{\rightarrow }1$; $n>2$) of highly ionized (H- and He-like) S, Ca, Ar, and Fe in emission and absorption, the Fe K$\alpha$ and K$\beta$ inner-shell excitation absorption of mildly ionized (O- to Li-like) Fe, and resolved fine-structure level transitions in the Fe Ly$\alpha$ and He$\alpha$ complexes. They blend with each other at different velocity shifts on top of apparently variable continuum emission that changed its flux by an order of magnitude within a 70 ks telescope time. Despite such complexity in the observed spectra, most of them can be explained by a simple model consisting of the photoionized plasma outflowing at $\sim$300 km s$^{-1}$ and the variable blocking material in the line of sight of the incident continuum emission from the accretion disk. We demonstrate this with the aid of the RT code cloudy for the line ratio diagnostics and spectral fitting. We further constrain the physical parameters of the outflow and argue that the outflow is launched close to the outer edge of the accretion disk and can be driven radiatively by being assisted by the line force calculated using the RT simulation.
X-rays: binaries↗
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↗
Constraining computational modeling of indirect drive double shell capsule implosions using experiments
Double shell capsule implosions are an alternative approach to achieving alpha heating on the National Ignition Facility. Current machining techniques construct the outer shell as two hemispheres that are glued together, and the deuterium and tritium (DT) liquid inside the inner shell will be injected by a fill tube. These features introduce asymmetries and jetting that may disrupt the confinement of the DT fuel if not carefully controlled. Simulations indicate that in order to achieve high yields in the laboratory, these features as well as susceptibility to the Rayleigh–Taylor instability (RTI) must be mitigated. Furthermore, due to uncertainties in computational models and the expense of using the best physics models at adequate resolution in three dimensions, our computational modeling must be constrained by experiments. We report on the results of recent hydrogrowth radiography and dual-axis keyhole experiments with double shell targets that have been used to evaluate our modeling of the outer shell joint as well as the impacts of high-energy x-ray preheat that strongly impacts RTI growth. Our simulations show good agreement with the experimental data and inform several important modeling choices.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Prebiotic Processing induced by Comet and Meteor Impact
In their study of organic synthesis from impact shocks using the laser-induced-plasma (LIP) technique, McKay and Borucki(l) found that organic synthesis preferentially occurred in a reducing gas mixture rich in methane, and not in a mixture rich in carbon dioxide. This result means chemical models based on the thermodynamical equilibrium approach do not apply to shock chemistry. In this study, we employ the technique of reacting flow, i.e., chemical kinetics in a fluid flow, to simulate the chemistry occurring in LIP and in the wake region from comet or meteor impact. Three different air compositions have been used: (1) 1/3 CO2 and 2/3 H2, (2) pure CH4, and (3) 1/4 CH4, 1/4 CO2, and 1/2 H2O. The stoichiometric ratio of gas mixtures (1) and (3) are kept the same. For (1) we obtain equal mole fractions of CO and H2O as the major products and for (2) C2H2 is the major product. In both cases our results are in agreement with Ref. (1). For (3) we find an interesting case where the nature of chemicals produced to be critically dependent on the flowfield temperature. At the higher temperature part of the wake region, CO and H2O are the dominant products, whereas in the cooler region C2H2 is the dominant product. Further studies of these reactions, as well as for the gas mixture including N2, are being pursued.
Dateo, Christopher E.↗
Insights into Nonelectroactive C–C Bond Formation on Cu(100) during Electrochemical CO 2 Reduction from Multiconfigurational Wavefunction Theory
Carbon–carbon (C–C) bond formation is necessary for hydrocarbon (and oxygenate) synthesis beyond methane (and formate/formic acid) during electrochemical CO and CO 2 reduction (ECOR and ECO 2 R). Cu has notable ability to form hydrocarbons compared to other pure metals. In particular, the (100) facet of face-centered cubic Cu forms ethylene competitively with H 2 and methane during both ECOR and ECO 2 R. Past simulations based on density functional theory (DFT) with standard exchange-correlation functional approximations predict fast nonelectroactive C–C bond formation channels involving adsorbed (*) CO together with another *CO, formyl (*CHO), or hydroxymethylidyne (*COH), forming OC*–*CO, OC*–CHO*, and OC*–*COH, respectively. Such simulations support the prevailing hypothesis that emergence of C 2 products is kinetically determined at the early stages of the reduction chemistry. Here we show, via simulations with more accurate many-body, i.e., “correlated”, wavefunction theory (enabled by an embedding scheme), that the coupling of *CO with a *CO or a *COH (previously predicted at the same level of theory to kinetically dominate over *CHO as the one-electron reduction product of *CO) is highly activated (kinetically impeded), with free energy barriers >1 eV, in contradiction to previous DFT-based simulations. Intriguingly, we find that the coupling of two adjacent *COHs incurs only a small barrier (<0.3 eV) and is exoergic (< –1 eV); however, given the predicted low surface mobility of *COH, the emergence of HOC*–*COH is also improbable, at least at low *COH coverages. We therefore conclude that it is highly unlikely for *CO to participate in nonelectroactive C–C bond formation on pristine Cu(100), contrary to conventional wisdom, and that the energetically favorable *COH dimerization may occur only after substantial buildup of *COH on the surface.
adsorption↗
Temperature measurement of Quark-Gluon plasma at different stages
In a Quark-Gluon Plasma (QGP), the fundamental building blocks of matter, quarks and gluons, are under extreme conditions of temperature and density. A QGP could exist in the early stages of the Universe, and in various objects and events in the cosmos. The thermodynamic and hydrodynamic properties of the QGP are described by Quantum Chromodynamics (QCD) and can be studied in heavy-ion collisions. Despite being a key thermodynamic parameter, the QGP temperature is still poorly known. Thermal lepton pairs (e + e − and μ + μ − ) are ideal penetrating probes of the true temperature of the emitting source, since their invariant-mass spectra suffer neither from strong final-state interactions nor from blue-shift effects due to rapid expansion. Here we measure the QGP temperature using thermal e+e− production at the Relativistic Heavy Ion Collider (RHIC). The average temperature from the low-mass region (in-medium ρ 0 vector-meson dominant) is (2.01 ± 0.23) × 10 12 K, consistent with the chemical freeze-out temperature from statistical models and the phase transition temperature from Lattice QCD. The average temperature from the intermediate mass region (above the ρ0 mass, QGP dominant) is significantly higher at (3.25 ± 0.60) × 10 12 K. This work provides essential experimental thermodynamic measurements to map out the QCD phase diagram and understand the properties of matter under extreme conditions.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Causes of fuel–ablator mix inferred from modeling of monochromatic time-gated radiography of OMEGA cryogenic implosions
Here, we present evidence, in the context of OMEGA cryogenic target implosions, that laser imprint, known to be capable of degrading laser-direct-drive target performance, plays a major role in generating fuel–ablator mix. OMEGA cryogenic target implosions show a performance boundary correlated with acceleration-phase shell stability; for sufficiently low adiabats (where the adiabat is the ratio of the pressure to the Fermi pressure) and high in-flight aspect ratios (IFAR's), the neutron-weighted shell areal density and neutron yield relative to the clean simulated values sharply decline. Direct evidence of Rayleigh–Taylor fuel–ablator mixing was previously obtained using a Si Heα backlighter driven by an ~20-ps short pulse generated by OMEGA EP. The shadow cast by the shell shortly prior to stagnation, as diagnosed using backlit radiographs, shows a softening near the limb, which is evidence of an ablator–fuel mix region for a low-adiabat implosion (α ~ 1.9, IFAR = 14) but not for a moderate adiabat implosion (α ~ 2.5, IFAR = 10). We find good agreement between experimental and synthetic radiographs in simulations that model laser imprint and account for uncertainty in the initial ablator thickness. Furthermore, we further explore the role of other mechanisms such as classical instability growth at the fuel–ablator interface, species concentration diffusion, and long-wavelength drive and target asymmetries.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Producing two-dimensional dust clouds and clusters using a movable electrode for complex plasma and fundamental physics experiments
We report a Bidirectional Electrode Control Arm Assembly (BECAA) for precisely manipulating dust clouds levitated above the powered electrode in RF plasmas. The reported techniques allow the creation of perfectly 2D dust layers by eliminating off-plane particles by moving the electrode from outside the plasma chamber without altering the plasma conditions. Here, the tilting and moving of electrodes using BECAA also allows the precise and repeatable elimination of dust particles one by one to achieve any desired number of grains N without trial and error. Simultaneously acquired top and side view images of dust clusters show that they are perfectly planar or 2D. A demonstration of clusters with N = 1–28 without changing the plasma conditions is presented to show the utility of BECAA for complex plasma and statistical physics experimental design. Demonstration videos and 3D printable part files are available for easy reproduction and adaptation of this new method to repeatably produce 2D clusters in existing RF plasma chambers.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Transport coefficients of warm dense matter from Kohn-Sham density functional theory
We present a comprehensive study of transport coefficients including DC electrical conductivity and related optical properties, electrical contribution to the thermal conductivity, and the shear viscosity via ab initio molecular dynamics and density functional theory calculations on the “priority 1” cases from the “Second Charged-Particle Transport Coefficient Workshop” [Stanek et al., Phys. Plasmas (to be published 2024)]. The purpose of this work is to carefully document the entire workflow used to generate our reported transport coefficients, up to and including our definitions of finite size and statistical convergence, extrapolation techniques, and choice of thermodynamic ensembles. In pursuit of accurate optical properties, we also present a novel, simple, and highly accurate algorithm for evaluating the Kramers–Kronig relations. These heuristics are often not discussed in the literature, and it is hoped that this work will facilitate the reproducibility of our data.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Progress report on analytic and numerical studies of x-ray-induced impulse
In a variety of high-energy-density (HED) systems, x-rays of a given energy are used to generate shockwaves, bulk motion, and impulse in materials. As radiation energy is deposited within the material, the material is heated. The number of photons of a certain wavelength absorbed is determined by the spectral intensity of the radiation and the material’s opacity evaluated at that wavelength. This heating results in a pressure increase dictated by the material’s equation of state. Depending on the intensity of the absorbed radiation, it may also cause the material to change phase into a liquid, gas, or plasma. The increased pressure drives the heated surface layer to blow off, imparting impulse and sending a compressive wave into the bulk of the material. Additionally, the compression wave interacts with the solid boundary of the material, resulting in a tensile wave that may cause the material to spall. The impulse generated by the deposition of x-ray energy within the sample can be modeled using purely analytical methods, e.g. the Bethe, Bade, Averell, and Yost (BBAY) model. However, the blow-off process is rather complicated, and proper modeling efforts must account for material ejected by spallation, vaporization, jetting, and plasma ablation. For this reason, analytical models have an unclosed term describing the final energy of the blown-off material Ef(z). Prior modeling efforts have arbitrarily fixed this at some value or modeled it using a limiting set of thermodynamic assumptions. The work we are currently performing uses validated simulations using sophisticated photon transport, equation of state, and strength models/data to provide a fit for Ef(z) that is useful for predictive calculation of impulse. We will apply our methodology and show results for different materials and x-ray sources. This work is particularly useful for the design of experiments studying x-ray impulse generation. The present report is outlined as follows. Section 1.2 describes a series of HED experiments investigating x-ray-generated impulse in materials. Section 1.3 describes the computational approach we employ in this study, and presents validation results against the aforementioned experiments. Section 1.4 introduces analytical models for impulse generation, as well as our method for utilizing impulse from simulations to close the models. We discuss the concept of impulse-spectrum sensitivity, it’s application to uncertainty quantification, and derive a very useful analytical expression for it in 1.5. We then summarize recent progress in this project and discuss future work in section 1.6.
36 MATERIALS SCIENCE↗
On heat conduction in multicomponent, non-Maxwellian spherically symmetric solar wind plasmas
A generalized expression for the steady-state heat flux in multicomponent, moderately non-Maxwellian spherically symmetric plasmas is presented and discussed. The work was motivated by the inability of the simple, Fourier-type formula for the thermal conductivity to explain the observed correlations in the solar wind. The results hold for situations not far from local thermodynamic equilibrium. The generalized expression includes not only correlations that have been observed but also correlations not sought for previously.
Cuperman, S.↗
High Temperature Fusion Reactor Cooling Using Brayton Cycle Based Partial Energy Conversion
For some future space power systems using high temperature nuclear heat sources most of the output energy will be used in other than electrical form, and only a fraction of the total thermal energy generated will need to be converted to electrical work. The paper describes the conceptual design of such a partial energy conversion system, consisting of a high temperature fusion reactor operating in series with a high temperature radiator and in parallel with dual closed cycle gas turbine (CCGT) power systems, also referred to as closed Brayton cycle (CBC) systems, which are supplied with a fraction of the reactor thermal energy for conversion to electric power. Most of the fusion reactor's output is in the form of charged plasma which is expanded through a magnetic nozzle of the interplanetary propulsion system. Reactor heat energy is ducted to the high temperature series radiator utilizing the electric power generated to drive a helium gas circulation fan. In addition to discussing the thermodynamic aspects of the system design the authors include a brief overview of the gas turbine and fan rotor-dynamics and proposed bearing support technology along with performance characteristics of the three phase AC electric power generator and fan drive motor.
Juhasz, Albert J.↗
Features of explosion of thin aluminum foils on an 8 kA, 350 ns pulse generator
This paper presents the results of a study of the explosion of Al foils with a thickness of 4 μm on an 8 kA, 350 ns pulsed-power generator. The features of the energy deposition process in the explosion of foils in comparison with wires of similar mass and cross section, as well as with thin wires, are studied. In the experiments presented here, the dependence of the energy deposition in the foil on its initial structure was found. In conclusion, two types of exploded foil structure were recorded using point-projection radiography
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Magnetic reconnection and kinetic waves generated in the Earth's quasi-parallel bow shock
Magnetic reconnection in quasi-parallel shocks, relevant to the Earth’s bow shock, is studied by means of two-dimensional full particle-in-cell simulations. As the Alfvénic Mach number increases, the propagation direction of the waves excited in the transition region changes, and the shock becomes more turbulent with more reconnection sites. In the higher Mach number shock, abundant electron-only reconnection sites are generated with scales on the order of the ion skin depth or less. Non-reconnecting current sheets can also generate electron jets and energy dissipation can occur there as well. However, non-reconnecting current sheets with the magnetic field reversal typically show a smaller energy dissipation rate than reconnecting current sheets. In the shock transition region, two types of waves are responsible for driving reconnection: one has a wavelength around three ion skin depths (d i ), and the other has a wavelength less than 1 d i . Here, electron and ion distribution functions show that in regions where the former type of waves is excited, there are two ion beams and a single-peaked electron distribution. In contrast, in regions where the latter type of waves is excited, there are multiple electron and ion beams. The waves propagating obliquely to the magnetic field bend the magnetic field lines, and magnetic reconnection occurs where oppositely directed field lines come into contact.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Numerical modeling of laser thermal propulsion flows
An review of the problems associated with modeling laser thermal propulsion flows, a synopsis of the status of such models, and the attributes of a successful model are presented. The continuous gaseous hydrogen laser-supported combustion wave (LSCW) thruster, for which a high-energy laser system (preferably space-based) should exist by the time the propulsion technology is developed, is considered in particular. The model proposed by Raizer (1970) is based on the assumptions of one-dimensional flow at constant pressure with heat conduction as the principal heat transfer mechanism. Consideration is given to subsequent models which account for radiative transfer into the ambient gas; provide a two-dimensional generalization of Raizer's analysis for the subsonic propagation of laser sparks in air; include the effect of forward plasma radiation in a one-dimensional model; and attempt a time-dependent (elliptic) solution of the full Navier-Stokes equations for the flow in a simple axisymmetric thruster. Attention is also given to thruster and nozzle flow models and thermodynamic and transport properties.
Mccay, T. D.↗
Multimodal In Situ Characterization Uncovers Unexpected Stability of a Cobalt Electrocatalyst for Acidic Sustainable Energy Technologies
An accelerated development of durable and affordable sustainable energy technologies is often hindered by a limited understanding of how non-precious materials within these systems degrade. In acidic proton exchange membrane fuel cells and water electrolyzers, metallic cobalt (Co) is considered an unstable component that is often combined with precious metals or other stabilizers. To understand the mechanisms behind Co instability, we employ an experimental platform that quantifies dissolution with on-line inductively coupled plasma mass spectrometry and product formation with electrochemical mass spectrometry during electrochemical testing, along with ex- situ characterization. Under varied conditions (electrocatalysis, time, gas-type saturation, and ion concentration), windows of Co stability are observed that are different than predicted with classical chemical thermodynamics, suggesting new stabilization and degradation mechanisms than previously understood. Notably, Co is active for the hydrogen evolution reaction (HER), with prolonged stability that is ~300 mV different than thermodynamically projected. Additionally, in an oxygenated environment, Co concurrently performs the HER and oxygen reduction reaction (ORR) yet undergoes different morphology changes and dissolution mechanisms. Interestingly, in the absence of electrocatalysis, there is a 22x decrease in dissolution in an oxygen-free environment, proposing a route to decrease Co losses during device shutdown protocols. Lastly, under more extreme operating conditions, Co becomes stable after a substantial amount of dissolution, suggesting that high concentrations of Co 2+ ions in the microenvironment induce the formation of a stable CoHO 2 surface. Altogether, these results can be leveraged to improve the design and development of more robust and cost-effective sustainable energy technologies, as well as promote strategic strategies for prolonged material utilization.
Dissolution↗
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↗