Noise and error analysis and optimization in particle-based kinetic plasma simulations
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E.G. Evstatiev↗
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Gyrokinetic electron and fully kinetic ion simulations of fast magnetosonic waves in the magnetosphere
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Xiaotian Gao↗
Mission Oriented Support and Theory (MOST) for MMS -- The Goddard Space Flight Center/University of California Los Angeles Interdisciplinary Science Program
The MOST IDS team was tasked with focusing on two general areas: The first was to participate with the Fast Plasma Investigation (FPI) team in the development of virtual detectors that model the instrument responses of the MMS FPI sensors. The virtual instruments can be 'flown through' both simulation data (from magnetohydrodynamic, hybrid, and kinetic simulations) and Cluster and THEMIS spacecraft data. The goal is to determine signatures of magnetic reconnection expected during the MMS mission. Such signatures can serve as triggers for selection of burst mode downloads. The chapter contributed by the FPI team covers that effort in detail and, therefore, most of that work has not been included here. The second area of emphasis, and the one detailed in this chapter, was to build on past and present knowledge of magnetic reconnection and its physical signatures. Below we describe intensive analyses of Cluster and THEMIS data together with theoretical models and simulations that delineate the plasma signatures that surround sites of reconnection, including the effects of turbulence as well as the detailed kinetic signatures that indicate proximity to reconnection sites. In particular, we point out that particles are energized in several regions, not only at the actual site of reconnection.
Goldstein, Melvyn L.↗
Hybrid simulations of intermediate shocks - Coplanar and noncoplanar solutions
A hybrid code is used to investigate the kinetic structure and stability of subfast intermediate shocks (IS) formed dynamically by the interaction between a flowing plasma and a stationary piston. Results of the kinetic simulation of noncoplanar ISs are compared with predictions of the MHD theory. The relevance of the results of the study to observations of the magnetopause is discussed.
Karimabadi, H.↗
Monte Carlo simulation of steady state shock structure including cosmic ray mediation and particle escape
Both hydrodynamic calculations (Drury and Volk, 1981, and Axford et al., 1982) and kinetic simulations imply the existence of thermal subshocks in high-Mach-number cosmic-ray-mediated shocks. The injection efficiency of particles from the thermal background into the diffusive shock-acceleration process is determined in part by the sharpness and compression ratio of these subshocks. Results are reported for a Monte Carlo simulation that includes both the back reaction of accelerated particles on the inflowing plasma, producing a smoothing of the shock transition, and the free escape of particles allowing arbitrarily large overall compression ratios in high-Mach-number steady-state shocks. Energy spectra and estimates of the proportion of thermal ions accelerated to high energy are obtained.
Ellison, D. C.↗
Kinetic Monte Carlo Simulation of Cation Diffusion in Low-K Ceramics
Low thermal conductivity (low-K) ceramic materials are of interest to the aerospace community for use as the thermal barrier component of coating systems for turbine engine components. In particular, zirconia-based materials exhibit both low thermal conductivity and structural stability at high temperature, making them suitable for such applications. Because creep is one of the potential failure modes, and because diffusion is a mechanism by which creep takes place, we have performed computer simulations of cation diffusion in a variety of zirconia-based low-K materials. The kinetic Monte Carlo simulation method is an alternative to the more widely known molecular dynamics (MD) method. It is designed to study "infrequent-event" processes, such as diffusion, for which MD simulation can be highly inefficient. We describe the results of kinetic Monte Carlo computer simulations of cation diffusion in several zirconia-based materials, specifically, zirconia doped with Y, Gd, Nb and Yb. Diffusion paths are identified, and migration energy barriers are obtained from density functional calculations and from the literature. We present results on the temperature dependence of the diffusivity, and on the effects of the presence of oxygen vacancies in cation diffusion barrier complexes as well.
Good, Brian↗
Ion injection and acceleration at quasi-perpendicular shocks
We present and discuss results of a new model for ion injections and acceleration at quasi-perpendicular collisionless shocks. We use the one-dimensional hybrid simulation (kinetic ions/fluid electrons) and impose an assumption on the ion motion so that diffusion across the magnetic field (normal to the shock front) is possible. These motions are otherwise suppressed by both one- and two-dimensional simulations. We find that, even in strictly perpendicular shocks, when scattering normal to the field is included, a fraction of the incident ions are accelerated to suprathermal energies. When reasonable scattering times are considered, only pickup ions are injected, whereas thermal solar wind ions are not. The acceleration of these ions is very rapid. We have found that a few of the initially low-energy pickup ions can reach many tens to a few hundred times the plasma ramming energy in less than 100 gyroperiods. Furthermore, highly field aligned energetic ions are found to exist upstream of the slightly oblique shock. The most direct applications of this study is toward the interpretation of observations of both solar wind and interstellar pickup ion distributions in the vicinity of interplanetary shocks which are most often quasi-perpendicular. This work also directly addresses a fundamental issue with regard to our current understanding of the anomalous component of cosmic rays.
Giacalone, J.↗
Observations and Simulations of Electron Dynamics Near an Active Neutral Line
Recent observations in the Earth's magnetotail have shown rapid increases in the fluxes of energetic electrons with energies up to 100's of keV associated with dipolarization fronts that propagate into the inner magnetosphere. On August 15, 2001 the four Cluster spacecraft located slightly dawnward of midnight (yGSM approx. -5.4RE) at xGSM approx. -18RE observed a series of earthward propagating dipolarization fronts [Hwang et al., 2010]. At least 6 dipolarization fronts were observed in a 20m interval. Unlike previously reported cases the fluxes of electrons up to 95keV decreased during the passage of the first three fronts over the spacecraft. The energetic electron fluxes increased during the passage of the last three fronts. We have performed a global magnetohydrodynamic simulation of this event using solar wind observations from the ACE satellite to drive the simulation. In the simulation a very complex reconnection system in the near-Earth tail at XGSM approx. -20RE launched a series of earthward propagating dipolarization fronts that are similar to those observed on Cluster. The simulation results indicate that the Cluster spacecraft were just earthward of the reconnection site. In this paper we will present a study of the dynamics of electrons associated with these events by using the large-scale kinetic simulation approach in which we launch a large number of electrons into the electric and magnetic fields from this simulation.
Goldstein, M. L.↗
3D Simulation of Lower-Hybrid Drift Waves in Strong Guide Field Asymmetric Reconnection in Laboratory Experiments
The magnetic reconnection experiment has recently seen short wavelength (kp (e)(1) lower-hybrid waves near the electron diffusion region in strong guide field reconnection. Based on plasma parameters from the experiment, we perform a three-dimensional fully kinetic simulation in order to investigate the generation of the lower-hybrid waves and their effects on the reconnection process. We find that the low-beta regions around the reconnection site are unstable to the lower-hybrid drift instability propagating in the outflow direction, driven by the difference between the electron and ion outflows. The waves modify the electron distributions, leading to periodic opening and closing of gaps in electron velocity space, and provide a small contribution to the anomalous resistivity. Finally, the simulation results are discussed in the context of space observations and laboratory experiments.
J. Ng↗
Cycling phosphorus on the Archean Earth: Part II. Phosphorus limitation on primary production in Archean ecosystems
Several lines of evidence point to low rates of net primary production (NPP) in Archean oceans. However, whether Archean NPP was limited by electron donors or nutrients, particularly phosphorus (P), and how these factors might have changed over a billion years of recorded Archean history, remains contentious. One major challenge is to understand quantitatively the biogeochemical cycling of P on the early Earth. In Part I of this series (Hao et al., 2020), we estimated the weathering flux of P to the oceans as a function of temporally increasing continental emergence and elevation through Archean time. In Part II, we conduct thermodynamic and kinetic simulations to understand key processes of P cycling within the Archean ocean, including seafloor weathering, recycling of organic P, the solubility and precipitation of secondary phosphate minerals, and the burial diagenesis of P precipitates. Our calculations suggest low solubilities of apatite minerals in Archean seawater, primarily due to nearly neutral pH and high levels of Ca. This low solubility, in turn, implies a negligible contribution of apatite dissolution to P bioavailability in Archean seawater. We also simulate the solubility limits of common secondary P-bearing minerals, showing that vivianite would have been the least soluble P mineral in ferruginous Archean seawater (0.1–0.3 µM), even at moderate supersaturation states (Ω = 100 or 1000). If vivianite precipitation was kinetically favorable by microbial activities and mineral adsorption, the sinking flux of P as vivianite in Archean seawater could have reached the modern sinking flux, implying that vivianite precipitation was a potentially major sink for P in Archean oceans. During burial diagenesis, however, vivianite in porewater would have become less stable than Ca-phosphates of lower solubility. At elevated temperatures (>100 °C) associated with burial diagenesis and low-grade metamorphism, vivianite is predicted to react irreversibly with calcite to form apatite. Optimistic assumptions about the recycling efficiency of P on the Archean Earth lead us to estimate that by the end of the eon the total flux of P (continental weathering + recycling) could have supported NPP at levels up to 7% of the modern. The total flux of P would have been much lower on the early and middle Archean Earth, whereas fluxes of electron donors could have been higher, suggesting very low productivity and P-limitation of marine ecosystems during much of the eon. Comparing our estimates of NPP as limited by P supply with the estimate by Ward et al. (2019), in which NPP was limited by electron donors and metabolic efficiency, there could have been a transition between P-limited productivity in the early to middle Archean to electron donor-limitation closer to the eon’s end (assuming no oxygenic photosynthesis). Once oxygenic photosynthesis reached ecological significance, probably near the end of the Archean, our estimated flux of P would allow rapid oxidation of atmosphere.
Vivianite↗
Kinetic Monte Carlo Simulations of Rod Eutectics and the Surface Roughening Transition in Binary Alloys
In this paper we report on two related topics: Kinetic Monte Carlo simulations of the steady state growth of rod eutectics from the melt, and a study of the surface roughness of binary alloys. We have implemented a three dimensional kinetic Monte Carlo (kMC) simulation with diffusion by pair exchange only in the liquid phase. Entropies of fusion are first chosen to fit the surface roughness of the pure materials, and the bond energies are derived from the equilibrium phase diagram, by treating the solid and liquid as regular and ideal solutions respectively. A simple cubic lattice oriented in the {100} direction is used. Growth of the rods is initiated from columns of pure B material embedded in an A matrix, arranged in a close packed array with semi-periodic boundary conditions. The simulation cells typically have dimensions of 50 by 87 by 200 unit cells. Steady state growth is compliant with the Jackson-Hunt model. In the kMC simulations, using the spin-one Ising model, growth of each phase is faceted or nonfaceted phases depending on the entropy of fusion. There have been many studies of the surface roughening transition in single component systems, but none for binary alloy systems. The location of the surface roughening transition for the phases of a eutectic alloy determines whether the eutectic morphology will be regular or irregular. We have conducted a study of surface roughness on the spin-one Ising Model with diffusion using kMC. The surface roughness was found to scale with the melting temperature of the alloy as given by the liquidus line on the equilibrium phase diagram. The density of missing lateral bonds at the surface was used as a measure of surface roughness.
Bentz, Daniel N.↗
The promising chemical kinetics for the simulation of propane-air combustion with KIVA-II code
The development of chemical kinetics for the simulation of propane-air combustion with the use of computer code KIVA-II since 1989 is summarized here. In order to let readers understand the general feature well, a brief description of the KIVA-II code, specially related with the chemical reactions is also given. Then the results of recent work with 20 reaction mechanism is presented. It is also compared with the 5 reaction mechanism. It may be expected that the numerical stability of the 20 reaction mechanism is better as compared to that of 5 reaction mechanism, but the CPU time of the CRAY computer is much longer. Details are presented in the paper.
Ying, S. J.↗
Application of a First-Principles Anomalous Transport Model for Electrons to Multiple Hall Thrusters and Operating Conditions
We have developed a physics-based model based on a pseudo-particle description of the electron cyclotron drift instability. A key improvement of the model with respect to previous work is that linear theory is not applied in the event of wave saturation and deviations of electrons or ions from a Maxwellian distribution function. In the acceleration region, the anomalous collision frequency is computed as the minimum value necessary to prevent the electron drift velocity from exceeding the thermal velocity. A functional based on the electron equilibration time is defined to control the transition from high to low resistivity regions. The model was previously applied to a single Hall thruster at its nominal operating condition, showing promising results that captured accurately the location of the thruster’s acceleration region. In this paper, we extend the use of this firstprinciples models to two additional thrusters, also considering multiple operating conditions for each of them. Numerical results are compared to experimental measurements obtained with non-invasive laser induced fluorescence. In general, the agreement between experiments and simulations is good. The model is able to predict the location of the acceleration region for all cases. We observe however that fine details, such as changes in the plasma potential gradient within the acceleration regions, are not captured. The model is also insensitive to changes in the magnetic field strength while experiments show that small shifts in location (of less than 5% of the acceleration channel length) occur. We plan to address the weaknesses of our method with the help of physical insight gained from kinetic simulations of the acceleration region.
Chaplin, Vernon H.↗
Particle Acceleration by Dense Impulsive Structures Moving in Ambient Magnetospheric Plasma. 3-D Hybrid Kinetic Modeling and MMS Observations
High resolution observations of dense plasma impulsive structures moving through an ambient background magnetospheric flows were captured by the Magnetospheric Multiscale mission. The observations show particle heating and acceleration, shock-like wave formation, and whistler wave excitation inside the interface between the dense impulsive plasma structures and the ambient plasma. A multiscale hybrid kinetic simulation provides an explanation of the observed wave-particle interactions with the assumption that the dense plasma structures may be represented by plasma clouds which are formed at the magnetopause layer due to reconnection processes. Plain Language Summary: Dense, impulsive plasma structures moving through a background plasma were captured by the NASA Magnetospheric Multiscale mission. The observations show that the dense structures can generate strong perturbations in the electromagnetic field and shock-like waves. Interactions between these electromagnetic waves and the particles results in particle acceleration. 3-D hybrid kinetic modeling (particle description for ions and fluid description for electrons) was used to investigate the plasma physics of the observed structures. It was assumed that the plasma clouds were formed by magnetic field reconnection inside the magnetopause, which is the interface between the solar wind particles and the cold low-density magnetospheric plasma. The work helps us understand the plasma environment at the interface between the Earth and solar wind, near planetary moons, within astrophysical explosions, and possibly at the interface between the solar wind and local interstellar medium.
A. S. Lipatov↗
Concerning the Charging of an Exploration Craft on and near a Small Asteroid
Introduction: An object immersed in an airless plasma environment will experience a natural process of surface charging in order to acheieve current balance, or zero net electric current to the object. It has been shown in recent computer simulations that the small-body plasma environment is very complex [1], considering effects of photoemission, topography, and formation of a plasma wake. For this work we consider an exploration craft (or astronaut) immersed within a plasma environment near an asteroid, which exhibits widely varying solar wind and photoelectric particle fluxes and continuously evolving illumination conditions. Objective: We aim to determine how an explo-ration craft or astronaut suit accumulates charge while located in the "nightside" asteroid wake where the particle fluxes are reduced, and in the dayside near-surface photoelectron sheath, by combining an object charging model [2] with kinetic simulations of a near-asteroid plasma environment [1]. We consider an astronaut floating near the asteroid while not in contact with the surface, as well as an astronaut moving along the surface using their hands/gloves to crawl along. Results: The modeling results suggest that remediation of triboelectric charge via accumulation of plasma currents is an important factor to consider when designing future NEA mission infrastructure, especially if repeated and frequent contact with the surface is planned. In shadowed regions such as the location shown in Fig. 1a, the plasma currents are so low (and the effective charge-remediation timescale so long, e.g. minutes to hours) that repeated contact with the surface tribocharges the glove in an uncontrollable fashion, as shown for two representative electron temperatures in Fig. 2a. The resulting buildup of significant negative charge would eventually initiate some other "current of last resort" [4] such as transport of positively-charged dust, field-emission from the glove, or significant alteration of environmental ion currents within the wake. In contrast, the few-meters-thick dayside photoelectron sheath in which the astronaut of Fig. 1b is immersed in is so rich in electrons (and hence so electrically conductive) that accumulated tribocharge dissipates almost instantaneously (e.g. in less than a ms) as shown in Fig. 2b. As our model astronaut orbits the NEA they would experience plasma currents and associated charge re-mediation times spanning many orders of magnitude, and the fusion between our numerical models provides a detailed understanding of the charging hazards possibly associated with contact-based NEA exploration.
Asteroid↗
Nonadiabatic electron heating at high-Mach-number perpendicular shocks
Fully kinetic simulations of high-Mach-number (HMN) perpendicular collisionless shocks are described. It is shown that electron acceleration in the cross-shock electron field can produce downstream electron temperature significantly higher than those expected for adiabatic compression. The momentum space for test electrons at Mach 6 is illustrated.
Tokar, R. L.↗
Interaction of two collisionless shocks
Kinetic simulations of the interaction between two collisionless shocks are presented. During the collision of two perpendicular shocks, the shock electromagnetic field structures pass through each other, while the previously shocked ions are kept separate by the electric field arising in the collision. When two supercritical shocks collide, a fraction of ions are accelerated up to an order of magnitude in energy by first being reflected at one shock, then interacting with the electric fields of the other shock.
Cargill, P. J.↗
Effects of equatorially trapped ions on refilling of the plasmasphere
The kinetic aspects of shock formation in response to the equatorial heating of ions are reported by means of small-scale kinetic simulations of countersteaming plasma flows along a spatially varying magnetic field having the features of the dipolar magnetic field lines. Attention is given to the trapping of the field-aligned flowing ions in response to the simulated equatorial heating of ions and the associated self-consistent structures in the electric potentials and the f-plasma flow pattern. Trapping is found to lead to the formation of electrostatic shocks, which propagate away from the 'equator' as seen in the hydrodynamic model of Singh and Torr (1990). The shocks form near the mirror points of the 'equatorially' heated ions. The second stage of the refilling with equatorially trapped ions is reported. A variety of structures in density and temperature distributions as the refilling proceeds slowly is found.
Singh, Nagendra↗