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When should PIC simulations be applied to atmospheric pressure plasmas? Impact of correlation heating

Plasma Sources Science and Technology

Acciarri, Marco D.; Moore, Christopher H.; Beving, Lucas P.; Baalrud, Scott D.

Molecular dynamics simulations are used to test when the particle-in-cell (PIC) method applies to atmospheric pressure plasmas. It is found that PIC applies only when the plasma density and macroparticle weight are sufficiently small because of two effects associated with correlation heating. The first is the physical effect of disorder-induced heating (DIH). This occurs if the plasma density is large enough that a species (typically ions) is strongly correlated in the sense that the Coulomb coupling parameter exceeds one. In this situation, DIH causes ions to rapidly heat following ionization. PIC is not well suited to capture DIH because doing so requires using a macroparticle weight of one and a grid that well resolves the physical interparticle spacing. These criteria render PIC intractable for macroscale domains. The second effect is a numerical error due to Artificial Correlation Heating (ACH). ACH is like DIH in that it is caused by the Coulomb repulsion between particles, but differs in that it is a numerical effect caused by a macroparticle weight larger than one. Like DIH, it is associated with strong correlations. However, here the macroparticle coupling strength is found to scale as Γ w2/3, where Γ is the physical coupling strength and w is the macroparticle weight. So even if the physical coupling strength of a species is small, as is expected for electrons in atmospheric pressure plasmas, a sufficiently large macroparticle weight can cause the macroparticles to be strongly coupled and therefore heat due to ACH. Furthermore, it is shown that simulations in reduced dimensions exacerbate these issues.

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Electron-field instability: Excitation of electron plasma waves by an electric field

Physics of Plasmas

Beving, Lucas P.; Hopkins, Matthew M.; Baalrud, Scott D.

Electric fields are commonplace in plasmas and affect transport by driving currents and, in some cases, instabilities. The necessary condition for instability in collisionless plasmas is commonly understood to be described by the Penrose criterion, which quantifies a sufficient relative drift between different populations of particles that must be present for wave amplification via inverse Landau damping. For example, electric fields generate drifts between electrons and ions that can excite the ion-acoustic instability. Here, we use particle-in-cell simulations and linear stability analysis to show that the electric field can drive a fundamentally different type of kinetic instability, named the electron-field instability. This instability excites electron plasma waves with wavelengths ≳30λDe, has a growth rate that is proportional to the electric field strength, and does not require a relative drift between electrons and ions. The Penrose criterion does not apply when accounting for the electric field. Furthermore, the large value of the observed frequency, near the electron plasma frequency, further distinguishes it from the standard ion-acoustic instability, which oscillates near the ion plasma frequency. The ubiquity of macroscopic electric fields in quasineutral plasmas suggests that this instability is possible in a host of systems, including low-temperature and space plasmas. In fact, damping from neutral collisions in such systems is often not enough to completely damp the instability, adding to the robustness of the instability across plasma conditions.

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How sheath properties change with gas pressure: modeling and simulation

Plasma Sources Science and Technology

Beving, Lucas P.; Hopkins, Matthew M.; Baalrud, Scott D.

Particle-in-cell simulations are used to study how neutral pressure influences plasma properties at the sheath edge. The high rate of ion–neutral collisions at pressures above several mTorr are found to cause a decrease in the ion velocity at the sheath edge (collisional Bohm criterion), a decrease in the edge-to-center density ratio (hl factor), and an increase in the sheath width and sheath potential drop. A comparison with existing analytic models generally indicates favorable agreement, but with some distinctions. One is that models for the hl factor need to be made consistent with the collisional Bohm criterion. With this and similar corrections, a comprehensive fluid-based model of the plasma boundary transition is constructed that compares well with the simulation results.

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Simulations of ion heating due to ion-acoustic instabilities in presheaths

Physics of Plasmas

Beving, Lucas P.; Hopkins, Matthew M.; Baalrud, Scott D.

Particle-in-cell, direct simulation Monte Carlo simulations reveal that ion-acoustic instabilities excited in presheaths can cause significant ion heating. Ion-acoustic instabilities are excited by the ion flow toward a sheath when the neutral gas pressure is small enough and the electron temperature is large enough. A series of 1D simulations were conducted in which neutral plasma (electrons and ions) was uniformly sourced with an ion temperature of 0.026 eV and different electron temperatures (0.1 eV-50 eV). Ion heating was observed when the electron-to-ion temperature ratio exceeded the minimum value predicted by linear response theory to excite ion-acoustic instabilities at the sheath edge (T e / T i ≈ 28). When this threshold was exceeded, the temperature equilibration rate between ions and electrons rapidly increased near the sheath so that the local temperature ratio did not significantly exceed the threshold for instability. This resulted in significant ion heating near the sheath edge, which also extended back into the bulk plasma; presumably due to wave reflection from the sheath. This ion-acoustic wave heating mechanism was found to decrease for higher neutral pressures, where ion-neutral collisions damp the ion-acoustic waves and ion heating is instead dominated by inelastic collisions in the presheath.

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Simulating Boundary Region Plasma Instabilities

Beving, Lucas P.; Hopkins, Matthew M.; Baalrud, Scott D.

The boundary regions of low-temperature plasmas are known to be susceptible to kinetic instabilities, which can affect the energies and fluxes of particles directed at the material boundary. For example, both the ion acoustic instability as well as an instability near the electron plasma frequency have been observed. Particle-in-cell (PIC) simulation is a tool that, alongside experiments, can capture the effects these instabilities have on the particle distribution functions. Ultimately, simulations can determine under what conditions these effects are significant by comparing to theoretical predictions and explore conditions unamenable to experiments.

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7 Results
7 Results