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The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show that a gridless method can be computed efficiently through the use of an Unequally Spaced Fast Fourier Transform (USFFT) algorithm. After a spectral field solve, the forces on the particles are calculated via the inverse USFFT (a rapid solution of an approximate linear system). We provide one and two dimensional implementations of this algorithm with an asymptotic runtime of $O(N_p + N_m^D log N_m^D)$ for each iteration, identical to the standard PIC algorithm (where $N_p$ is the number of particles and $N_m$ is the number of Fourier modes, and $D$ is the spatial dimensionality of the problem) We demonstrate superior energy conservation and reduced noise, as well as convergence of the energy conservation at small time steps.
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Upon inclusion of collisions, the speed-limited particle-in-cell (SLPIC) simulation method successfully computed the Paschen curve for argon. The simulations modelled an electron cascade across an argon-filled capacitor, including electron-neutral ionization, electron-neutral elastic collisions, electron-neutral excitation, and ion-induced secondary-electron emission. In electrical breakdown, the timescale difference between ion and electron motion makes traditional particle-in-cell (PIC) methods computationally slow. To decrease this timescale difference and speed up computation, we used SLPIC, a time-domain algorithm that limits the speed of the fastest electrons in the simulation. The SLPIC algorithm facilitates a straightforward, fully-kinetic treatment of dynamics, secondary emission, and collisions. SLPIC was as accurate as PIC, but ran up to 200 times faster. SLPIC accurately computed the Paschen curve for argon over three orders of magnitude in pressure.
Two counter-propagating cool and equally dense electron beams are modelled with particle-in-cell (PIC) simulations. The electron beam filamentation instability is examined in one spatial dimension, which is an approximation for a quasi-planar filament boundary. It is confirmed, that the force on the electrons imposed by the electrostatic field, which develops during the nonlinear stage of the instability, oscillates around a mean value that equals the magnetic pressure gradient force. The forces acting on the electrons due to the electrostatic and the magnetic field have a similar strength. The electrostatic field reduces the confining force close to the stable equilibrium of each filament and increases it farther away, limiting the peak density. The confining time-averaged total potential permits an overlap of current filaments with an opposite flow direction.
Warm dense matter (WDM) -- an exotic state of highly compressed matter -- has attracted high interest in recent years in astrophysics and for dense laboratory systems. At the same time, this state is extremely difficult to treat theoretically. This is due to the simultaneous appearance of quantum degeneracy, Coulomb correlations and thermal effects, as well as the overlap of plasma and condensed phases. Recent breakthroughs are due to the successful application of density functional theory (DFT) methods which, however, often lack the necessary accuracy and predictive capability for WDM applications. The situation has changed with the availability of the first textit{ab initio} data for the exchange-correlation free energy of the warm dense uniform electron gas (UEG) that were obtained by quantum Monte Carlo (QMC) simulations, for recent reviews, see Dornheim textit{et al.}, Phys. Plasmas textbf{24}, 056303 (2017) and Phys. Rep. textbf{744}, 1-86 (2018). In the present article we review recent further progress in QMC simulations of the warm dense UEG: namely, textit{ab initio} results for the static local field correction $G(q)$ and for the dynamic structure factor $S(q,omega)$. These data are of key relevance for the comparison with x-ray scattering experiments at free electron laser facilities and for the improvement of theoretical models. In the second part of this paper we discuss simulations of WDM out of equilibrium. The theoretical approaches include Born-Oppenheimer molecular dynamics, quantum kinetic theory, time-dependent DFT and hydrodynamics. Here we analyze strengths and limitations of these methods and argue that progress in WDM simulations will require a suitable combination of all methods. A particular role might be played by quantum hydrodynamics, and we concentrate on problems, recent progress, and possible improvements of this method.
The paper provides a tutorial to the conceptual layout of a self-consistently coupled Particle-In-Cell/Test-Particle model for the kinetic simulation of sputtering transport in capacitively coupled plasmas at low gas pressures. It explains when a kinetic approach is actually needed and which numerical concepts allow for the inherent nonequilibrium behavior of the charged and neutral particles. At the example of a generic sputtering discharge both the fundamentals of the applied Monte Carlo methods as well as the conceptual details in the context of the sputtering scenario are elaborated on. Finally, two in the context of sputtering transport simulations often exploited assumptions, namely on the energy distribution of impinging ions as well as on the test particle approach, are validated for the proposed example discharge.
We construct a particle integrator for nonrelativistic particles by means of the splitting method based on the exact flow of the equation of motion of particles in the presence of constant electric and magnetic field. This integrator is volume-preserving similar to the standard Boris integrator and is suitable for long-term integrations in particle-in-cell simulations. Numerical tests reveal that it is significantly more accurate than previous volume-preserving integrators with second-order accuracy. For example, in the $E times B$ drift test, this integrator is more accurate than the Boris integrator and the integrator based on the exact solution of gyro motion by three and two orders of magnitude, respectively. In addition, we derive approximate integrators that incur low computational cost and high-precision integrators displaying fourth- to tenth-order accuracy with the aid of the composition method. These integrators are also volume-preserving. It is also demonstrated that the Boris integrator is equivalent to the simplest case of the approximate integrators derived in this study.
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